# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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#  data retrieval see:
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#  from this site to visualise CIF-encoded structures and 
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data_A_100K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0765(5)
_cell_length_b                   16.3158(5)
_cell_length_c                   25.6800(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.416(4)
_cell_angle_gamma                90.00
_cell_volume                     8354.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.01(15)
_cell_measurement_reflns_used    19879
_cell_measurement_theta_min      3.3040
_cell_measurement_theta_max      29.4130

_exptl_crystal_description       block-like
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.167
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.80965
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100.01(15)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19300
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7157
_reflns_number_gt                6525
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0369P)²+34.6944P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7157
_refine_ls_number_parameters     616
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0300
_refine_ls_wR_factor_ref         0.0758
_refine_ls_wR_factor_gt          0.0732
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.177200(15) 1.24959(2) -0.132587(13) 0.01787(9) Uani 1 1 d . . .
Ag2 Ag 0.343480(14) 1.45725(2) 0.367674(13) 0.01576(9) Uani 1 1 d . . .
C21 C 0.00206(19) 1.3827(2) -0.00329(17) 0.0132(8) Uani 1 1 d . . .
H21A H 0.0215 1.3818 0.0368 0.016 Uiso 1 1 calc R . .
C22 C 0.03290(19) 1.8120(2) 0.41119(17) 0.0141(8) Uani 1 1 d . . .
H22A H 0.0544 1.7905 0.3900 0.017 Uiso 1 1 calc R . .
C23 C 0.12390(18) 1.7575(2) 0.50268(17) 0.0107(8) Uani 1 1 d . . .
C24 C 0.05978(18) 1.8021(2) 0.47046(17) 0.0118(8) Uani 1 1 d . . .
C25 C 0.27750(19) 1.6369(2) 0.00955(18) 0.0147(8) Uani 1 1 d . . .
H25A H 0.2983 1.6338 0.0496 0.018 Uiso 1 1 calc R . .
C26 C 0.23588(19) 1.5667(2) 0.38856(17) 0.0139(8) Uani 1 1 d . . .
H26A H 0.2140 1.5604 0.3488 0.017 Uiso 1 1 calc R . .
C27 C 0.21950(19) 1.6505(2) -0.10753(18) 0.0136(8) Uani 1 1 d . . .
H27A H 0.1993 1.6553 -0.1475 0.016 Uiso 1 1 calc R . .
C28 C -0.05734(19) 1.3424(2) -0.03449(18) 0.0138(8) Uani 1 1 d . . .
H28A H -0.0777 1.3152 -0.0144 0.017 Uiso 1 1 calc R . .
C30 C 0.09703(18) 1.4686(2) 0.00150(17) 0.0103(8) Uani 1 1 d . . .
C32 C 0.02603(19) 1.8362(3) 0.50012(18) 0.0154(8) Uani 1 1 d . . .
H32A H 0.0436 1.8320 0.5400 0.018 Uiso 1 1 calc R . .
C33 C 0.20969(18) 1.7263(2) 0.58792(17) 0.0119(8) Uani 1 1 d . . .
C36 C -0.03372(19) 1.8761(3) 0.46948(18) 0.0171(9) Uani 1 1 d . . .
H36A H -0.0563 1.8979 0.4896 0.020 Uiso 1 1 calc R . .
C37 C 0.03248(18) 1.4247(2) -0.03260(17) 0.0109(8) Uani 1 1 d . . .
C38 C 0.3058(2) 1.5069(3) 0.24289(19) 0.0199(9) Uani 1 1 d . . .
H38A H 0.3498 1.5243 0.2638 0.024 Uiso 1 1 calc R . .
C39 C 0.21522(18) 1.5998(2) -0.02187(17) 0.0124(8) Uani 1 1 d . . .
C40 C 0.1774(2) 1.4567(3) 0.18173(18) 0.0172(9) Uani 1 1 d . . .
H40A H 0.1334 1.4386 0.1618 0.021 Uiso 1 1 calc R . .
C41 C 0.00162(19) 1.4245(3) -0.09251(17) 0.0148(8) Uani 1 1 d . . .
H41A H 0.0202 1.4532 -0.1134 0.018 Uiso 1 1 calc R . .
C42 C 0.32611(19) 1.5406(2) 0.47437(17) 0.0124(8) Uani 1 1 d . . .
H42A H 0.3678 1.5164 0.4948 0.015 Uiso 1 1 calc R . .
C43 C 0.24281(19) 1.7361(2) 0.65192(17) 0.0135(8) Uani 1 1 d . . .
C44 C 0.3266(2) 1.7025(3) 0.74469(19) 0.0212(10) Uani 1 1 d . . .
H44A H 0.3653 1.6734 0.7672 0.025 Uiso 1 1 calc R . .
C45 C 0.30760(19) 1.6787(2) -0.02037(18) 0.0150(9) Uani 1 1 d . . .
H45A H 0.3490 1.7034 0.0006 0.018 Uiso 1 1 calc R . .
C46 C 0.29848(18) 1.5844(2) 0.50512(17) 0.0124(8) Uani 1 1 d . . .
H46A H 0.3209 1.5886 0.5450 0.015 Uiso 1 1 calc R . .
C47 C -0.02652(19) 1.8545(3) 0.38442(18) 0.0165(9) Uani 1 1 d . . .
H47A H -0.0436 1.8625 0.3448 0.020 Uiso 1 1 calc R . .
C48 C 0.17909(18) 1.5021(2) 0.08844(17) 0.0126(8) Uani 1 1 d . . .
C49 C 0.20600(18) 1.6727(2) 0.50572(17) 0.0109(8) Uani 1 1 d . . .
C50 C -0.05727(19) 1.3810(2) -0.12033(18) 0.0153(9) Uani 1 1 d . . .
H50A H -0.0770 1.3798 -0.1604 0.018 Uiso 1 1 calc R . .
C51 C 0.2768(2) 1.5177(3) 0.18374(18) 0.0179(9) Uani 1 1 d . . .
H51A H 0.3010 1.5412 0.1655 0.021 Uiso 1 1 calc R . .
C52 C 0.18585(18) 1.6080(2) -0.08147(17) 0.0116(8) Uani 1 1 d . . .
H52A H 0.1440 1.5851 -0.1036 0.014 Uiso 1 1 calc R . .
C53 C 0.18198(18) 1.5504(2) 0.00718(17) 0.0110(8) Uani 1 1 d . . .
C54 C 0.2102(2) 1.4482(3) 0.24074(18) 0.0202(9) Uani 1 1 d . . .
H54A H 0.1873 1.4245 0.2600 0.024 Uiso 1 1 calc R . .
C55 C 0.23636(18) 1.6220(2) 0.47502(17) 0.0121(8) Uani 1 1 d . . .
C56 C 0.21073(19) 1.4928(2) 0.15211(17) 0.0145(8) Uani 1 1 d . . .
C58 C 0.20471(19) 1.6117(2) 0.41534(17) 0.0130(8) Uani 1 1 d . . .
H58A H 0.1629 1.6351 0.3938 0.016 Uiso 1 1 calc R . .
C59 C 0.2151(2) 1.7878(3) 0.67851(18) 0.0181(9) Uani 1 1 d . . .
H59A H 0.1773 1.8188 0.6567 0.022 Uiso 1 1 calc R . .
C60 C 0.2444(2) 1.7929(3) 0.73784(19) 0.0204(9) Uani 1 1 d . . .
H60A H 0.2255 1.8280 0.7553 0.024 Uiso 1 1 calc R . .
C61 C 0.3012(2) 1.6945(3) 0.68564(18) 0.0169(9) Uani 1 1 d . . .
H61A H 0.3227 1.6621 0.6689 0.020 Uiso 1 1 calc R . .
N1 N -0.08766(16) 1.3401(2) -0.09254(15) 0.0139(7) Uani 1 1 d . . .
N2 N 0.27410(17) 1.4726(2) 0.27180(15) 0.0188(8) Uani 1 1 d . . .
N3 N 0.27963(16) 1.68523(19) -0.07840(15) 0.0130(7) Uani 1 1 d . . .
N4 N 0.12583(15) 1.5094(2) -0.02662(14) 0.0124(7) Uani 1 1 d . . .
N5 N 0.12131(15) 1.4620(2) 0.05897(14) 0.0128(7) Uani 1 1 d . . .
N6 N 0.21046(16) 1.5488(2) 0.06488(14) 0.0139(7) Uani 1 1 d . . .
N7 N 0.29632(15) 1.5311(2) 0.41691(14) 0.0122(7) Uani 1 1 d . . .
N8 N -0.06114(16) 1.8851(2) 0.41184(15) 0.0145(7) Uani 1 1 d . . .
N9 N 0.29904(17) 1.7494(2) 0.77171(15) 0.0189(8) Uani 1 1 d . . .
N10 N 0.14806(15) 1.7105(2) 0.47292(14) 0.0118(7) Uani 1 1 d . . .
N11 N 0.15314(15) 1.7683(2) 0.55984(14) 0.0128(7) Uani 1 1 d . . .
N12 N 0.23848(15) 1.6773(2) 0.56333(14) 0.0115(7) Uani 1 1 d . . .
Mo1 Mo 0.5000 1.46345(4) 0.2500 0.02750(15) Uani 1 2 d S . .
Mo2 Mo 0.497785(16) 1.58688(2) 0.360431(14) 0.01240(9) Uani 1 1 d . . .
Mo3 Mo 0.488833(16) 1.79132(2) 0.356519(14) 0.01148(9) Uani 1 1 d . . .
Mo4 Mo 0.5000 1.90013(3) 0.2500 0.01678(12) Uani 1 2 d S . .
Mo5 Mo 0.408560(16) 1.69242(2) 0.209286(15) 0.01125(9) Uani 1 1 d . . .
O1 O 0.5615(2) 1.3999(3) 0.2956(2) 0.0614(13) Uani 1 1 d . . .
O2 O 0.46259(15) 1.51334(18) 0.29279(13) 0.0228(7) Uani 1 1 d . . .
O3 O 0.55209(14) 1.52264(19) 0.41165(13) 0.0234(7) Uani 1 1 d . . .
O4 O 0.42634(14) 1.58240(19) 0.37081(13) 0.0237(7) Uani 1 1 d . . .
O5 O 0.53351(14) 1.68947(18) 0.39218(12) 0.0188(6) Uani 1 1 d . . .
O6 O 0.44393(17) 1.68508(19) 0.28594(13) 0.0284(8) Uani 1 1 d . . .
O7 O 0.42167(14) 1.78734(19) 0.37269(14) 0.0238(7) Uani 1 1 d . . .
O8 O 0.54188(15) 1.85726(19) 0.40568(13) 0.0240(7) Uani 1 1 d . . .
O9 O 0.42804(17) 1.6027(2) 0.18056(16) 0.0340(8) Uani 1 1 d . . .
O10 O 0.32338(14) 1.69845(19) 0.18113(15) 0.0288(8) Uani 1 1 d . . .
O11 O 0.44904(14) 1.85831(17) 0.28793(12) 0.0188(6) Uani 1 1 d . . .
O12 O 0.43929(14) 1.78214(18) 0.18781(13) 0.0200(6) Uani 1 1 d . . .
O13 O 0.55669(15) 1.96360(19) 0.29996(14) 0.0261(7) Uani 1 1 d . . .
O14 O 0.5994(4) 2.1143(5) 0.2670(3) 0.0418(19) Uani 0.50 1 d P . .
H14A H 0.5707 2.1517 0.2623 0.063 Uiso 0.50 1 d PR . .
H14B H 0.5860 2.0704 0.2765 0.063 Uiso 0.50 1 d PR . .
O15 O 0.5000 1.2463(12) 0.2500 0.112(6) Uiso 0.50 2 d SP . .
H15A H 0.5293 1.2093 0.2555 0.168 Uiso 0.25 1 d PR . .
H15B H 0.5201 1.2908 0.2645 0.168 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N3 2.255(3) 3_445 ?
Ag1 N9 2.282(4) 3_444 ?
Ag1 N1 2.324(3) . ?
Ag2 N8 2.249(3) 3_545 ?
Ag2 N2 2.288(3) . ?
Ag2 N7 2.294(3) . ?
C21 C28 1.376(6) . ?
C21 C37 1.386(5) . ?
C22 C47 1.379(6) . ?
C22 C24 1.386(6) . ?
C23 N11 1.338(5) . ?
C23 N10 1.344(5) . ?
C23 C24 1.488(5) . ?
C24 C32 1.390(5) . ?
C25 C45 1.391(6) . ?
C25 C39 1.399(6) . ?
C26 N7 1.347(5) . ?
C26 C58 1.376(6) . ?
C27 N3 1.338(5) . ?
C27 C52 1.381(5) . ?
C28 N1 1.347(5) . ?
C30 N4 1.328(5) . ?
C30 N5 1.341(5) . ?
C30 C37 1.496(5) . ?
C32 C36 1.376(6) . ?
C33 N11 1.333(5) . ?
C33 N12 1.337(5) . ?
C33 C43 1.493(5) . ?
C36 N8 1.345(5) . ?
C37 C41 1.390(6) . ?
C38 N2 1.341(6) . ?
C38 C51 1.383(6) . ?
C39 C52 1.389(6) . ?
C39 C53 1.488(5) . ?
C40 C54 1.378(6) . ?
C40 C56 1.395(6) . ?
C41 C50 1.382(6) . ?
C42 N7 1.342(5) . ?
C42 C46 1.385(5) . ?
C43 C61 1.382(6) . ?
C43 C59 1.382(6) . ?
C44 N9 1.342(6) . ?
C44 C61 1.379(6) . ?
C45 N3 1.350(5) . ?
C46 C55 1.395(5) . ?
C47 N8 1.338(5) . ?
C48 N6 1.336(5) . ?
C48 N5 1.341(5) . ?
C48 C56 1.485(6) . ?
C49 N10 1.342(5) . ?
C49 N12 1.341(5) . ?
C49 C55 1.486(5) . ?
C50 N1 1.347(5) . ?
C51 C56 1.391(6) . ?
C53 N6 1.339(5) . ?
C53 N4 1.347(5) . ?
C54 N2 1.349(6) . ?
C55 C58 1.395(6) . ?
C59 C60 1.379(6) . ?
C60 N9 1.347(6) . ?
N3 Ag1 2.255(3) 3 ?
N8 Ag2 2.249(3) 3_455 ?
N9 Ag1 2.282(4) 3_556 ?
Mo1 O1 1.710(4) 2_655 ?
Mo1 O1 1.710(4) . ?
Mo1 O2 1.825(3) . ?
Mo1 O2 1.825(3) 2_655 ?
Mo2 O3 1.706(3) . ?
Mo2 O4 1.710(3) . ?
Mo2 O5 1.881(3) . ?
Mo2 O2 1.975(3) . ?
Mo2 O9 2.310(3) 2_655 ?
Mo2 O6 2.385(3) . ?
Mo3 O8 1.689(3) . ?
Mo3 O7 1.704(3) . ?
Mo3 O11 1.934(3) . ?
Mo3 O5 1.949(3) . ?
Mo3 O12 2.321(3) 2_655 ?
Mo3 O6 2.394(3) . ?
Mo4 O13 1.705(3) . ?
Mo4 O13 1.705(3) 2_655 ?
Mo4 O11 1.903(3) 2_655 ?
Mo4 O11 1.903(3) . ?
Mo4 O12 2.493(3) . ?
Mo4 O12 2.493(3) 2_655 ?
Mo5 O10 1.703(3) . ?
Mo5 O9 1.773(3) . ?
Mo5 O6 1.783(3) . ?
Mo5 O12 1.797(3) . ?
O9 Mo2 2.310(3) 2_655 ?
O12 Mo3 2.321(3) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Ag1 N9 134.52(12) 3_445 3_444 ?
N3 Ag1 N1 121.82(12) 3_445 . ?
N9 Ag1 N1 103.65(12) 3_444 . ?
N8 Ag2 N2 130.51(12) 3_545 . ?
N8 Ag2 N7 123.03(12) 3_545 . ?
N2 Ag2 N7 106.45(12) . . ?
C28 C21 C37 118.9(4) . . ?
C47 C22 C24 118.3(4) . . ?
N11 C23 N10 125.2(3) . . ?
N11 C23 C24 116.2(3) . . ?
N10 C23 C24 118.5(3) . . ?
C22 C24 C32 118.5(4) . . ?
C22 C24 C23 121.7(3) . . ?
C32 C24 C23 119.8(4) . . ?
C45 C25 C39 118.6(4) . . ?
N7 C26 C58 123.5(4) . . ?
N3 C27 C52 123.5(4) . . ?
N1 C28 C21 123.7(4) . . ?
N4 C30 N5 125.5(4) . . ?
N4 C30 C37 118.7(3) . . ?
N5 C30 C37 115.9(3) . . ?
C36 C32 C24 118.9(4) . . ?
N11 C33 N12 125.3(4) . . ?
N11 C33 C43 116.3(3) . . ?
N12 C33 C43 118.5(3) . . ?
N8 C36 C32 123.3(4) . . ?
C21 C37 C41 118.6(4) . . ?
C21 C37 C30 118.7(3) . . ?
C41 C37 C30 122.7(3) . . ?
N2 C38 C51 123.8(4) . . ?
C52 C39 C25 118.2(4) . . ?
C52 C39 C53 120.5(3) . . ?
C25 C39 C53 121.3(4) . . ?
C54 C40 C56 119.4(4) . . ?
C50 C41 C37 118.6(4) . . ?
N7 C42 C46 124.0(4) . . ?
C61 C43 C59 118.7(4) . . ?
C61 C43 C33 121.4(4) . . ?
C59 C43 C33 119.8(4) . . ?
N9 C44 C61 124.2(4) . . ?
N3 C45 C25 123.2(4) . . ?
C42 C46 C55 118.7(4) . . ?
N8 C47 C22 124.1(4) . . ?
N6 C48 N5 125.1(4) . . ?
N6 C48 C56 117.8(3) . . ?
N5 C48 C56 117.1(3) . . ?
N10 C49 N12 125.5(4) . . ?
N10 C49 C55 116.6(3) . . ?
N12 C49 C55 117.8(3) . . ?
N1 C50 C41 123.6(4) . . ?
C38 C51 C56 118.6(4) . . ?
C27 C52 C39 119.2(4) . . ?
N6 C53 N4 124.6(4) . . ?
N6 C53 C39 117.9(3) . . ?
N4 C53 C39 117.5(3) . . ?
N2 C54 C40 122.9(4) . . ?
C46 C55 C58 117.8(4) . . ?
C46 C55 C49 120.7(4) . . ?
C58 C55 C49 121.5(3) . . ?
C51 C56 C40 118.1(4) . . ?
C51 C56 C48 119.5(4) . . ?
C40 C56 C48 122.3(4) . . ?
C26 C58 C55 119.4(4) . . ?
C60 C59 C43 119.1(4) . . ?
N9 C60 C59 123.2(4) . . ?
C43 C61 C44 118.2(4) . . ?
C28 N1 C50 116.6(3) . . ?
C28 N1 Ag1 115.6(3) . . ?
C50 N1 Ag1 127.1(3) . . ?
C38 N2 C54 117.2(4) . . ?
C38 N2 Ag2 112.0(3) . . ?
C54 N2 Ag2 130.6(3) . . ?
C27 N3 C45 117.3(3) . . ?
C27 N3 Ag1 115.6(3) . 3 ?
C45 N3 Ag1 127.1(3) . 3 ?
C30 N4 C53 114.9(3) . . ?
C48 N5 C30 114.6(3) . . ?
C48 N6 C53 115.1(3) . . ?
C42 N7 C26 116.6(3) . . ?
C42 N7 Ag2 122.9(3) . . ?
C26 N7 Ag2 120.5(3) . . ?
C47 N8 C36 116.7(3) . . ?
C47 N8 Ag2 123.5(3) . 3_455 ?
C36 N8 Ag2 119.6(3) . 3_455 ?
C44 N9 C60 116.5(4) . . ?
C44 N9 Ag1 127.7(3) . 3_556 ?
C60 N9 Ag1 115.0(3) . 3_556 ?
C49 N10 C23 114.1(3) . . ?
C33 N11 C23 115.1(3) . . ?
C33 N12 C49 114.6(3) . . ?
O1 Mo1 O1 105.3(4) 2_655 . ?
O1 Mo1 O2 104.58(16) 2_655 . ?
O1 Mo1 O2 106.81(17) . . ?
O1 Mo1 O2 106.81(17) 2_655 2_655 ?
O1 Mo1 O2 104.58(16) . 2_655 ?
O2 Mo1 O2 127.03(19) . 2_655 ?
O3 Mo2 O4 104.09(15) . . ?
O3 Mo2 O5 100.80(14) . . ?
O4 Mo2 O5 102.34(13) . . ?
O3 Mo2 O2 100.71(14) . . ?
O4 Mo2 O2 94.02(14) . . ?
O5 Mo2 O2 148.80(13) . . ?
O3 Mo2 O9 91.10(13) . 2_655 ?
O4 Mo2 O9 163.20(14) . 2_655 ?
O5 Mo2 O9 81.40(13) . 2_655 ?
O2 Mo2 O9 75.85(13) . 2_655 ?
O3 Mo2 O6 166.98(13) . . ?
O4 Mo2 O6 88.74(14) . . ?
O5 Mo2 O6 73.84(11) . . ?
O2 Mo2 O6 80.23(11) . . ?
O9 Mo2 O6 76.47(12) 2_655 . ?
O8 Mo3 O7 103.81(15) . . ?
O8 Mo3 O11 102.65(14) . . ?
O7 Mo3 O11 98.09(13) . . ?
O8 Mo3 O5 98.23(14) . . ?
O7 Mo3 O5 99.83(13) . . ?
O11 Mo3 O5 148.25(12) . . ?
O8 Mo3 O12 90.41(12) . 2_655 ?
O7 Mo3 O12 165.16(13) . 2_655 ?
O11 Mo3 O12 74.26(11) . 2_655 ?
O5 Mo3 O12 82.00(11) . 2_655 ?
O8 Mo3 O6 162.95(13) . . ?
O7 Mo3 O6 92.06(14) . . ?
O11 Mo3 O6 80.85(11) . . ?
O5 Mo3 O6 72.54(11) . . ?
O12 Mo3 O6 74.34(11) 2_655 . ?
O13 Mo4 O13 105.2(2) . 2_655 ?
O13 Mo4 O11 101.46(13) . 2_655 ?
O13 Mo4 O11 103.70(14) 2_655 2_655 ?
O13 Mo4 O11 103.70(14) . . ?
O13 Mo4 O11 101.46(13) 2_655 . ?
O11 Mo4 O11 137.97(17) 2_655 . ?
O13 Mo4 O12 166.00(13) . . ?
O13 Mo4 O12 88.15(13) 2_655 . ?
O11 Mo4 O12 70.65(10) 2_655 . ?
O11 Mo4 O12 77.15(11) . . ?
O13 Mo4 O12 88.15(13) . 2_655 ?
O13 Mo4 O12 166.00(13) 2_655 2_655 ?
O11 Mo4 O12 77.15(11) 2_655 2_655 ?
O11 Mo4 O12 70.65(10) . 2_655 ?
O12 Mo4 O12 78.90(14) . 2_655 ?
O10 Mo5 O9 106.96(16) . . ?
O10 Mo5 O6 110.67(17) . . ?
O9 Mo5 O6 109.54(16) . . ?
O10 Mo5 O12 108.43(14) . . ?
O9 Mo5 O12 110.72(14) . . ?
O6 Mo5 O12 110.45(14) . . ?
Mo1 O2 Mo2 133.75(17) . . ?
Mo2 O5 Mo3 121.45(15) . . ?
Mo5 O6 Mo2 139.63(17) . . ?
Mo5 O6 Mo3 129.05(16) . . ?
Mo2 O6 Mo3 88.70(10) . . ?
Mo5 O9 Mo2 128.91(16) . 2_655 ?
Mo4 O11 Mo3 122.11(14) . . ?
Mo5 O12 Mo3 129.11(15) . 2_655 ?
Mo5 O12 Mo4 127.05(15) . . ?
Mo3 O12 Mo4 88.38(9) 2_655 . ?

_diffrn_measured_fraction_theta_max 0.970
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.970
_refine_diff_density_max         1.709
_refine_diff_density_min         -1.843
_refine_diff_density_rms         0.128
_database_code_depnum_ccdc_archive 'CCDC 956831'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_130K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0600(5)
_cell_length_b                   16.3472(5)
_cell_length_c                   25.6770(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.392(4)
_cell_angle_gamma                90.00
_cell_volume                     8365.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    130.01(10)
_cell_measurement_reflns_used    19686
_cell_measurement_theta_min      3.3090
_cell_measurement_theta_max      29.3600

_exptl_crystal_description       block-like
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.74368
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      130.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19359
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7170
_reflns_number_gt                6441
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0287P)²+0.7860P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7170
_refine_ls_number_parameters     611
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0296
_refine_ls_wR_factor_ref         0.0725
_refine_ls_wR_factor_gt          0.0693
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_restrained_S_all      1.086
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.343704(13) 0.04236(2) 0.367833(13) 0.01856(9) Uani 1 1 d . . .
Ag2 Ag 0.822923(14) 0.25016(2) 0.867488(14) 0.02106(9) Uani 1 1 d . . .
Mo1 Mo 0.5000 0.03715(4) 0.2500 0.02973(15) Uani 1 2 d S . .
Mo2 Mo 0.498031(15) -0.08736(2) 0.360390(15) 0.01401(9) Uani 1 1 d . . .
Mo3 Mo 0.488845(15) -0.29134(2) 0.356413(15) 0.01342(9) Uani 1 1 d . . .
Mo4 Mo 0.5000 -0.40067(3) 0.2500 0.01953(13) Uani 1 2 d S . .
Mo5 Mo 0.591540(15) -0.19286(2) 0.290852(15) 0.01274(9) Uani 1 1 d . . .
C18 C 0.62415(17) 0.2430(2) 0.50266(17) 0.0116(8) Uani 1 1 d . . .
C20 C 0.73576(18) 0.4332(2) 0.38850(18) 0.0162(9) Uani 1 1 d . . .
H20A H 0.7141 0.4388 0.3486 0.019 Uiso 1 1 calc R . .
C22 C 1.00229(17) 0.1172(2) 0.99677(18) 0.0153(9) Uani 1 1 d . . .
H22A H 1.0219 0.1180 1.0369 0.018 Uiso 1 1 calc R . .
C23 C 1.21942(17) -0.1504(2) 0.89267(18) 0.0168(9) Uani 1 1 d . . .
H23A H 1.1991 -0.1550 0.8527 0.020 Uiso 1 1 calc R . .
C26 C 0.55995(17) 0.1978(2) 0.47058(17) 0.0128(8) Uani 1 1 d . . .
C27 C 0.53309(18) 0.1884(2) 0.41143(18) 0.0171(9) Uani 1 1 d . . .
H27A H 0.5545 0.2102 0.3903 0.020 Uiso 1 1 calc R . .
C30 C 1.27766(18) -0.1374(2) 1.00950(18) 0.0184(9) Uani 1 1 d . . .
H30A H 1.2985 -0.1347 1.0495 0.022 Uiso 1 1 calc R . .
C31 C 0.52626(18) 0.1640(3) 0.50017(18) 0.0167(9) Uani 1 1 d . . .
H31A H 0.5438 0.1685 0.5401 0.020 Uiso 1 1 calc R . .
C32 C 0.94293(17) 0.1577(2) 0.96580(17) 0.0145(8) Uani 1 1 d . . .
H32A H 0.9226 0.1850 0.9859 0.017 Uiso 1 1 calc R . .
C33 C 1.09719(17) 0.0308(2) 1.00141(17) 0.0124(8) Uani 1 1 d . . .
C34 C 0.70980(17) 0.2735(2) 0.58774(17) 0.0130(8) Uani 1 1 d . . .
C35 C 0.74292(17) 0.2633(2) 0.65184(17) 0.0144(9) Uani 1 1 d . . .
C36 C 1.17763(18) 0.0429(3) 1.18162(18) 0.0194(9) Uani 1 1 d . . .
H36A H 1.1336 0.0606 1.1617 0.023 Uiso 1 1 calc R . .
C37 C 1.30583(19) -0.0068(3) 1.24288(19) 0.0226(10) Uani 1 1 d . . .
H37A H 1.3500 -0.0239 1.2638 0.027 Uiso 1 1 calc R . .
C39 C 0.70614(17) 0.3274(2) 0.50561(17) 0.0123(8) Uani 1 1 d . . .
C40 C 0.46659(18) 0.1237(3) 0.46983(18) 0.0200(9) Uani 1 1 d . . .
H40A H 0.4442 0.1016 0.4901 0.024 Uiso 1 1 calc R . .
C41 C 1.17946(17) -0.0021(2) 1.08865(17) 0.0136(8) Uani 1 1 d . . .
C42 C 0.79854(17) 0.4159(2) 0.50537(17) 0.0131(8) Uani 1 1 d . . .
H42A H 0.8208 0.4121 0.5453 0.016 Uiso 1 1 calc R . .
C43 C 1.18197(17) -0.0507(2) 1.00724(17) 0.0117(8) Uani 1 1 d . . .
C44 C 1.21506(17) -0.1000(2) 0.97804(17) 0.0137(8) Uani 1 1 d . . .
C45 C 0.82601(18) 0.4592(2) 0.47437(17) 0.0145(9) Uani 1 1 d . . .
H45A H 0.8679 0.4831 0.4947 0.017 Uiso 1 1 calc R . .
C46 C 1.21051(19) 0.0516(3) 1.24065(18) 0.0222(10) Uani 1 1 d . . .
H46A H 1.1876 0.0755 1.2598 0.027 Uiso 1 1 calc R . .
C47 C 1.03250(17) 0.0752(2) 0.96725(17) 0.0118(8) Uani 1 1 d . . .
C48 C 1.00189(18) 0.0751(3) 0.90760(18) 0.0167(9) Uani 1 1 d . . .
H48A H 1.0204 0.0462 0.8867 0.020 Uiso 1 1 calc R . .
C49 C 1.30755(18) -0.1783(2) 0.97951(19) 0.0177(9) Uani 1 1 d . . .
H49A H 1.3492 -0.2023 1.0005 0.021 Uiso 1 1 calc R . .
C50 C 0.8268(2) 0.2971(3) 0.74475(19) 0.0243(10) Uani 1 1 d . . .
H50A H 0.8656 0.3259 0.7674 0.029 Uiso 1 1 calc R . .
C51 C 0.47336(17) 0.1455(3) 0.38451(18) 0.0175(9) Uani 1 1 d . . .
H51A H 0.4562 0.1376 0.3449 0.021 Uiso 1 1 calc R . .
C52 C 0.73629(16) 0.3778(2) 0.47503(17) 0.0125(8) Uani 1 1 d . . .
C53 C 0.94299(18) 0.1190(3) 0.87972(18) 0.0184(9) Uani 1 1 d . . .
H53A H 0.9233 0.1204 0.8396 0.022 Uiso 1 1 calc R . .
C54 C 1.18613(17) -0.1081(2) 0.91859(17) 0.0128(8) Uani 1 1 d . . .
H54A H 1.1444 -0.0851 0.8964 0.015 Uiso 1 1 calc R . .
C55 C 1.27721(18) -0.0182(3) 1.18392(19) 0.0198(9) Uani 1 1 d . . .
H55A H 1.3013 -0.0421 1.1658 0.024 Uiso 1 1 calc R . .
C56 C 0.70468(17) 0.3888(2) 0.41552(17) 0.0135(8) Uani 1 1 d . . .
H56A H 0.6626 0.3661 0.3941 0.016 Uiso 1 1 calc R . .
C57 C 0.71527(19) 0.2118(3) 0.67860(18) 0.0208(10) Uani 1 1 d . . .
H57A H 0.6773 0.1811 0.6569 0.025 Uiso 1 1 calc R . .
C58 C 1.21098(18) 0.0073(2) 1.15224(18) 0.0161(9) Uani 1 1 d . . .
C59 C 0.74494(19) 0.2068(3) 0.73787(19) 0.0219(10) Uani 1 1 d . . .
H59A H 0.7263 0.1714 0.7554 0.026 Uiso 1 1 calc R . .
C60 C 0.80145(18) 0.3055(3) 0.68546(18) 0.0185(9) Uani 1 1 d . . .
H60A H 0.8228 0.3382 0.6688 0.022 Uiso 1 1 calc R . .
N1 N 0.43914(14) 0.1150(2) 0.41198(15) 0.0175(8) Uani 1 1 d . . .
N2 N 0.79628(14) 0.46908(19) 0.41715(14) 0.0130(7) Uani 1 1 d . . .
N3 N 0.79922(16) 0.2503(2) 0.77162(15) 0.0208(8) Uani 1 1 d . . .
N4 N 0.64795(14) 0.2891(2) 0.47297(14) 0.0127(7) Uani 1 1 d . . .
N5 N 0.73850(14) 0.32277(19) 0.56330(14) 0.0129(7) Uani 1 1 d . . .
N6 N 0.65326(14) 0.2314(2) 0.55986(14) 0.0139(7) Uani 1 1 d . . .
N7 N 0.91278(14) 0.1597(2) 0.90782(15) 0.0169(7) Uani 1 1 d . . .
N8 N 1.27981(14) -0.18542(19) 0.92177(15) 0.0141(7) Uani 1 1 d . . .
N9 N 1.27458(15) 0.0270(2) 1.27197(15) 0.0203(8) Uani 1 1 d . . .
N10 N 1.12602(14) -0.0096(2) 0.97325(14) 0.0133(7) Uani 1 1 d . . .
N11 N 1.21071(14) -0.0491(2) 1.06479(15) 0.0162(7) Uani 1 1 d . . .
N12 N 1.12166(14) 0.03776(19) 1.05930(14) 0.0132(7) Uani 1 1 d . . .
O1 O 0.5617(2) 0.1002(3) 0.2954(2) 0.0718(15) Uani 1 1 d . . .
O2 O 0.46343(13) -0.01366(18) 0.29307(12) 0.0243(7) Uani 1 1 d . . .
O3 O 0.55215(13) -0.02341(19) 0.41170(13) 0.0272(7) Uani 1 1 d . . .
O4 O 0.42643(12) -0.08245(19) 0.37034(13) 0.0253(7) Uani 1 1 d . . .
O5 O 0.57297(15) -0.10344(19) 0.32046(15) 0.0335(8) Uani 1 1 d . . .
O6 O 0.67659(13) -0.19886(19) 0.31817(15) 0.0309(8) Uani 1 1 d . . .
O7 O 0.55514(15) -0.18521(18) 0.21405(13) 0.0300(7) Uani 1 1 d . . .
O8 O 0.53358(12) -0.18979(17) 0.39246(12) 0.0199(7) Uani 1 1 d . . .
O9 O 0.42146(13) -0.28731(19) 0.37206(14) 0.0273(7) Uani 1 1 d . . .
O10 O 0.54157(13) -0.35738(19) 0.40565(13) 0.0267(7) Uani 1 1 d . . .
O11 O 0.56120(13) -0.28250(18) 0.31274(13) 0.0223(7) Uani 1 1 d . . .
O12 O 0.44924(12) -0.35843(17) 0.28780(12) 0.0213(7) Uani 1 1 d . . .
O13 O 0.55675(14) -0.4639(2) 0.29990(14) 0.0313(8) Uani 1 1 d . . .
O14 O 0.5999(3) -0.6138(5) 0.2673(3) 0.053(2) Uiso 0.50 1 d P . .
H14A H 0.5707 -0.6505 0.2623 0.079 Uiso 0.50 1 d PR . .
H14B H 0.5869 -0.5696 0.2767 0.079 Uiso 0.50 1 d PR . .
O15 O 0.5000 0.2585(14) 0.2500 0.161(8) Uiso 0.50 2 d SP . .
H15A H 0.5195 0.2134 0.2640 0.242 Uiso 0.25 1 d PR . .
H15B H 0.5298 0.2946 0.2556 0.242 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.254(3) . ?
Ag1 N9 2.287(3) 1_454 ?
Ag1 N2 2.295(3) 3_445 ?
Ag2 N8 2.257(3) 3_455 ?
Ag2 N3 2.287(4) . ?
Ag2 N7 2.330(3) . ?
Mo1 O1 1.708(4) . ?
Mo1 O1 1.708(4) 2_655 ?
Mo1 O2 1.825(3) 2_655 ?
Mo1 O2 1.825(3) . ?
Mo2 O3 1.704(3) . ?
Mo2 O4 1.707(3) . ?
Mo2 O8 1.882(3) . ?
Mo2 O2 1.972(3) . ?
Mo2 O5 2.304(3) . ?
Mo2 O7 2.380(3) 2_655 ?
Mo3 O10 1.690(3) . ?
Mo3 O9 1.699(3) . ?
Mo3 O12 1.936(3) . ?
Mo3 O8 1.950(3) . ?
Mo3 O11 2.315(3) . ?
Mo3 O7 2.392(3) 2_655 ?
Mo4 O13 1.704(3) 2_655 ?
Mo4 O13 1.704(3) . ?
Mo4 O12 1.899(3) 2_655 ?
Mo4 O12 1.899(3) . ?
Mo4 O11 2.507(3) . ?
Mo4 O11 2.507(3) 2_655 ?
Mo5 O6 1.701(3) . ?
Mo5 O5 1.775(3) . ?
Mo5 O7 1.786(3) . ?
Mo5 O11 1.798(3) . ?
C18 N4 1.330(5) . ?
C18 N6 1.340(5) . ?
C18 C26 1.494(5) . ?
C20 N2 1.351(5) . ?
C20 C56 1.373(5) . ?
C22 C32 1.375(5) . ?
C22 C47 1.387(5) . ?
C23 N8 1.344(5) . ?
C23 C54 1.371(5) . ?
C26 C27 1.382(6) . ?
C26 C31 1.385(5) . ?
C27 C51 1.387(5) . ?
C30 C49 1.382(6) . ?
C30 C44 1.406(5) . ?
C31 C40 1.376(5) . ?
C32 N7 1.346(5) . ?
C33 N10 1.326(5) . ?
C33 N12 1.351(5) . ?
C33 C47 1.503(5) . ?
C34 N6 1.332(5) . ?
C34 N5 1.336(5) . ?
C34 C35 1.496(5) . ?
C35 C57 1.383(6) . ?
C35 C60 1.390(5) . ?
C36 C46 1.379(6) . ?
C36 C58 1.387(6) . ?
C37 N9 1.334(5) . ?
C37 C55 1.380(6) . ?
C39 N5 1.343(5) . ?
C39 N4 1.348(5) . ?
C39 C52 1.479(5) . ?
C40 N1 1.350(5) . ?
C41 N12 1.340(5) . ?
C41 N11 1.342(5) . ?
C41 C58 1.483(5) . ?
C42 C45 1.385(5) . ?
C42 C52 1.401(5) . ?
C43 N11 1.335(5) . ?
C43 N10 1.347(5) . ?
C43 C44 1.487(5) . ?
C44 C54 1.386(6) . ?
C45 N2 1.337(5) . ?
C46 N9 1.353(5) . ?
C47 C48 1.384(6) . ?
C48 C53 1.385(5) . ?
C49 N8 1.345(5) . ?
C50 N3 1.339(6) . ?
C50 C60 1.385(6) . ?
C51 N1 1.332(5) . ?
C52 C56 1.393(5) . ?
C53 N7 1.349(5) . ?
C55 C58 1.397(5) . ?
C57 C59 1.377(6) . ?
C59 N3 1.341(5) . ?
N2 Ag1 2.295(3) 3 ?
N8 Ag2 2.257(3) 3_545 ?
N9 Ag1 2.287(3) 1_656 ?
O7 Mo2 2.380(3) 2_655 ?
O7 Mo3 2.392(3) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 130.34(12) . 1_454 ?
N1 Ag1 N2 123.08(12) . 3_445 ?
N9 Ag1 N2 106.57(11) 1_454 3_445 ?
N8 Ag2 N3 134.59(12) 3_455 . ?
N8 Ag2 N7 121.68(12) 3_455 . ?
N3 Ag2 N7 103.72(12) . . ?
O1 Mo1 O1 105.7(4) . 2_655 ?
O1 Mo1 O2 104.96(15) . 2_655 ?
O1 Mo1 O2 106.96(17) 2_655 2_655 ?
O1 Mo1 O2 106.96(17) . . ?
O1 Mo1 O2 104.96(15) 2_655 . ?
O2 Mo1 O2 125.83(19) 2_655 . ?
O3 Mo2 O4 104.00(14) . . ?
O3 Mo2 O8 100.67(13) . . ?
O4 Mo2 O8 102.41(13) . . ?
O3 Mo2 O2 100.51(14) . . ?
O4 Mo2 O2 93.86(13) . . ?
O8 Mo2 O2 149.18(12) . . ?
O3 Mo2 O5 90.89(12) . . ?
O4 Mo2 O5 163.51(13) . . ?
O8 Mo2 O5 81.34(12) . . ?
O2 Mo2 O5 76.20(12) . . ?
O3 Mo2 O7 166.81(12) . 2_655 ?
O4 Mo2 O7 89.01(13) . 2_655 ?
O8 Mo2 O7 73.91(11) . 2_655 ?
O2 Mo2 O7 80.47(11) . 2_655 ?
O5 Mo2 O7 76.50(11) . 2_655 ?
O10 Mo3 O9 103.84(14) . . ?
O10 Mo3 O12 102.48(14) . . ?
O9 Mo3 O12 97.92(13) . . ?
O10 Mo3 O8 98.21(13) . . ?
O9 Mo3 O8 99.82(13) . . ?
O12 Mo3 O8 148.54(12) . . ?
O10 Mo3 O11 90.34(12) . . ?
O9 Mo3 O11 165.17(13) . . ?
O12 Mo3 O11 74.37(10) . . ?
O8 Mo3 O11 82.14(11) . . ?
O10 Mo3 O7 162.80(12) . 2_655 ?
O9 Mo3 O7 92.20(13) . 2_655 ?
O12 Mo3 O7 81.04(11) . 2_655 ?
O8 Mo3 O7 72.55(11) . 2_655 ?
O11 Mo3 O7 74.26(11) . 2_655 ?
O13 Mo4 O13 105.3(2) 2_655 . ?
O13 Mo4 O12 103.92(14) 2_655 2_655 ?
O13 Mo4 O12 101.59(13) . 2_655 ?
O13 Mo4 O12 101.59(13) 2_655 . ?
O13 Mo4 O12 103.92(14) . . ?
O12 Mo4 O12 137.35(17) 2_655 . ?
O13 Mo4 O11 166.06(12) 2_655 . ?
O13 Mo4 O11 87.98(13) . . ?
O12 Mo4 O11 77.01(11) 2_655 . ?
O12 Mo4 O11 70.39(10) . . ?
O13 Mo4 O11 87.98(13) 2_655 2_655 ?
O13 Mo4 O11 166.06(12) . 2_655 ?
O12 Mo4 O11 70.39(10) 2_655 2_655 ?
O12 Mo4 O11 77.01(11) . 2_655 ?
O11 Mo4 O11 79.19(13) . 2_655 ?
O6 Mo5 O5 106.69(15) . . ?
O6 Mo5 O7 110.70(16) . . ?
O5 Mo5 O7 109.77(15) . . ?
O6 Mo5 O11 108.46(13) . . ?
O5 Mo5 O11 110.61(14) . . ?
O7 Mo5 O11 110.53(14) . . ?
N4 C18 N6 125.9(3) . . ?
N4 C18 C26 118.6(3) . . ?
N6 C18 C26 115.5(3) . . ?
N2 C20 C56 123.0(4) . . ?
C32 C22 C47 118.9(4) . . ?
N8 C23 C54 123.7(4) . . ?
C27 C26 C31 118.7(3) . . ?
C27 C26 C18 121.3(3) . . ?
C31 C26 C18 120.0(4) . . ?
C26 C27 C51 118.2(4) . . ?
C49 C30 C44 118.4(4) . . ?
C40 C31 C26 119.2(4) . . ?
N7 C32 C22 123.2(4) . . ?
N10 C33 N12 125.7(3) . . ?
N10 C33 C47 118.7(3) . . ?
N12 C33 C47 115.6(3) . . ?
N6 C34 N5 125.6(4) . . ?
N6 C34 C35 115.9(3) . . ?
N5 C34 C35 118.5(3) . . ?
C57 C35 C60 118.9(4) . . ?
C57 C35 C34 120.2(3) . . ?
C60 C35 C34 120.9(4) . . ?
C46 C36 C58 119.3(4) . . ?
N9 C37 C55 124.5(4) . . ?
N5 C39 N4 125.0(3) . . ?
N5 C39 C52 118.0(3) . . ?
N4 C39 C52 117.0(3) . . ?
N1 C40 C31 122.9(4) . . ?
N12 C41 N11 124.9(4) . . ?
N12 C41 C58 116.9(3) . . ?
N11 C41 C58 118.2(3) . . ?
C45 C42 C52 118.3(4) . . ?
N11 C43 N10 125.1(3) . . ?
N11 C43 C44 117.8(3) . . ?
N10 C43 C44 117.1(3) . . ?
C54 C44 C30 117.8(4) . . ?
C54 C44 C43 120.9(3) . . ?
C30 C44 C43 121.3(4) . . ?
N2 C45 C42 124.3(3) . . ?
N9 C46 C36 123.1(4) . . ?
C48 C47 C22 119.0(3) . . ?
C48 C47 C33 122.4(3) . . ?
C22 C47 C33 118.6(4) . . ?
C53 C48 C47 118.4(4) . . ?
N8 C49 C30 123.8(4) . . ?
N3 C50 C60 124.3(4) . . ?
N1 C51 C27 124.0(4) . . ?
C56 C52 C42 117.6(3) . . ?
C56 C52 C39 121.8(3) . . ?
C42 C52 C39 120.6(4) . . ?
N7 C53 C48 123.3(4) . . ?
C23 C54 C44 119.6(3) . . ?
C37 C55 C58 118.1(4) . . ?
C20 C56 C52 119.9(3) . . ?
C59 C57 C35 118.9(4) . . ?
C36 C58 C55 118.3(4) . . ?
C36 C58 C41 122.3(3) . . ?
C55 C58 C41 119.3(4) . . ?
N3 C59 C57 123.5(4) . . ?
C50 C60 C35 117.6(4) . . ?
C51 N1 C40 117.0(3) . . ?
C51 N1 Ag1 123.4(3) . . ?
C40 N1 Ag1 119.4(3) . . ?
C45 N2 C20 116.8(3) . . ?
C45 N2 Ag1 123.0(2) . 3 ?
C20 N2 Ag1 120.3(3) . 3 ?
C50 N3 C59 116.6(4) . . ?
C50 N3 Ag2 127.6(3) . . ?
C59 N3 Ag2 115.1(3) . . ?
C18 N4 C39 114.3(3) . . ?
C34 N5 C39 114.6(3) . . ?
C34 N6 C18 114.5(3) . . ?
C32 N7 C53 117.2(3) . . ?
C32 N7 Ag2 115.5(3) . . ?
C53 N7 Ag2 126.6(3) . . ?
C23 N8 C49 116.7(3) . . ?
C23 N8 Ag2 115.8(3) . 3_545 ?
C49 N8 Ag2 127.5(2) . 3_545 ?
C37 N9 C46 116.7(4) . . ?
C37 N9 Ag1 112.5(2) . 1_656 ?
C46 N9 Ag1 130.7(3) . 1_656 ?
C33 N10 C43 114.6(3) . . ?
C43 N11 C41 115.1(3) . . ?
C41 N12 C33 114.4(3) . . ?
Mo1 O2 Mo2 134.73(15) . . ?
Mo5 O5 Mo2 128.77(15) . . ?
Mo5 O7 Mo2 140.09(16) . 2_655 ?
Mo5 O7 Mo3 128.96(15) . 2_655 ?
Mo2 O7 Mo3 88.83(10) 2_655 2_655 ?
Mo2 O8 Mo3 121.23(14) . . ?
Mo5 O11 Mo3 128.94(15) . . ?
Mo5 O11 Mo4 126.66(15) . . ?
Mo3 O11 Mo4 88.28(9) . . ?
Mo4 O12 Mo3 122.42(13) . . ?

_diffrn_measured_fraction_theta_max 0.970
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.970
_refine_diff_density_max         1.582
_refine_diff_density_min         -1.395
_refine_diff_density_rms         0.123
_database_code_depnum_ccdc_archive 'CCDC 956832'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_160K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0532(5)
_cell_length_b                   16.3828(5)
_cell_length_c                   25.6809(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.391(4)
_cell_angle_gamma                90.00
_cell_volume                     8382.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    160.01(10)
_cell_measurement_reflns_used    19189
_cell_measurement_theta_min      3.3120
_cell_measurement_theta_max      29.4520

_exptl_crystal_description       block-like
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.160
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.74529
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      160.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19437
_diffrn_reflns_av_R_equivalents  0.0400
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7188
_reflns_number_gt                6452
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0267P)²+0.9577P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7188
_refine_ls_number_parameters     616
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0297
_refine_ls_wR_factor_ref         0.0720
_refine_ls_wR_factor_gt          0.0687
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.343888(14) 0.45794(2) 0.367957(14) 0.02169(9) Uani 1 1 d . . .
Ag2 Ag 0.823012(14) 0.25006(2) 0.867545(14) 0.02461(10) Uani 1 1 d . . .
Mo1 Mo 0.5000 0.46264(4) 0.2500 0.03239(15) Uani 1 2 d S . .
Mo2 Mo 0.498184(15) 0.58777(2) 0.360364(15) 0.01595(9) Uani 1 1 d . . .
Mo3 Mo 0.488896(15) 0.79128(2) 0.356366(15) 0.01564(9) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.90106(3) 0.2500 0.02271(13) Uani 1 2 d S . .
Mo5 Mo 0.408358(15) 0.69313(2) 0.209001(15) 0.01468(9) Uani 1 1 d . . .
C19 C 0.62426(17) 0.2573(2) 0.50269(17) 0.0136(8) Uani 1 1 d . . .
C20 C 1.00246(17) 0.3828(2) 0.99685(17) 0.0167(9) Uani 1 1 d . . .
H20A H 1.0218 0.3820 1.0369 0.020 Uiso 1 1 calc R . .
C24 C 0.53329(18) 0.3116(2) 0.41154(18) 0.0192(9) Uani 1 1 d . . .
H24A H 0.5547 0.2898 0.3904 0.023 Uiso 1 1 calc R . .
C25 C 1.27767(18) 0.6371(2) 1.00952(18) 0.0184(9) Uani 1 1 d . . .
H25A H 1.2985 0.6339 1.0495 0.022 Uiso 1 1 calc R . .
C26 C 0.73574(17) 0.0667(2) 0.38882(18) 0.0182(9) Uani 1 1 d . . .
H26A H 0.7140 0.0609 0.3490 0.022 Uiso 1 1 calc R . .
C28 C 0.56003(17) 0.3025(2) 0.47056(17) 0.0139(8) Uani 1 1 d . . .
C29 C 1.09731(17) 0.4691(2) 1.00160(17) 0.0142(8) Uani 1 1 d . . .
C30 C 1.21965(18) 0.6506(2) 0.89287(18) 0.0191(9) Uani 1 1 d . . .
H30A H 1.1993 0.6558 0.8530 0.023 Uiso 1 1 calc R . .
C31 C 0.71001(17) 0.2265(2) 0.58794(17) 0.0145(8) Uani 1 1 d . . .
C33 C 0.94336(17) 0.3424(2) 0.96570(18) 0.0178(9) Uani 1 1 d . . .
H33A H 0.9232 0.3149 0.9858 0.021 Uiso 1 1 calc R . .
C34 C 0.52662(18) 0.3359(3) 0.50049(18) 0.0201(9) Uani 1 1 d . . .
H34A H 0.5439 0.3310 0.5403 0.024 Uiso 1 1 calc R . .
C36 C 0.74322(17) 0.2368(3) 0.65183(17) 0.0173(9) Uani 1 1 d . . .
C37 C 1.17820(18) 0.4572(3) 1.18188(18) 0.0221(10) Uani 1 1 d . . .
H37A H 1.1341 0.4395 1.1620 0.026 Uiso 1 1 calc R . .
C38 C 1.3061(2) 0.5068(3) 1.24296(19) 0.0259(10) Uani 1 1 d . . .
H38A H 1.3503 0.5237 1.2638 0.031 Uiso 1 1 calc R . .
C39 C 1.21544(17) 0.6003(2) 0.97815(17) 0.0146(8) Uani 1 1 d . . .
C40 C 0.46710(18) 0.3765(3) 0.46970(19) 0.0231(10) Uani 1 1 d . . .
H40A H 0.4449 0.3991 0.4900 0.028 Uiso 1 1 calc R . .
C41 C 1.17955(17) 0.5024(2) 1.08870(17) 0.0160(9) Uani 1 1 d . . .
C42 C 1.03272(17) 0.4248(2) 0.96747(17) 0.0135(8) Uani 1 1 d . . .
C43 C 0.82586(18) 0.0407(2) 0.47462(17) 0.0152(8) Uani 1 1 d . . .
H43A H 0.8676 0.0164 0.4950 0.018 Uiso 1 1 calc R . .
C44 C 0.8270(2) 0.2028(3) 0.7448(2) 0.0278(10) Uani 1 1 d . . .
H44A H 0.8655 0.1736 0.7674 0.033 Uiso 1 1 calc R . .
C45 C 1.18608(17) 0.6080(2) 0.91861(17) 0.0157(8) Uani 1 1 d . . .
H45A H 1.1444 0.5847 0.8965 0.019 Uiso 1 1 calc R . .
C46 C 0.79855(17) 0.0842(2) 0.50551(18) 0.0172(9) Uani 1 1 d . . .
H46A H 0.8209 0.0884 0.5454 0.021 Uiso 1 1 calc R . .
C47 C 0.70600(17) 0.1725(2) 0.50584(17) 0.0142(8) Uani 1 1 d . . .
C48 C 1.18210(17) 0.5509(2) 1.00720(17) 0.0141(8) Uani 1 1 d . . .
C49 C 1.30779(18) 0.6784(2) 0.97975(18) 0.0188(9) Uani 1 1 d . . .
H49A H 1.3493 0.7026 1.0008 0.023 Uiso 1 1 calc R . .
C50 C 0.47327(18) 0.3545(3) 0.38447(18) 0.0206(9) Uani 1 1 d . . .
H50A H 0.4559 0.3620 0.3448 0.025 Uiso 1 1 calc R . .
C51 C 1.21077(19) 0.4484(3) 1.24078(18) 0.0248(10) Uani 1 1 d . . .
H51A H 1.1878 0.4245 1.2599 0.030 Uiso 1 1 calc R . .
C52 C 1.00208(18) 0.4247(3) 0.90778(18) 0.0207(9) Uani 1 1 d . . .
H52A H 1.0208 0.4532 0.8869 0.025 Uiso 1 1 calc R . .
C53 C 1.27737(18) 0.5183(3) 1.18389(18) 0.0214(9) Uani 1 1 d . . .
H53A H 1.3014 0.5425 1.1658 0.026 Uiso 1 1 calc R . .
C54 C 0.70463(18) 0.1111(2) 0.41562(18) 0.0172(9) Uani 1 1 d . . .
H54A H 0.6626 0.1339 0.3942 0.021 Uiso 1 1 calc R . .
C55 C 0.94299(18) 0.3813(3) 0.87979(18) 0.0203(9) Uani 1 1 d . . .
H55A H 0.9231 0.3803 0.8397 0.024 Uiso 1 1 calc R . .
C56 C 1.21120(18) 0.4925(3) 1.15223(17) 0.0180(9) Uani 1 1 d . . .
C57 C 0.73634(17) 0.1219(2) 0.47507(17) 0.0144(8) Uani 1 1 d . . .
C58 C 0.7452(2) 0.2935(3) 0.73782(19) 0.0264(10) Uani 1 1 d . . .
H58A H 0.7266 0.3286 0.7554 0.032 Uiso 1 1 calc R . .
C59 C 0.71564(19) 0.2884(3) 0.67849(18) 0.0222(9) Uani 1 1 d . . .
H59A H 0.6778 0.3193 0.6568 0.027 Uiso 1 1 calc R . .
C60 C 0.80146(19) 0.1946(3) 0.68548(18) 0.0214(9) Uani 1 1 d . . .
H60A H 0.8227 0.1618 0.6688 0.026 Uiso 1 1 calc R . .
N1 N 0.43924(14) 0.3854(2) 0.41206(15) 0.0188(8) Uani 1 1 d . . .
N2 N 0.79631(14) 0.03108(19) 0.41731(14) 0.0145(7) Uani 1 1 d . . .
N3 N 0.79971(16) 0.2501(2) 0.77150(15) 0.0229(8) Uani 1 1 d . . .
N4 N 0.64818(14) 0.2108(2) 0.47294(14) 0.0153(7) Uani 1 1 d . . .
N5 N 0.73866(14) 0.17717(19) 0.56336(14) 0.0148(7) Uani 1 1 d . . .
N6 N 0.65333(14) 0.2683(2) 0.55991(14) 0.0152(7) Uani 1 1 d . . .
N7 N 0.91294(14) 0.3404(2) 0.90776(15) 0.0191(7) Uani 1 1 d . . .
N8 N 1.28001(15) 0.6853(2) 0.92195(15) 0.0170(8) Uani 1 1 d . . .
N9 N 1.27483(16) 0.4731(2) 1.27201(15) 0.0238(8) Uani 1 1 d . . .
N10 N 1.12603(14) 0.5099(2) 0.97341(14) 0.0158(7) Uani 1 1 d . . .
N11 N 1.21081(14) 0.5491(2) 1.06505(15) 0.0178(7) Uani 1 1 d . . .
N12 N 1.12185(14) 0.4624(2) 1.05918(14) 0.0158(7) Uani 1 1 d . . .
O1 O 0.5618(2) 0.3994(3) 0.2951(2) 0.0833(17) Uani 1 1 d . . .
O2 O 0.46390(13) 0.51390(18) 0.29297(12) 0.0267(7) Uani 1 1 d . . .
O3 O 0.55219(13) 0.52423(19) 0.41186(13) 0.0320(8) Uani 1 1 d . . .
O4 O 0.42641(13) 0.58255(19) 0.37022(13) 0.0292(7) Uani 1 1 d . . .
O5 O 0.32348(13) 0.69965(18) 0.18235(15) 0.0320(8) Uani 1 1 d . . .
O6 O 0.42639(14) 0.60415(19) 0.17914(15) 0.0341(8) Uani 1 1 d . . .
O7 O 0.44537(15) 0.68531(18) 0.28571(13) 0.0322(8) Uani 1 1 d . . .
O8 O 0.53343(12) 0.69001(17) 0.39257(12) 0.0230(7) Uani 1 1 d . . .
O9 O 0.42120(13) 0.78742(19) 0.37168(14) 0.0305(7) Uani 1 1 d . . .
O10 O 0.54140(13) 0.85717(19) 0.40567(14) 0.0311(7) Uani 1 1 d . . .
O11 O 0.43827(13) 0.78249(19) 0.18693(13) 0.0249(7) Uani 1 1 d . . .
O12 O 0.44952(12) 0.85823(17) 0.28791(13) 0.0243(7) Uani 1 1 d . . .
O13 O 0.55687(15) 0.9640(2) 0.30001(14) 0.0364(8) Uani 1 1 d . . .
O14 O 0.5995(4) 1.1143(5) 0.2677(3) 0.069(3) Uani 0.50 1 d P . .
H14A H 0.5866 1.0700 0.2770 0.104 Uiso 0.50 1 d PR . .
H14B H 0.5699 1.1506 0.2624 0.104 Uiso 0.50 1 d PR . .
O15 O 0.5000 1.2387(16) 0.2500 0.193(10) Uiso 0.50 2 d SP . .
H15A H 0.4813 1.2842 0.2368 0.289 Uiso 0.25 1 d PR . .
H15B H 0.4696 1.2034 0.2443 0.289 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.253(3) . ?
Ag1 N9 2.288(3) 1_454 ?
Ag1 N2 2.299(3) 3_455 ?
Ag2 N8 2.262(3) 3_445 ?
Ag2 N3 2.294(4) . ?
Ag2 N7 2.331(3) . ?
Mo1 O1 1.707(4) 2_655 ?
Mo1 O1 1.707(4) . ?
Mo1 O2 1.819(3) 2_655 ?
Mo1 O2 1.819(3) . ?
Mo2 O3 1.703(3) . ?
Mo2 O4 1.709(3) . ?
Mo2 O8 1.882(3) . ?
Mo2 O2 1.977(3) . ?
Mo2 O6 2.306(3) 2_655 ?
Mo2 O7 2.381(3) . ?
Mo3 O10 1.689(3) . ?
Mo3 O9 1.700(3) . ?
Mo3 O12 1.934(3) . ?
Mo3 O8 1.949(3) . ?
Mo3 O11 2.317(3) 2_655 ?
Mo3 O7 2.395(3) . ?
Mo4 O13 1.704(3) . ?
Mo4 O13 1.704(3) 2_655 ?
Mo4 O12 1.900(3) 2_655 ?
Mo4 O12 1.900(3) . ?
Mo5 O5 1.699(3) . ?
Mo5 O6 1.770(3) . ?
Mo5 O7 1.784(3) . ?
Mo5 O11 1.795(3) . ?
C19 N4 1.337(5) . ?
C19 N6 1.340(5) . ?
C19 C28 1.495(5) . ?
C20 C33 1.372(5) . ?
C20 C42 1.385(5) . ?
C24 C28 1.379(6) . ?
C24 C50 1.393(5) . ?
C25 C49 1.385(5) . ?
C25 C39 1.396(5) . ?
C26 N2 1.350(5) . ?
C26 C54 1.370(5) . ?
C28 C34 1.385(5) . ?
C29 N10 1.329(5) . ?
C29 N12 1.344(5) . ?
C29 C42 1.501(5) . ?
C30 N8 1.341(5) . ?
C30 C45 1.376(5) . ?
C31 N6 1.333(5) . ?
C31 N5 1.339(5) . ?
C31 C36 1.492(5) . ?
C33 N7 1.345(5) . ?
C34 C40 1.379(5) . ?
C36 C59 1.383(6) . ?
C36 C60 1.386(5) . ?
C37 C51 1.376(6) . ?
C37 C56 1.385(6) . ?
C38 N9 1.335(5) . ?
C38 C53 1.383(6) . ?
C39 C45 1.387(5) . ?
C39 C48 1.490(5) . ?
C40 N1 1.345(5) . ?
C41 N12 1.340(5) . ?
C41 N11 1.338(5) . ?
C41 C56 1.483(5) . ?
C42 C52 1.385(6) . ?
C43 N2 1.339(5) . ?
C43 C46 1.382(5) . ?
C44 N3 1.337(6) . ?
C44 C60 1.386(6) . ?
C46 C57 1.398(5) . ?
C47 N5 1.340(5) . ?
C47 N4 1.345(5) . ?
C47 C57 1.488(5) . ?
C48 N11 1.342(5) . ?
C48 N10 1.347(5) . ?
C49 N8 1.346(5) . ?
C50 N1 1.333(5) . ?
C51 N9 1.353(5) . ?
C52 C55 1.385(5) . ?
C53 C56 1.397(5) . ?
C54 C57 1.391(6) . ?
C55 N7 1.346(5) . ?
C58 N3 1.343(5) . ?
C58 C59 1.379(6) . ?
N2 Ag1 2.299(3) 3_545 ?
N8 Ag2 2.262(3) 3 ?
N9 Ag1 2.288(3) 1_656 ?
O6 Mo2 2.306(3) 2_655 ?
O11 Mo3 2.317(3) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 130.20(12) . 1_454 ?
N1 Ag1 N2 123.11(12) . 3_455 ?
N9 Ag1 N2 106.67(12) 1_454 3_455 ?
N8 Ag2 N3 134.81(12) 3_445 . ?
N8 Ag2 N7 121.78(12) 3_445 . ?
N3 Ag2 N7 103.41(12) . . ?
O1 Mo1 O1 105.3(4) 2_655 . ?
O1 Mo1 O2 107.32(18) 2_655 2_655 ?
O1 Mo1 O2 105.19(15) . 2_655 ?
O1 Mo1 O2 105.19(15) 2_655 . ?
O1 Mo1 O2 107.32(18) . . ?
O2 Mo1 O2 125.02(19) 2_655 . ?
O3 Mo2 O4 103.78(14) . . ?
O3 Mo2 O8 100.56(14) . . ?
O4 Mo2 O8 102.34(13) . . ?
O3 Mo2 O2 100.55(14) . . ?
O4 Mo2 O2 93.91(13) . . ?
O8 Mo2 O2 149.34(13) . . ?
O3 Mo2 O6 90.95(12) . 2_655 ?
O4 Mo2 O6 163.71(13) . 2_655 ?
O8 Mo2 O6 81.37(12) . 2_655 ?
O2 Mo2 O6 76.31(12) . 2_655 ?
O3 Mo2 O7 166.69(12) . . ?
O4 Mo2 O7 89.34(13) . . ?
O8 Mo2 O7 73.97(11) . . ?
O2 Mo2 O7 80.48(11) . . ?
O6 Mo2 O7 76.33(11) 2_655 . ?
O10 Mo3 O9 103.77(14) . . ?
O10 Mo3 O12 102.43(14) . . ?
O9 Mo3 O12 97.75(13) . . ?
O10 Mo3 O8 98.24(14) . . ?
O9 Mo3 O8 99.84(13) . . ?
O12 Mo3 O8 148.72(12) . . ?
O10 Mo3 O11 90.34(12) . 2_655 ?
O9 Mo3 O11 165.19(13) . 2_655 ?
O12 Mo3 O11 74.48(10) . 2_655 ?
O8 Mo3 O11 82.23(11) . 2_655 ?
O10 Mo3 O7 162.70(12) . . ?
O9 Mo3 O7 92.40(13) . . ?
O12 Mo3 O7 81.05(11) . . ?
O8 Mo3 O7 72.58(11) . . ?
O11 Mo3 O7 74.12(11) 2_655 . ?
O13 Mo4 O13 105.5(2) . 2_655 ?
O13 Mo4 O12 101.90(13) . 2_655 ?
O13 Mo4 O12 103.93(14) 2_655 2_655 ?
O13 Mo4 O12 103.93(14) . . ?
O13 Mo4 O12 101.90(13) 2_655 . ?
O12 Mo4 O12 136.64(17) 2_655 . ?
O5 Mo5 O6 106.90(15) . . ?
O5 Mo5 O7 110.66(16) . . ?
O6 Mo5 O7 109.74(15) . . ?
O5 Mo5 O11 108.20(13) . . ?
O6 Mo5 O11 110.71(14) . . ?
O7 Mo5 O11 110.56(14) . . ?
N4 C19 N6 125.7(3) . . ?
N4 C19 C28 118.7(3) . . ?
N6 C19 C28 115.7(3) . . ?
C33 C20 C42 118.8(4) . . ?
C28 C24 C50 118.1(4) . . ?
C49 C25 C39 118.6(4) . . ?
N2 C26 C54 123.3(4) . . ?
C24 C28 C34 119.3(3) . . ?
C24 C28 C19 121.2(3) . . ?
C34 C28 C19 119.6(4) . . ?
N10 C29 N12 125.4(3) . . ?
N10 C29 C42 118.7(3) . . ?
N12 C29 C42 115.9(3) . . ?
N8 C30 C45 123.9(4) . . ?
N6 C31 N5 125.3(4) . . ?
N6 C31 C36 116.1(3) . . ?
N5 C31 C36 118.5(3) . . ?
N7 C33 C20 123.8(4) . . ?
C40 C34 C28 118.3(4) . . ?
C59 C36 C60 118.9(4) . . ?
C59 C36 C31 120.0(3) . . ?
C60 C36 C31 121.1(4) . . ?
C51 C37 C56 119.9(4) . . ?
N9 C38 C53 124.4(4) . . ?
C45 C39 C25 118.4(4) . . ?
C45 C39 C48 120.3(3) . . ?
C25 C39 C48 121.3(4) . . ?
N1 C40 C34 123.8(4) . . ?
N12 C41 N11 124.9(4) . . ?
N12 C41 C56 117.0(3) . . ?
N11 C41 C56 118.1(3) . . ?
C52 C42 C20 118.8(3) . . ?
C52 C42 C29 122.5(3) . . ?
C20 C42 C29 118.7(3) . . ?
N2 C43 C46 124.4(3) . . ?
N3 C44 C60 124.0(4) . . ?
C30 C45 C39 118.9(3) . . ?
C43 C46 C57 118.1(4) . . ?
N5 C47 N4 125.7(4) . . ?
N5 C47 C57 117.7(3) . . ?
N4 C47 C57 116.6(3) . . ?
N11 C48 N10 124.7(3) . . ?
N11 C48 C39 117.8(3) . . ?
N10 C48 C39 117.5(3) . . ?
N8 C49 C25 123.4(3) . . ?
N1 C50 C24 123.9(4) . . ?
N9 C51 C37 122.7(4) . . ?
C55 C52 C42 118.6(4) . . ?
C38 C53 C56 118.1(4) . . ?
C26 C54 C57 119.6(3) . . ?
N7 C55 C52 123.2(4) . . ?
C37 C56 C53 118.1(4) . . ?
C37 C56 C41 122.7(3) . . ?
C53 C56 C41 119.2(4) . . ?
C54 C57 C46 118.0(4) . . ?
C54 C57 C47 121.6(3) . . ?
C46 C57 C47 120.4(4) . . ?
N3 C58 C59 123.3(4) . . ?
C58 C59 C36 118.9(4) . . ?
C36 C60 C44 117.9(4) . . ?
C50 N1 C40 116.6(3) . . ?
C50 N1 Ag1 123.4(3) . . ?
C40 N1 Ag1 119.8(3) . . ?
C43 N2 C26 116.6(3) . . ?
C43 N2 Ag1 123.0(2) . 3_545 ?
C26 N2 Ag1 120.4(3) . 3_545 ?
C44 N3 C58 116.8(4) . . ?
C44 N3 Ag2 127.5(3) . . ?
C58 N3 Ag2 114.8(3) . . ?
C19 N4 C47 114.0(3) . . ?
C47 N5 C31 114.5(3) . . ?
C31 N6 C19 114.8(3) . . ?
C55 N7 C33 116.9(3) . . ?
C55 N7 Ag2 126.8(3) . . ?
C33 N7 Ag2 115.6(3) . . ?
C30 N8 C49 116.9(3) . . ?
C30 N8 Ag2 115.7(3) . 3 ?
C49 N8 Ag2 127.4(2) . 3 ?
C38 N9 C51 116.8(4) . . ?
C38 N9 Ag1 112.5(3) . 1_656 ?
C51 N9 Ag1 130.5(3) . 1_656 ?
C29 N10 C48 114.9(3) . . ?
C48 N11 C41 115.1(3) . . ?
C41 N12 C29 114.8(3) . . ?
Mo1 O2 Mo2 135.31(15) . . ?
Mo5 O6 Mo2 128.68(15) . 2_655 ?
Mo5 O7 Mo2 140.47(16) . . ?
Mo5 O7 Mo3 129.01(15) . . ?
Mo2 O7 Mo3 88.72(10) . . ?
Mo2 O8 Mo3 121.28(14) . . ?
Mo5 O11 Mo3 128.81(15) . 2_655 ?
Mo4 O12 Mo3 122.83(13) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.625
_refine_diff_density_min         -1.445
_refine_diff_density_rms         0.117
_database_code_depnum_ccdc_archive 'CCDC 956833'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_190K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0383(6)
_cell_length_b                   16.4151(6)
_cell_length_c                   25.6790(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.404(4)
_cell_angle_gamma                90.00
_cell_volume                     8391.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    190.01(10)
_cell_measurement_reflns_used    18803
_cell_measurement_theta_min      3.3120
_cell_measurement_theta_max      29.4560

_exptl_crystal_description       block-like
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77675
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      190.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19468
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_sigmaI/netI    0.0447
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7194
_reflns_number_gt                6415
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0205P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7194
_refine_ls_number_parameters     619
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0283
_refine_ls_wR_factor_ref         0.0636
_refine_ls_wR_factor_gt          0.0604
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.344043(13) 0.04164(2) 0.368111(13) 0.02435(9) Uani 1 1 d . . .
Ag2 Ag 0.823048(14) 0.24999(2) 0.867650(13) 0.02813(9) Uani 1 1 d . . .
C17 C 0.62428(16) 0.2425(2) 0.50295(16) 0.0155(8) Uani 1 1 d . . .
C20 C 0.73570(16) 0.4333(2) 0.38904(17) 0.0204(9) Uani 1 1 d . . .
H20A H 0.7139 0.4391 0.3492 0.024 Uiso 1 1 calc R . .
C21 C 1.00281(16) 0.1170(2) 0.99680(17) 0.0197(8) Uani 1 1 d . . .
H21A H 1.0222 0.1173 1.0369 0.024 Uiso 1 1 calc R . .
C22 C 1.09731(15) 0.0309(2) 1.00158(16) 0.0144(8) Uani 1 1 d . . .
C23 C 0.56013(16) 0.1975(2) 0.47065(16) 0.0151(8) Uani 1 1 d . . .
C24 C 0.53320(17) 0.1881(2) 0.41130(17) 0.0194(9) Uani 1 1 d . . .
H24A H 0.5544 0.2101 0.3901 0.023 Uiso 1 1 calc R . .
C26 C 1.21976(17) -0.1501(2) 0.89295(17) 0.0199(9) Uani 1 1 d . . .
H26A H 1.1995 -0.1544 0.8530 0.024 Uiso 1 1 calc R . .
C28 C 1.27780(17) -0.1370(2) 1.00976(17) 0.0213(9) Uani 1 1 d . . .
H28A H 1.2986 -0.1340 1.0498 0.026 Uiso 1 1 calc R . .
C31 C 0.52672(17) 0.1634(2) 0.50030(17) 0.0207(9) Uani 1 1 d . . .
H31A H 0.5442 0.1677 0.5402 0.025 Uiso 1 1 calc R . .
C32 C 0.94347(16) 0.1581(2) 0.96589(16) 0.0202(9) Uani 1 1 d . . .
H32A H 0.9234 0.1858 0.9860 0.024 Uiso 1 1 calc R . .
C34 C 0.74307(16) 0.2635(2) 0.65187(16) 0.0195(9) Uani 1 1 d . . .
C35 C 1.17813(17) 0.0431(3) 1.18178(17) 0.0245(9) Uani 1 1 d . . .
H35A H 1.1342 0.0615 1.1617 0.029 Uiso 1 1 calc R . .
C36 C 0.71035(16) 0.2734(2) 0.58824(16) 0.0164(8) Uani 1 1 d . . .
C37 C 1.18211(16) -0.0505(2) 1.00736(16) 0.0149(8) Uani 1 1 d . . .
C39 C 0.79856(16) 0.4158(2) 0.50549(16) 0.0172(8) Uani 1 1 d . . .
H39A H 0.8211 0.4119 0.5454 0.021 Uiso 1 1 calc R . .
C40 C 1.17975(16) -0.0026(2) 1.08896(16) 0.0176(8) Uani 1 1 d . . .
C41 C 1.30641(18) -0.0070(3) 1.24341(17) 0.0270(10) Uani 1 1 d . . .
H41A H 1.3505 -0.0240 1.2645 0.032 Uiso 1 1 calc R . .
C42 C 0.70578(16) 0.3272(2) 0.50573(16) 0.0163(8) Uani 1 1 d . . .
C43 C 1.21538(16) -0.1000(2) 0.97817(16) 0.0170(8) Uani 1 1 d . . .
C44 C 0.46693(17) 0.1230(3) 0.46955(17) 0.0250(9) Uani 1 1 d . . .
H44A H 0.4446 0.1006 0.4897 0.030 Uiso 1 1 calc R . .
C45 C 1.03298(16) 0.0754(2) 0.96759(16) 0.0148(8) Uani 1 1 d . . .
C46 C 1.30787(17) -0.1782(2) 0.97987(17) 0.0227(9) Uani 1 1 d . . .
H46A H 1.3495 -0.2023 1.0009 0.027 Uiso 1 1 calc R . .
C47 C 0.82562(17) 0.4592(2) 0.47431(17) 0.0186(8) Uani 1 1 d . . .
H47A H 0.8674 0.4833 0.4946 0.022 Uiso 1 1 calc R . .
C48 C 0.74570(19) 0.2067(3) 0.73784(18) 0.0280(10) Uani 1 1 d . . .
H48A H 0.7271 0.1714 0.7554 0.034 Uiso 1 1 calc R . .
C49 C 0.47349(17) 0.1448(2) 0.38455(17) 0.0230(9) Uani 1 1 d . . .
H49A H 0.4563 0.1366 0.3449 0.028 Uiso 1 1 calc R . .
C50 C 1.21054(18) 0.0514(3) 1.24062(17) 0.0272(10) Uani 1 1 d . . .
H50A H 1.1874 0.0748 1.2598 0.033 Uiso 1 1 calc R . .
C51 C 1.00230(17) 0.0755(2) 0.90795(17) 0.0224(9) Uani 1 1 d . . .
H51A H 1.0209 0.0469 0.8870 0.027 Uiso 1 1 calc R . .
C52 C 1.21131(17) 0.0074(2) 1.15250(16) 0.0194(8) Uani 1 1 d . . .
C53 C 0.73623(16) 0.3780(2) 0.47519(16) 0.0164(8) Uani 1 1 d . . .
C54 C 0.82724(19) 0.2969(3) 0.74460(18) 0.0293(10) Uani 1 1 d . . .
H54A H 0.8659 0.3259 0.7672 0.035 Uiso 1 1 calc R . .
C55 C 1.27757(17) -0.0183(2) 1.18415(18) 0.0253(9) Uani 1 1 d . . .
H55A H 1.3016 -0.0424 1.1660 0.030 Uiso 1 1 calc R . .
C56 C 1.18635(16) -0.1083(2) 0.91899(16) 0.0177(8) Uani 1 1 d . . .
H56A H 1.1444 -0.0856 0.8969 0.021 Uiso 1 1 calc R . .
C57 C 0.70461(17) 0.3889(2) 0.41566(16) 0.0190(8) Uani 1 1 d . . .
H57A H 0.6626 0.3661 0.3941 0.023 Uiso 1 1 calc R . .
C58 C 0.80199(18) 0.3053(2) 0.68565(17) 0.0241(9) Uani 1 1 d . . .
H58A H 0.8235 0.3378 0.6690 0.029 Uiso 1 1 calc R . .
C59 C 0.71602(18) 0.2116(3) 0.67845(17) 0.0240(9) Uani 1 1 d . . .
H59A H 0.6784 0.1804 0.6567 0.029 Uiso 1 1 calc R . .
C60 C 0.94322(17) 0.1191(2) 0.88008(17) 0.0230(9) Uani 1 1 d . . .
H60A H 0.9234 0.1202 0.8400 0.028 Uiso 1 1 calc R . .
N1 N 0.43951(13) 0.11428(19) 0.41219(14) 0.0196(7) Uani 1 1 d . . .
N2 N 0.79617(13) 0.46893(18) 0.41734(13) 0.0164(7) Uani 1 1 d . . .
N3 N 0.80019(15) 0.2502(2) 0.77175(14) 0.0265(8) Uani 1 1 d . . .
N4 N 0.64811(13) 0.28904(19) 0.47305(13) 0.0163(7) Uani 1 1 d . . .
N5 N 0.73846(13) 0.32270(19) 0.56327(13) 0.0173(7) Uani 1 1 d . . .
N6 N 0.65352(13) 0.23159(19) 0.55984(13) 0.0181(7) Uani 1 1 d . . .
N7 N 0.91322(14) 0.1598(2) 0.90774(14) 0.0222(7) Uani 1 1 d . . .
N8 N 1.28014(14) -0.18532(19) 0.92206(14) 0.0191(7) Uani 1 1 d . . .
N9 N 1.27477(15) 0.0268(2) 1.27187(14) 0.0265(8) Uani 1 1 d . . .
N10 N 1.12590(13) -0.00982(19) 0.97340(13) 0.0165(7) Uani 1 1 d . . .
N11 N 1.21091(13) -0.04912(19) 1.06483(14) 0.0204(7) Uani 1 1 d . . .
N12 N 1.12201(13) 0.03761(19) 1.05936(13) 0.0169(7) Uani 1 1 d . . .
Mo1 Mo 0.5000 0.03746(4) 0.2500 0.03511(15) Uani 1 2 d S . .
Mo2 Mo 0.498248(14) -0.08803(2) 0.360363(14) 0.01786(9) Uani 1 1 d . . .
Mo3 Mo 0.488811(14) -0.29121(2) 0.356296(14) 0.01767(9) Uani 1 1 d . . .
Mo4 Mo 0.5000 -0.40120(3) 0.2500 0.02513(12) Uani 1 2 d S . .
Mo5 Mo 0.408267(14) -0.19336(2) 0.208784(14) 0.01628(9) Uani 1 1 d . . .
O1 O 0.5620(2) 0.0994(3) 0.2953(2) 0.0896(16) Uani 1 1 d . . .
O2 O 0.46403(12) -0.01435(17) 0.29306(12) 0.0277(7) Uani 1 1 d . . .
O3 O 0.55204(12) -0.02495(18) 0.41183(12) 0.0334(7) Uani 1 1 d . . .
O4 O 0.42634(12) -0.08321(18) 0.36983(13) 0.0305(7) Uani 1 1 d . . .
O5 O 0.53329(12) -0.19012(16) 0.39262(11) 0.0245(6) Uani 1 1 d . . .
O6 O 0.44604(14) -0.18564(17) 0.28576(12) 0.0336(7) Uani 1 1 d . . .
O7 O 0.42611(13) -0.10460(18) 0.17878(13) 0.0348(7) Uani 1 1 d . . .
O8 O 0.32330(12) -0.19995(17) 0.18254(13) 0.0339(8) Uani 1 1 d . . .
O9 O 0.42100(12) -0.28760(18) 0.37133(13) 0.0329(7) Uani 1 1 d . . .
O10 O 0.54110(12) -0.35725(18) 0.40558(12) 0.0321(7) Uani 1 1 d . . .
O11 O 0.44970(12) -0.35810(16) 0.28780(12) 0.0257(6) Uani 1 1 d . . .
O12 O 0.43804(12) -0.28229(17) 0.18667(12) 0.0253(6) Uani 1 1 d . . .
O13 O 0.55679(14) -0.4640(2) 0.29977(13) 0.0402(8) Uani 1 1 d . . .
O14 O 0.5988(4) -0.6133(5) 0.2675(3) 0.081(3) Uani 0.50 1 d P . .
H14A H 0.5858 -0.5693 0.2770 0.122 Uiso 0.50 1 d PR . .
H14B H 0.5695 -0.6498 0.2624 0.122 Uiso 0.50 1 d PR . .
O15 O 0.5000 -0.7362(11) 0.2500 0.261(17) Uani 0.50 2 d SP . .
H15A H 0.5194 -0.7812 0.2637 0.392 Uiso 0.25 1 d PR . .
H15B H 0.5299 -0.7002 0.2558 0.392 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.255(3) . ?
Ag1 N9 2.294(3) 1_454 ?
Ag1 N2 2.298(3) 3_445 ?
Ag2 N8 2.260(3) 3_455 ?
Ag2 N3 2.292(3) . ?
Ag2 N7 2.333(3) . ?
C17 N6 1.332(5) . ?
C17 N4 1.340(5) . ?
C17 C23 1.492(5) . ?
C20 N2 1.348(4) . ?
C20 C57 1.367(5) . ?
C21 C32 1.380(5) . ?
C21 C45 1.378(5) . ?
C22 N10 1.326(4) . ?
C22 N12 1.348(5) . ?
C22 C45 1.497(5) . ?
C23 C24 1.386(5) . ?
C23 C31 1.384(5) . ?
C24 C49 1.390(5) . ?
C26 N8 1.345(4) . ?
C26 C56 1.372(5) . ?
C28 C46 1.386(5) . ?
C28 C43 1.401(5) . ?
C31 C44 1.381(5) . ?
C32 N7 1.349(5) . ?
C34 C59 1.377(5) . ?
C34 C58 1.394(5) . ?
C34 C36 1.485(5) . ?
C35 C50 1.373(5) . ?
C35 C52 1.384(5) . ?
C36 N6 1.337(4) . ?
C36 N5 1.338(5) . ?
C37 N11 1.333(5) . ?
C37 N10 1.347(4) . ?
C37 C43 1.494(5) . ?
C39 C47 1.383(5) . ?
C39 C53 1.400(5) . ?
C40 N12 1.343(4) . ?
C40 N11 1.343(5) . ?
C40 C52 1.483(5) . ?
C41 N9 1.328(5) . ?
C41 C55 1.387(6) . ?
C42 N5 1.339(5) . ?
C42 N4 1.340(4) . ?
C42 C53 1.488(5) . ?
C43 C56 1.379(5) . ?
C44 N1 1.338(5) . ?
C45 C51 1.384(5) . ?
C46 N8 1.346(5) . ?
C47 N2 1.331(5) . ?
C48 N3 1.346(5) . ?
C48 C59 1.380(5) . ?
C49 N1 1.331(5) . ?
C50 N9 1.355(5) . ?
C51 C60 1.386(5) . ?
C52 C55 1.398(5) . ?
C53 C57 1.393(5) . ?
C54 N3 1.337(5) . ?
C54 C58 1.378(6) . ?
C60 N7 1.338(5) . ?
N2 Ag1 2.298(3) 3 ?
N8 Ag2 2.260(3) 3_545 ?
N9 Ag1 2.294(3) 1_656 ?
Mo1 O1 1.700(4) . ?
Mo1 O1 1.700(4) 2_655 ?
Mo1 O2 1.824(3) . ?
Mo1 O2 1.824(3) 2_655 ?
Mo2 O3 1.697(3) . ?
Mo2 O4 1.705(2) . ?
Mo2 O5 1.882(3) . ?
Mo2 O2 1.975(3) . ?
Mo2 O7 2.302(3) 2_655 ?
Mo2 O6 2.381(3) . ?
Mo3 O10 1.689(3) . ?
Mo3 O9 1.697(3) . ?
Mo3 O11 1.934(3) . ?
Mo3 O5 1.949(3) . ?
Mo3 O12 2.316(2) 2_655 ?
Mo3 O6 2.389(3) . ?
Mo4 O13 1.700(3) 2_655 ?
Mo4 O13 1.700(3) . ?
Mo4 O11 1.896(3) . ?
Mo4 O11 1.896(3) 2_655 ?
Mo5 O8 1.700(2) . ?
Mo5 O7 1.769(3) . ?
Mo5 O12 1.790(3) . ?
Mo5 O6 1.790(3) . ?
O7 Mo2 2.302(3) 2_655 ?
O12 Mo3 2.316(2) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 130.04(12) . 1_454 ?
N1 Ag1 N2 123.24(11) . 3_445 ?
N9 Ag1 N2 106.70(11) 1_454 3_445 ?
N8 Ag2 N3 134.93(11) 3_455 . ?
N8 Ag2 N7 121.89(11) 3_455 . ?
N3 Ag2 N7 103.17(11) . . ?
N6 C17 N4 125.5(3) . . ?
N6 C17 C23 116.1(3) . . ?
N4 C17 C23 118.3(3) . . ?
N2 C20 C57 123.6(4) . . ?
C32 C21 C45 119.3(4) . . ?
N10 C22 N12 125.4(3) . . ?
N10 C22 C45 118.7(3) . . ?
N12 C22 C45 115.9(3) . . ?
C24 C23 C31 118.8(3) . . ?
C24 C23 C17 121.5(3) . . ?
C31 C23 C17 119.7(3) . . ?
C23 C24 C49 117.9(3) . . ?
N8 C26 C56 123.6(4) . . ?
C46 C28 C43 118.4(4) . . ?
C44 C31 C23 118.8(4) . . ?
N7 C32 C21 122.9(3) . . ?
C59 C34 C58 118.8(4) . . ?
C59 C34 C36 120.3(3) . . ?
C58 C34 C36 120.9(3) . . ?
C50 C35 C52 119.5(3) . . ?
N6 C36 N5 124.6(3) . . ?
N6 C36 C34 116.3(3) . . ?
N5 C36 C34 119.2(3) . . ?
N11 C37 N10 125.2(3) . . ?
N11 C37 C43 117.5(3) . . ?
N10 C37 C43 117.3(3) . . ?
C47 C39 C53 118.1(3) . . ?
N12 C40 N11 124.5(3) . . ?
N12 C40 C52 116.9(3) . . ?
N11 C40 C52 118.6(3) . . ?
N9 C41 C55 123.9(3) . . ?
N5 C42 N4 125.6(3) . . ?
N5 C42 C53 117.5(3) . . ?
N4 C42 C53 116.9(3) . . ?
C56 C43 C28 118.1(3) . . ?
C56 C43 C37 120.7(3) . . ?
C28 C43 C37 121.1(3) . . ?
N1 C44 C31 123.4(3) . . ?
C21 C45 C51 118.8(3) . . ?
C21 C45 C22 118.8(3) . . ?
C51 C45 C22 122.4(3) . . ?
N8 C46 C28 123.6(3) . . ?
N2 C47 C39 124.7(3) . . ?
N3 C48 C59 123.5(4) . . ?
N1 C49 C24 124.0(4) . . ?
N9 C50 C35 122.7(4) . . ?
C60 C51 C45 118.5(4) . . ?
C35 C52 C55 118.4(4) . . ?
C35 C52 C40 122.5(3) . . ?
C55 C52 C40 119.1(3) . . ?
C57 C53 C39 117.5(3) . . ?
C57 C53 C42 121.6(3) . . ?
C39 C53 C42 120.8(3) . . ?
N3 C54 C58 124.8(4) . . ?
C41 C55 C52 118.0(4) . . ?
C26 C56 C43 119.6(3) . . ?
C20 C57 C53 119.7(3) . . ?
C54 C58 C34 117.6(4) . . ?
C48 C59 C34 118.9(4) . . ?
N7 C60 C51 123.6(4) . . ?
C49 N1 C44 117.1(3) . . ?
C49 N1 Ag1 123.3(3) . . ?
C44 N1 Ag1 119.5(2) . . ?
C47 N2 C20 116.3(3) . . ?
C47 N2 Ag1 123.0(2) . 3 ?
C20 N2 Ag1 120.7(2) . 3 ?
C54 N3 C48 116.2(3) . . ?
C54 N3 Ag2 128.3(3) . . ?
C48 N3 Ag2 114.7(3) . . ?
C17 N4 C42 114.0(3) . . ?
C36 N5 C42 114.9(3) . . ?
C17 N6 C36 115.4(3) . . ?
C60 N7 C32 117.0(3) . . ?
C60 N7 Ag2 127.1(3) . . ?
C32 N7 Ag2 115.1(2) . . ?
C26 N8 C46 116.7(3) . . ?
C26 N8 Ag2 115.8(2) . 3_545 ?
C46 N8 Ag2 127.6(2) . 3_545 ?
C41 N9 C50 117.4(3) . . ?
C41 N9 Ag1 111.9(2) . 1_656 ?
C50 N9 Ag1 130.5(3) . 1_656 ?
C22 N10 C37 114.7(3) . . ?
C37 N11 C40 115.2(3) . . ?
C40 N12 C22 114.9(3) . . ?
O1 Mo1 O1 106.5(4) . 2_655 ?
O1 Mo1 O2 107.17(17) . . ?
O1 Mo1 O2 105.22(14) 2_655 . ?
O1 Mo1 O2 105.22(14) . 2_655 ?
O1 Mo1 O2 107.17(17) 2_655 2_655 ?
O2 Mo1 O2 124.42(17) . 2_655 ?
O3 Mo2 O4 104.01(14) . . ?
O3 Mo2 O5 100.54(13) . . ?
O4 Mo2 O5 102.10(12) . . ?
O3 Mo2 O2 100.65(13) . . ?
O4 Mo2 O2 93.84(12) . . ?
O5 Mo2 O2 149.44(12) . . ?
O3 Mo2 O7 91.00(12) . 2_655 ?
O4 Mo2 O7 163.54(12) . 2_655 ?
O5 Mo2 O7 81.36(11) . 2_655 ?
O2 Mo2 O7 76.50(11) . 2_655 ?
O3 Mo2 O6 166.44(12) . . ?
O4 Mo2 O6 89.32(12) . . ?
O5 Mo2 O6 73.76(10) . . ?
O2 Mo2 O6 80.60(11) . . ?
O7 Mo2 O6 76.09(10) 2_655 . ?
O10 Mo3 O9 103.66(13) . . ?
O10 Mo3 O11 102.22(13) . . ?
O9 Mo3 O11 97.71(12) . . ?
O10 Mo3 O5 98.42(13) . . ?
O9 Mo3 O5 99.93(13) . . ?
O11 Mo3 O5 148.74(11) . . ?
O10 Mo3 O12 90.40(11) . 2_655 ?
O9 Mo3 O12 165.22(12) . 2_655 ?
O11 Mo3 O12 74.48(10) . 2_655 ?
O5 Mo3 O12 82.20(10) . 2_655 ?
O10 Mo3 O6 162.55(11) . . ?
O9 Mo3 O6 92.73(12) . . ?
O11 Mo3 O6 81.10(11) . . ?
O5 Mo3 O6 72.49(10) . . ?
O12 Mo3 O6 73.85(10) 2_655 . ?
O13 Mo4 O13 105.3(2) 2_655 . ?
O13 Mo4 O11 101.99(12) 2_655 . ?
O13 Mo4 O11 104.18(13) . . ?
O13 Mo4 O11 104.18(13) 2_655 2_655 ?
O13 Mo4 O11 101.99(12) . 2_655 ?
O11 Mo4 O11 136.18(16) . 2_655 ?
O8 Mo5 O7 107.01(14) . . ?
O8 Mo5 O12 108.28(12) . . ?
O7 Mo5 O12 110.69(13) . . ?
O8 Mo5 O6 110.71(15) . . ?
O7 Mo5 O6 109.73(14) . . ?
O12 Mo5 O6 110.36(13) . . ?
Mo1 O2 Mo2 135.56(13) . . ?
Mo2 O5 Mo3 121.35(13) . . ?
Mo5 O6 Mo2 140.48(15) . . ?
Mo5 O6 Mo3 129.13(14) . . ?
Mo2 O6 Mo3 88.90(10) . . ?
Mo5 O7 Mo2 128.69(14) . 2_655 ?
Mo4 O11 Mo3 123.16(12) . . ?
Mo5 O12 Mo3 128.87(14) . 2_655 ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.043
_refine_diff_density_min         -1.122
_refine_diff_density_rms         0.109
_database_code_depnum_ccdc_archive 'CCDC 956834'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_220K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.63'
_chemical_formula_weight         2893.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0366(6)
_cell_length_b                   16.4532(6)
_cell_length_c                   25.6805(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.397(4)
_cell_angle_gamma                90.00
_cell_volume                     8411.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    220.00(10)
_cell_measurement_reflns_used    18294
_cell_measurement_theta_min      3.3160
_cell_measurement_theta_max      29.4340

_exptl_crystal_description       block-like
_exptl_crystal_colour            kermesinus
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.285
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5584
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77748
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      220.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19501
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7206
_reflns_number_gt                6346
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0208P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7206
_refine_ls_number_parameters     623
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0287
_refine_ls_wR_factor_ref         0.0636
_refine_ls_wR_factor_gt          0.0602
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_restrained_S_all      1.075
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.274042(14) 0.70856(2) -0.131802(13) 0.02775(9) Uani 1 1 d . . .
Ag2 Ag 0.794645(15) 1.00021(2) 0.367683(13) 0.03200(10) Uani 1 1 d . . .
C18 C 0.62836(18) 1.0621(2) -0.08821(17) 0.0230(9) Uani 1 1 d . . .
H18A H 0.5858 1.0404 -0.1094 0.028 Uiso 1 1 calc R . .
C19 C 0.42295(17) 1.4000(2) 0.39285(17) 0.0222(9) Uani 1 1 d . . .
H19A H 0.4033 1.4043 0.3529 0.027 Uiso 1 1 calc R . .
C22 C 0.62842(16) 1.0075(2) 0.00282(16) 0.0167(8) Uani 1 1 d . . .
C24 C 0.65412(17) 1.2190(2) 0.50174(16) 0.0177(8) Uani 1 1 d . . .
C26 C 0.48163(18) 1.3869(2) 0.50950(17) 0.0237(9) Uani 1 1 d . . .
H26A H 0.5006 1.3836 0.5495 0.028 Uiso 1 1 calc R . .
C29 C 0.40311(18) 0.8166(2) -0.11112(17) 0.0232(9) Uani 1 1 d . . .
H29A H 0.3850 0.8108 -0.1510 0.028 Uiso 1 1 calc R . .
C30 C 0.74388(17) 1.1331(2) 0.49673(16) 0.0213(8) Uani 1 1 d . . .
H30A H 0.7647 1.1328 0.5368 0.026 Uiso 1 1 calc R . .
C31 C 0.72318(17) 1.0864(2) 0.00014(17) 0.0229(9) Uani 1 1 d . . .
H31A H 0.7455 1.0821 0.0400 0.028 Uiso 1 1 calc R . .
C32 C 0.57523(17) 1.3009(2) 0.50731(16) 0.0171(8) Uani 1 1 d . . .
C33 C 0.66041(17) 1.0525(2) -0.02928(16) 0.0181(8) Uani 1 1 d . . .
C35 C 0.62810(17) 0.9764(2) 0.08825(16) 0.0187(8) Uani 1 1 d . . .
C36 C 0.77212(18) 1.0925(2) 0.46566(17) 0.0237(9) Uani 1 1 d . . .
H36A H 0.8125 1.0652 0.4858 0.028 Uiso 1 1 calc R . .
C37 C 0.46113(17) 0.8609(2) -0.08415(16) 0.0210(9) Uani 1 1 d . . .
H37A H 0.4818 0.8835 -0.1056 0.025 Uiso 1 1 calc R . .
C38 C 0.7800(2) 1.1983(3) 0.74082(18) 0.0308(10) Uani 1 1 d . . .
H38A H 0.8221 1.1746 0.7599 0.037 Uiso 1 1 calc R . .
C39 C 0.65853(17) 0.9869(2) 0.15185(16) 0.0210(9) Uani 1 1 d . . .
C40 C 0.69090(18) 1.2427(2) 0.65244(17) 0.0215(8) Uani 1 1 d . . .
C41 C 0.75254(19) 1.1271(3) -0.03035(17) 0.0285(10) Uani 1 1 d . . .
H41A H 0.7951 1.1494 -0.0101 0.034 Uiso 1 1 calc R . .
C42 C 0.55014(17) 0.9226(2) 0.00605(16) 0.0172(8) Uani 1 1 d . . .
C43 C 0.66106(18) 1.1051(2) -0.11533(17) 0.0255(9) Uani 1 1 d . . .
H43A H 0.6387 1.1127 -0.1550 0.031 Uiso 1 1 calc R . .
C44 C 0.71218(19) 1.0386(3) 0.17865(17) 0.0271(9) Uani 1 1 d . . .
H44A H 0.7280 1.0698 0.1569 0.033 Uiso 1 1 calc R . .
C45 C 0.48236(17) 1.3580(2) 0.41910(17) 0.0200(8) Uani 1 1 d . . .
H45A H 0.5021 1.3351 0.3970 0.024 Uiso 1 1 calc R . .
C46 C 0.68425(17) 1.1744(2) 0.46749(16) 0.0163(8) Uani 1 1 d . . .
C47 C 0.45688(17) 0.8341(2) 0.00548(16) 0.0193(8) Uani 1 1 d . . .
H47A H 0.4744 0.8379 0.0454 0.023 Uiso 1 1 calc R . .
C48 C 0.75343(19) 1.2073(3) 0.68173(17) 0.0283(10) Uani 1 1 d . . .
H48A H 0.7775 1.1896 0.6617 0.034 Uiso 1 1 calc R . .
C49 C 0.6869(2) 1.2569(3) 0.74328(18) 0.0304(10) Uani 1 1 d . . .
H49A H 0.6639 1.2742 0.7643 0.036 Uiso 1 1 calc R . .
C50 C 0.6563(2) 1.2683(2) 0.68386(18) 0.0274(9) Uani 1 1 d . . .
H50A H 0.6141 1.2923 0.6657 0.033 Uiso 1 1 calc R . .
C51 C 0.51278(17) 1.3500(2) 0.47833(16) 0.0190(8) Uani 1 1 d . . .
C52 C 0.65893(17) 1.2525(2) 0.58855(16) 0.0189(8) Uani 1 1 d . . .
C53 C 0.7421(2) 1.0438(3) 0.23781(18) 0.0315(10) Uani 1 1 d . . .
H53A H 0.7783 1.0789 0.2553 0.038 Uiso 1 1 calc R . .
C54 C 0.39894(18) 0.7909(2) -0.02520(17) 0.0210(9) Uani 1 1 d . . .
H54A H 0.3776 0.7669 -0.0048 0.025 Uiso 1 1 calc R . .
C55 C 0.65563(19) 1.1747(2) 0.40809(17) 0.0252(9) Uani 1 1 d . . .
H55A H 0.6163 1.2036 0.3873 0.030 Uiso 1 1 calc R . .
C56 C 0.63376(19) 0.9449(3) 0.18561(17) 0.0272(10) Uani 1 1 d . . .
H56A H 0.5957 0.9123 0.1689 0.033 Uiso 1 1 calc R . .
C57 C 0.6674(2) 0.9531(3) 0.24475(19) 0.0361(11) Uani 1 1 d . . .
H57A H 0.6514 0.9239 0.2673 0.043 Uiso 1 1 calc R . .
C58 C 0.42193(19) 1.4286(2) 0.47980(18) 0.0255(9) Uani 1 1 d . . .
H58A H 0.4017 1.4532 0.5009 0.031 Uiso 1 1 calc R . .
C59 C 0.48905(17) 0.8722(2) -0.02467(16) 0.0178(8) Uani 1 1 d . . .
C60 C 0.68672(19) 1.1312(3) 0.38001(18) 0.0269(9) Uani 1 1 d . . .
H60A H 0.6665 1.1303 0.3399 0.032 Uiso 1 1 calc R . .
N1 N 0.37117(14) 0.78101(18) -0.08254(14) 0.0198(7) Uani 1 1 d . . .
N2 N 0.72246(15) 1.1359(2) -0.08781(14) 0.0225(7) Uani 1 1 d . . .
N3 N 0.72127(16) 1.0001(2) 0.27168(14) 0.0294(8) Uani 1 1 d . . .
N4 N 0.57480(14) 0.96111(19) -0.02693(13) 0.0191(7) Uani 1 1 d . . .
N5 N 0.65627(14) 1.01856(19) 0.05975(13) 0.0200(7) Uani 1 1 d . . .
N6 N 0.57485(14) 0.92718(19) 0.06336(13) 0.0194(7) Uani 1 1 d . . .
N7 N 0.74459(15) 1.0901(2) 0.40779(14) 0.0238(7) Uani 1 1 d . . .
N8 N 0.39180(14) 1.43528(19) 0.42208(14) 0.0213(7) Uani 1 1 d . . .
N9 N 0.74691(16) 1.2228(2) 0.77201(14) 0.0290(8) Uani 1 1 d . . .
N10 N 0.59747(14) 1.26002(18) 0.47353(13) 0.0184(7) Uani 1 1 d . . .
N11 N 0.60422(15) 1.29900(19) 0.56492(14) 0.0216(7) Uani 1 1 d . . .
N12 N 0.68724(15) 1.21254(19) 0.55933(13) 0.0202(7) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.71282(4) -0.2500 0.03807(15) Uani 1 2 d S . .
Mo2 Mo 0.112056(15) 0.83834(2) -0.139657(14) 0.02000(9) Uani 1 1 d . . .
Mo3 Mo 0.117388(15) 1.04114(2) -0.143702(14) 0.02027(9) Uani 1 1 d . . .
Mo4 Mo 0.0000 1.15132(3) -0.2500 0.02818(13) Uani 1 2 d S . .
Mo5 Mo 0.050519(15) 0.94350(2) -0.291303(14) 0.01841(9) Uani 1 1 d . . .
O1 O -0.01704(18) 0.6507(3) -0.2051(2) 0.0992(18) Uani 1 1 d . . .
O2 O 0.07901(13) 0.76471(17) -0.20686(12) 0.0308(7) Uani 1 1 d . . .
O3 O 0.19359(13) 0.83319(18) -0.13022(13) 0.0345(7) Uani 1 1 d . . .
O4 O 0.11000(14) 0.77527(18) -0.08794(13) 0.0374(7) Uani 1 1 d . . .
O5 O 0.00277(13) 0.85493(18) -0.32141(13) 0.0368(7) Uani 1 1 d . . .
O6 O 0.10967(14) 0.94996(18) -0.31720(14) 0.0382(8) Uani 1 1 d . . .
O7 O 0.08966(15) 0.93580(17) -0.21427(12) 0.0353(7) Uani 1 1 d . . .
O8 O 0.10938(12) 0.94020(16) -0.10743(11) 0.0269(6) Uani 1 1 d . . .
O9 O 0.11447(13) 1.10670(18) -0.09430(13) 0.0360(7) Uani 1 1 d . . .
O10 O 0.20024(13) 1.03745(18) -0.12898(13) 0.0360(7) Uani 1 1 d . . .
O11 O -0.00128(12) 1.03253(17) -0.31366(12) 0.0292(7) Uani 1 1 d . . .
O12 O 0.08790(13) 1.10827(17) -0.21220(12) 0.0300(7) Uani 1 1 d . . .
O13 O -0.00730(16) 1.2140(2) -0.20032(14) 0.0447(8) Uani 1 1 d . . .
O14 O -0.0807(5) 1.3633(6) -0.2324(4) 0.095(3) Uani 0.50 1 d P . .
H14A H -0.0583 1.3193 -0.2232 0.143 Uiso 0.50 1 d PR . .
H14B H -0.0605 1.3965 -0.2448 0.143 Uiso 0.50 1 d PR . .
O15 O 0.0131(12) 1.4818(11) -0.2234(9) 0.128(10) Uani 0.25 1 d P . .
H15A H 0.0019 1.5290 -0.2174 0.192 Uiso 0.25 1 d PR . .
H15B H -0.0172 1.4484 -0.2252 0.192 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.258(3) 3_445 ?
Ag1 N9 2.291(3) 3_444 ?
Ag1 N1 2.298(3) . ?
Ag2 N8 2.261(3) 3_545 ?
Ag2 N3 2.296(3) . ?
Ag2 N7 2.332(3) . ?
C18 C33 1.377(5) . ?
C18 C43 1.391(5) . ?
C19 N8 1.346(4) . ?
C19 C45 1.374(5) . ?
C22 N5 1.333(5) . ?
C22 N4 1.337(5) . ?
C22 C33 1.491(5) . ?
C24 N10 1.328(5) . ?
C24 N12 1.344(5) . ?
C24 C46 1.501(5) . ?
C26 C58 1.386(5) . ?
C26 C51 1.397(5) . ?
C29 N1 1.349(4) . ?
C29 C37 1.374(5) . ?
C30 C36 1.378(5) . ?
C30 C46 1.380(5) . ?
C31 C33 1.378(5) . ?
C31 C41 1.384(5) . ?
C32 N11 1.337(5) . ?
C32 N10 1.346(4) . ?
C32 C51 1.491(5) . ?
C35 N6 1.341(5) . ?
C35 N5 1.339(4) . ?
C35 C39 1.486(5) . ?
C36 N7 1.343(5) . ?
C37 C59 1.393(5) . ?
C38 N9 1.354(5) . ?
C38 C48 1.380(5) . ?
C39 C44 1.378(5) . ?
C39 C56 1.390(5) . ?
C40 C48 1.384(5) . ?
C40 C50 1.392(5) . ?
C40 C52 1.491(5) . ?
C41 N2 1.341(5) . ?
C42 N6 1.335(5) . ?
C42 N4 1.345(4) . ?
C42 C59 1.487(5) . ?
C43 N2 1.330(5) . ?
C44 C53 1.375(6) . ?
C45 C51 1.380(5) . ?
C46 C55 1.378(5) . ?
C47 C54 1.376(5) . ?
C47 C59 1.402(5) . ?
C49 N9 1.331(5) . ?
C49 C50 1.391(6) . ?
C52 N11 1.334(5) . ?
C52 N12 1.336(4) . ?
C53 N3 1.351(5) . ?
C54 N1 1.340(5) . ?
C55 C60 1.388(5) . ?
C56 C57 1.381(6) . ?
C57 N3 1.335(5) . ?
C58 N8 1.344(5) . ?
C60 N7 1.346(5) . ?
N2 Ag1 2.258(3) 3 ?
N8 Ag2 2.261(3) 3_455 ?
N9 Ag1 2.291(3) 3_556 ?
Mo1 O1 1.700(4) . ?
Mo1 O1 1.700(4) 2_554 ?
Mo1 O2 1.826(3) . ?
Mo1 O2 1.826(3) 2_554 ?
Mo2 O4 1.701(3) . ?
Mo2 O3 1.709(2) . ?
Mo2 O8 1.881(3) . ?
Mo2 O2 1.974(3) . ?
Mo2 O5 2.304(3) 2_554 ?
Mo2 O7 2.382(3) . ?
Mo3 O9 1.687(3) . ?
Mo3 O10 1.699(3) . ?
Mo3 O12 1.938(3) . ?
Mo3 O8 1.949(3) . ?
Mo3 O11 2.316(2) 2_554 ?
Mo3 O7 2.390(3) . ?
Mo4 O13 1.701(3) . ?
Mo4 O13 1.701(3) 2_554 ?
Mo4 O12 1.893(3) 2_554 ?
Mo4 O12 1.893(3) . ?
Mo5 O6 1.702(2) . ?
Mo5 O5 1.769(3) . ?
Mo5 O7 1.792(3) . ?
Mo5 O11 1.793(3) . ?
O5 Mo2 2.304(3) 2_554 ?
O11 Mo3 2.316(2) 2_554 ?
O15 O15 1.23(4) 2_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N9 129.72(12) 3_445 3_444 ?
N2 Ag1 N1 123.30(11) 3_445 . ?
N9 Ag1 N1 106.94(11) 3_444 . ?
N8 Ag2 N3 135.02(11) 3_545 . ?
N8 Ag2 N7 121.91(11) 3_545 . ?
N3 Ag2 N7 103.06(11) . . ?
C33 C18 C43 118.5(4) . . ?
N8 C19 C45 123.3(3) . . ?
N5 C22 N4 125.6(3) . . ?
N5 C22 C33 115.7(3) . . ?
N4 C22 C33 118.6(3) . . ?
N10 C24 N12 125.5(3) . . ?
N10 C24 C46 118.5(3) . . ?
N12 C24 C46 116.0(3) . . ?
C58 C26 C51 118.9(4) . . ?
N1 C29 C37 123.1(4) . . ?
C36 C30 C46 119.0(4) . . ?
C33 C31 C41 119.3(4) . . ?
N11 C32 N10 124.6(3) . . ?
N11 C32 C51 117.8(3) . . ?
N10 C32 C51 117.6(3) . . ?
C18 C33 C31 118.5(3) . . ?
C18 C33 C22 121.6(3) . . ?
C31 C33 C22 120.0(3) . . ?
N6 C35 N5 124.7(3) . . ?
N6 C35 C39 119.0(3) . . ?
N5 C35 C39 116.4(3) . . ?
N7 C36 C30 123.6(4) . . ?
C29 C37 C59 120.1(3) . . ?
N9 C38 C48 122.5(4) . . ?
C44 C39 C56 118.5(3) . . ?
C44 C39 C35 120.5(3) . . ?
C56 C39 C35 121.0(3) . . ?
C48 C40 C50 118.6(4) . . ?
C48 C40 C52 122.3(3) . . ?
C50 C40 C52 119.2(3) . . ?
N2 C41 C31 123.0(4) . . ?
N6 C42 N4 125.7(3) . . ?
N6 C42 C59 117.7(3) . . ?
N4 C42 C59 116.6(3) . . ?
N2 C43 C18 123.7(4) . . ?
C53 C44 C39 119.5(4) . . ?
C19 C45 C51 119.9(3) . . ?
C55 C46 C30 118.8(3) . . ?
C55 C46 C24 122.6(3) . . ?
C30 C46 C24 118.6(3) . . ?
C54 C47 C59 118.7(3) . . ?
C38 C48 C40 119.7(3) . . ?
N9 C49 C50 124.3(4) . . ?
C49 C50 C40 117.8(4) . . ?
C45 C51 C26 117.7(3) . . ?
C45 C51 C32 120.6(3) . . ?
C26 C51 C32 121.6(3) . . ?
N11 C52 N12 125.1(3) . . ?
N11 C52 C40 118.1(3) . . ?
N12 C52 C40 116.8(3) . . ?
N3 C53 C44 123.0(4) . . ?
N1 C54 C47 124.5(3) . . ?
C46 C55 C60 118.6(4) . . ?
C57 C56 C39 117.9(4) . . ?
N3 C57 C56 124.4(4) . . ?
N8 C58 C26 123.4(3) . . ?
C37 C59 C47 117.1(3) . . ?
C37 C59 C42 122.0(3) . . ?
C47 C59 C42 120.9(3) . . ?
N7 C60 C55 123.4(4) . . ?
C54 N1 C29 116.5(3) . . ?
C54 N1 Ag1 123.1(2) . . ?
C29 N1 Ag1 120.4(3) . . ?
C43 N2 C41 117.0(3) . . ?
C43 N2 Ag1 123.5(3) . 3 ?
C41 N2 Ag1 119.4(2) . 3 ?
C57 N3 C53 116.5(4) . . ?
C57 N3 Ag2 128.1(3) . . ?
C53 N3 Ag2 114.4(3) . . ?
C22 N4 C42 114.0(3) . . ?
C22 N5 C35 115.2(3) . . ?
C42 N6 C35 114.8(3) . . ?
C36 N7 C60 116.6(3) . . ?
C36 N7 Ag2 115.6(2) . . ?
C60 N7 Ag2 127.2(3) . . ?
C58 N8 C19 116.8(3) . . ?
C58 N8 Ag2 127.5(2) . 3_455 ?
C19 N8 Ag2 115.7(2) . 3_455 ?
C49 N9 C38 117.1(3) . . ?
C49 N9 Ag1 112.2(2) . 3_556 ?
C38 N9 Ag1 130.5(3) . 3_556 ?
C24 N10 C32 114.8(3) . . ?
C52 N11 C32 115.3(3) . . ?
C52 N12 C24 114.6(3) . . ?
O1 Mo1 O1 106.0(4) . 2_554 ?
O1 Mo1 O2 107.48(18) . . ?
O1 Mo1 O2 105.22(15) 2_554 . ?
O1 Mo1 O2 105.22(15) . 2_554 ?
O1 Mo1 O2 107.48(18) 2_554 2_554 ?
O2 Mo1 O2 124.24(18) . 2_554 ?
O4 Mo2 O3 103.73(14) . . ?
O4 Mo2 O8 100.58(13) . . ?
O3 Mo2 O8 102.20(12) . . ?
O4 Mo2 O2 100.65(13) . . ?
O3 Mo2 O2 93.71(12) . . ?
O8 Mo2 O2 149.51(12) . . ?
O4 Mo2 O5 91.09(12) . 2_554 ?
O3 Mo2 O5 163.68(12) . 2_554 ?
O8 Mo2 O5 81.34(11) . 2_554 ?
O2 Mo2 O5 76.62(11) . 2_554 ?
O4 Mo2 O7 166.60(12) . . ?
O3 Mo2 O7 89.42(12) . . ?
O8 Mo2 O7 73.71(10) . . ?
O2 Mo2 O7 80.70(11) . . ?
O5 Mo2 O7 76.18(10) 2_554 . ?
O9 Mo3 O10 103.84(14) . . ?
O9 Mo3 O12 102.24(14) . . ?
O10 Mo3 O12 97.61(12) . . ?
O9 Mo3 O8 98.33(13) . . ?
O10 Mo3 O8 99.91(13) . . ?
O12 Mo3 O8 148.83(11) . . ?
O9 Mo3 O11 90.23(11) . 2_554 ?
O10 Mo3 O11 165.19(13) . 2_554 ?
O12 Mo3 O11 74.53(10) . 2_554 ?
O8 Mo3 O11 82.28(10) . 2_554 ?
O9 Mo3 O7 162.54(11) . . ?
O10 Mo3 O7 92.51(13) . . ?
O12 Mo3 O7 81.25(11) . . ?
O8 Mo3 O7 72.44(10) . . ?
O11 Mo3 O7 74.08(10) 2_554 . ?
O13 Mo4 O13 105.4(2) . 2_554 ?
O13 Mo4 O12 101.91(13) . 2_554 ?
O13 Mo4 O12 104.32(14) 2_554 2_554 ?
O13 Mo4 O12 104.32(14) . . ?
O13 Mo4 O12 101.91(13) 2_554 . ?
O12 Mo4 O12 136.04(17) 2_554 . ?
O6 Mo5 O5 107.00(14) . . ?
O6 Mo5 O7 110.44(15) . . ?
O5 Mo5 O7 109.80(14) . . ?
O6 Mo5 O11 108.23(12) . . ?
O5 Mo5 O11 110.81(13) . . ?
O7 Mo5 O11 110.49(13) . . ?
Mo1 O2 Mo2 135.69(14) . . ?
Mo5 O5 Mo2 128.60(14) . 2_554 ?
Mo5 O7 Mo2 140.47(15) . . ?
Mo5 O7 Mo3 129.16(14) . . ?
Mo2 O7 Mo3 88.90(9) . . ?
Mo2 O8 Mo3 121.51(13) . . ?
Mo5 O11 Mo3 128.59(14) . 2_554 ?
Mo4 O12 Mo3 123.35(12) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.133
_refine_diff_density_min         -1.274
_refine_diff_density_rms         0.107
_database_code_depnum_ccdc_archive 'CCDC 956835'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_250K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0248(6)
_cell_length_b                   16.4933(6)
_cell_length_c                   25.6766(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.385(4)
_cell_angle_gamma                90.00
_cell_volume                     8426.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    250.01(10)
_cell_measurement_reflns_used    17715
_cell_measurement_theta_min      3.3090
_cell_measurement_theta_max      29.2160

_exptl_crystal_description       block-like
_exptl_crystal_colour            kermesinus
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.149
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77748
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      250.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19551
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0441
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7214
_reflns_number_gt                6334
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0240P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000031(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7214
_refine_ls_number_parameters     614
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0356
_refine_ls_R_factor_gt           0.0296
_refine_ls_wR_factor_ref         0.0687
_refine_ls_wR_factor_gt          0.0647
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.101
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.273961(15) 0.70871(2) -0.131752(14) 0.03117(10) Uani 1 1 d . . .
Ag2 Ag 0.794718(16) 1.00057(2) 0.367701(14) 0.03586(11) Uani 1 1 d . . .
C18 C 0.62799(19) 1.0622(2) -0.08869(18) 0.0249(9) Uani 1 1 d . . .
H18A H 0.5853 1.0408 -0.1100 0.030 Uiso 1 1 calc R . .
C19 C 0.42269(19) 1.4000(2) 0.39269(18) 0.0243(9) Uani 1 1 d . . .
H19A H 0.4030 1.4043 0.3527 0.029 Uiso 1 1 calc R . .
C20 C 0.65417(18) 1.2191(2) 0.50159(17) 0.0190(8) Uani 1 1 d . . .
C23 C 0.62828(17) 1.0072(2) 0.00273(17) 0.0190(8) Uani 1 1 d . . .
C26 C 0.48185(18) 1.3869(2) 0.50967(18) 0.0262(9) Uani 1 1 d . . .
H26A H 0.5011 1.3839 0.5497 0.031 Uiso 1 1 calc R . .
C27 C 0.40318(18) 0.8164(2) -0.11073(18) 0.0255(9) Uani 1 1 d . . .
H27A H 0.3851 0.8105 -0.1506 0.031 Uiso 1 1 calc R . .
C30 C 0.74352(18) 1.1332(2) 0.49657(17) 0.0223(9) Uani 1 1 d . . .
H30A H 0.7641 1.1327 0.5367 0.027 Uiso 1 1 calc R . .
C31 C 0.57522(18) 1.3010(2) 0.50741(17) 0.0199(8) Uani 1 1 d . . .
C32 C 0.72338(18) 1.0867(3) 0.00010(18) 0.0272(10) Uani 1 1 d . . .
H32A H 0.7459 1.0825 0.0400 0.033 Uiso 1 1 calc R . .
C34 C 0.77208(19) 1.0923(2) 0.46552(18) 0.0252(9) Uani 1 1 d . . .
H34A H 0.8123 1.0648 0.4857 0.030 Uiso 1 1 calc R . .
C35 C 0.62797(18) 0.9767(2) 0.08817(17) 0.0214(9) Uani 1 1 d . . .
C36 C 0.66035(18) 1.0524(2) -0.02940(17) 0.0201(9) Uani 1 1 d . . .
C37 C 0.46102(18) 0.8612(2) -0.08406(17) 0.0227(9) Uani 1 1 d . . .
H37A H 0.4813 0.8842 -0.1057 0.027 Uiso 1 1 calc R . .
C38 C 0.7520(2) 1.1269(3) -0.03051(19) 0.0306(10) Uani 1 1 d . . .
H38A H 0.7944 1.1494 -0.0103 0.037 Uiso 1 1 calc R . .
C39 C 0.68396(17) 1.1750(2) 0.46714(16) 0.0189(8) Uani 1 1 d . . .
C40 C 0.65826(18) 0.9866(2) 0.15177(17) 0.0223(9) Uani 1 1 d . . .
C41 C 0.45707(18) 0.8341(2) 0.00551(17) 0.0214(9) Uani 1 1 d . . .
H41A H 0.4746 0.8381 0.0454 0.026 Uiso 1 1 calc R . .
C42 C 0.7798(2) 1.1986(3) 0.74071(19) 0.0343(11) Uani 1 1 d . . .
H42A H 0.8219 1.1746 0.7598 0.041 Uiso 1 1 calc R . .
C43 C 0.7123(2) 1.0384(3) 0.17844(18) 0.0311(10) Uani 1 1 d . . .
H43A H 0.7285 1.0689 0.1567 0.037 Uiso 1 1 calc R . .
C44 C 0.48227(18) 1.3578(2) 0.41911(17) 0.0219(9) Uani 1 1 d . . .
H44A H 0.5020 1.3348 0.3970 0.026 Uiso 1 1 calc R . .
C45 C 0.69074(19) 1.2427(3) 0.65224(17) 0.0250(9) Uani 1 1 d . . .
C46 C 0.66105(19) 1.1047(3) -0.11525(18) 0.0284(10) Uani 1 1 d . . .
H46A H 0.6389 1.1121 -0.1549 0.034 Uiso 1 1 calc R . .
C47 C 0.54988(18) 0.9227(2) 0.00579(17) 0.0193(8) Uani 1 1 d . . .
C48 C 0.7534(2) 1.2074(3) 0.68172(18) 0.0312(10) Uani 1 1 d . . .
H48A H 0.7775 1.1898 0.6617 0.037 Uiso 1 1 calc R . .
C49 C 0.6566(2) 1.2681(3) 0.68412(19) 0.0303(10) Uani 1 1 d . . .
H49A H 0.6144 1.2921 0.6661 0.036 Uiso 1 1 calc R . .
C50 C 0.6868(2) 1.2571(3) 0.74319(19) 0.0339(11) Uani 1 1 d . . .
H50A H 0.6637 1.2742 0.7641 0.041 Uiso 1 1 calc R . .
C51 C 0.7417(2) 1.0439(3) 0.23765(19) 0.0344(11) Uani 1 1 d . . .
H51A H 0.7775 1.0795 0.2551 0.041 Uiso 1 1 calc R . .
C52 C 0.39890(19) 0.7906(2) -0.02508(18) 0.0235(9) Uani 1 1 d . . .
H52A H 0.3776 0.7666 -0.0046 0.028 Uiso 1 1 calc R . .
C53 C 0.51252(18) 1.3499(2) 0.47817(17) 0.0211(9) Uani 1 1 d . . .
C54 C 0.65874(18) 1.2524(2) 0.58861(17) 0.0226(9) Uani 1 1 d . . .
C55 C 0.6556(2) 1.1746(3) 0.40785(18) 0.0271(9) Uani 1 1 d . . .
H55A H 0.6162 1.2031 0.3868 0.032 Uiso 1 1 calc R . .
C56 C 0.6335(2) 0.9445(3) 0.18542(18) 0.0304(10) Uani 1 1 d . . .
H56A H 0.5957 0.9117 0.1688 0.036 Uiso 1 1 calc R . .
C57 C 0.4221(2) 1.4283(3) 0.47993(19) 0.0285(10) Uani 1 1 d . . .
H57A H 0.4019 1.4528 0.5011 0.034 Uiso 1 1 calc R . .
C58 C 0.48923(17) 0.8720(2) -0.02469(17) 0.0191(8) Uani 1 1 d . . .
C59 C 0.6672(2) 0.9533(3) 0.2444(2) 0.0391(12) Uani 1 1 d . . .
H59A H 0.6511 0.9242 0.2669 0.047 Uiso 1 1 calc R . .
C60 C 0.6867(2) 1.1311(3) 0.38010(18) 0.0304(10) Uani 1 1 d . . .
H60A H 0.6665 1.1299 0.3400 0.036 Uiso 1 1 calc R . .
N1 N 0.37125(15) 0.78079(19) -0.08238(14) 0.0218(7) Uani 1 1 d . . .
N2 N 0.72237(16) 1.1356(2) -0.08782(15) 0.0252(8) Uani 1 1 d . . .
N3 N 0.72120(17) 1.0002(2) 0.27180(15) 0.0331(9) Uani 1 1 d . . .
N4 N 0.57468(15) 0.9610(2) -0.02700(14) 0.0207(7) Uani 1 1 d . . .
N5 N 0.65627(15) 1.0185(2) 0.05984(14) 0.0220(7) Uani 1 1 d . . .
N6 N 0.57488(15) 0.9275(2) 0.06315(14) 0.0219(7) Uani 1 1 d . . .
N7 N 0.74471(16) 1.0902(2) 0.40804(15) 0.0267(8) Uani 1 1 d . . .
N8 N 0.74701(17) 1.2233(2) 0.77197(15) 0.0309(9) Uani 1 1 d . . .
N9 N 0.39173(15) 1.4352(2) 0.42212(15) 0.0245(8) Uani 1 1 d . . .
N10 N 0.59751(15) 1.2602(2) 0.47349(14) 0.0214(7) Uani 1 1 d . . .
N11 N 0.68699(15) 1.21260(19) 0.55933(14) 0.0213(7) Uani 1 1 d . . .
N12 N 0.60405(16) 1.2993(2) 0.56481(14) 0.0247(8) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.71338(4) -0.2500 0.04103(16) Uani 1 2 d S . .
Mo2 Mo 0.112037(16) 0.83872(2) -0.139639(15) 0.02227(10) Uani 1 1 d . . .
Mo3 Mo 0.117262(16) 1.04102(2) -0.143662(15) 0.02255(10) Uani 1 1 d . . .
Mo4 Mo 0.0000 1.15149(4) -0.2500 0.03176(14) Uani 1 2 d S . .
Mo5 Mo 0.050635(16) 0.94357(2) -0.291292(15) 0.02049(10) Uani 1 1 d . . .
O1 O -0.01738(19) 0.6515(3) -0.2053(2) 0.109(2) Uani 1 1 d . . .
O2 O 0.07886(14) 0.76483(18) -0.20661(13) 0.0336(7) Uani 1 1 d . . .
O3 O 0.11004(15) 0.7763(2) -0.08785(14) 0.0422(8) Uani 1 1 d . . .
O4 O 0.19354(14) 0.83352(19) -0.13027(14) 0.0384(8) Uani 1 1 d . . .
O5 O 0.10965(13) 0.94039(17) -0.10726(12) 0.0304(7) Uani 1 1 d . . .
O6 O 0.08928(16) 0.93571(18) -0.21440(13) 0.0388(8) Uani 1 1 d . . .
O7 O 0.10955(15) 0.94995(18) -0.31722(15) 0.0415(9) Uani 1 1 d . . .
O8 O 0.00306(14) 0.85547(19) -0.32157(14) 0.0406(8) Uani 1 1 d . . .
O9 O 0.20021(14) 1.0374(2) -0.12912(14) 0.0412(8) Uani 1 1 d . . .
O10 O 0.11462(14) 1.10640(19) -0.09421(13) 0.0408(8) Uani 1 1 d . . .
O11 O 0.08774(14) 1.10801(18) -0.21214(13) 0.0344(7) Uani 1 1 d . . .
O12 O -0.00101(13) 1.03250(18) -0.31390(13) 0.0331(7) Uani 1 1 d . . .
O13 O -0.00761(17) 1.2136(2) -0.20059(15) 0.0512(9) Uani 1 1 d . . .
O14 O -0.0808(5) 1.3629(6) -0.2326(4) 0.094(3) Uiso 0.50 1 d P . .
H14A H -0.0523 1.4004 -0.2272 0.142 Uiso 0.50 1 d PR . .
H14B H -0.0600 1.3180 -0.2234 0.142 Uiso 0.50 1 d PR . .
O15 O 0.0114(13) 1.4836(14) -0.2230(9) 0.133(9) Uiso 0.25 1 d P . .
H15A H -0.0015 1.5315 -0.2207 0.200 Uiso 0.25 1 d PR . .
H15B H -0.0208 1.4511 -0.2287 0.200 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.262(3) 3_445 ?
Ag1 N8 2.294(3) 3_444 ?
Ag1 N1 2.298(3) . ?
Ag2 N9 2.263(3) 3_545 ?
Ag2 N3 2.295(4) . ?
Ag2 N7 2.335(3) . ?
C18 C46 1.383(5) . ?
C18 C36 1.386(6) . ?
C19 N9 1.347(5) . ?
C19 C44 1.379(5) . ?
C20 N10 1.329(5) . ?
C20 N11 1.347(5) . ?
C20 C39 1.496(5) . ?
C23 N4 1.336(5) . ?
C23 N5 1.338(5) . ?
C23 C36 1.494(5) . ?
C26 C57 1.385(5) . ?
C26 C53 1.397(5) . ?
C27 N1 1.345(5) . ?
C27 C37 1.374(5) . ?
C30 C39 1.385(5) . ?
C30 C34 1.385(5) . ?
C31 N12 1.332(5) . ?
C31 N10 1.348(5) . ?
C31 C53 1.494(5) . ?
C32 C38 1.371(5) . ?
C32 C36 1.385(5) . ?
C34 N7 1.334(5) . ?
C35 N5 1.334(5) . ?
C35 N6 1.340(5) . ?
C35 C40 1.485(5) . ?
C37 C58 1.389(5) . ?
C38 N2 1.337(5) . ?
C39 C55 1.376(5) . ?
C40 C43 1.383(6) . ?
C40 C56 1.389(5) . ?
C41 C52 1.382(5) . ?
C41 C58 1.401(5) . ?
C42 N8 1.353(5) . ?
C42 C48 1.378(6) . ?
C43 C51 1.377(6) . ?
C44 C53 1.376(5) . ?
C45 C48 1.385(6) . ?
C45 C49 1.393(5) . ?
C45 C54 1.485(5) . ?
C46 N2 1.328(5) . ?
C47 N6 1.335(5) . ?
C47 N4 1.342(5) . ?
C47 C58 1.484(5) . ?
C49 C50 1.382(6) . ?
C50 N8 1.331(5) . ?
C51 N3 1.355(5) . ?
C52 N1 1.339(5) . ?
C54 N11 1.336(5) . ?
C54 N12 1.338(5) . ?
C55 C60 1.381(5) . ?
C56 C59 1.378(6) . ?
C57 N9 1.346(5) . ?
C59 N3 1.338(6) . ?
C60 N7 1.348(5) . ?
N2 Ag1 2.262(3) 3 ?
N8 Ag1 2.294(3) 3_556 ?
N9 Ag2 2.263(3) 3_455 ?
Mo1 O1 1.698(4) 2_554 ?
Mo1 O1 1.698(4) . ?
Mo1 O2 1.822(3) . ?
Mo1 O2 1.822(3) 2_554 ?
Mo2 O3 1.697(3) . ?
Mo2 O4 1.708(3) . ?
Mo2 O5 1.882(3) . ?
Mo2 O2 1.974(3) . ?
Mo2 O8 2.309(3) 2_554 ?
Mo2 O6 2.381(3) . ?
Mo3 O10 1.686(3) . ?
Mo3 O9 1.702(3) . ?
Mo3 O11 1.938(3) . ?
Mo3 O5 1.947(3) . ?
Mo3 O12 2.318(3) 2_554 ?
Mo3 O6 2.395(3) . ?
Mo4 O13 1.694(3) . ?
Mo4 O13 1.694(3) 2_554 ?
Mo4 O11 1.893(3) 2_554 ?
Mo4 O11 1.893(3) . ?
Mo5 O7 1.697(3) . ?
Mo5 O8 1.765(3) . ?
Mo5 O6 1.788(3) . ?
Mo5 O12 1.793(3) . ?
O8 Mo2 2.309(3) 2_554 ?
O12 Mo3 2.318(3) 2_554 ?
O15 O15 1.26(4) 2_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.80(12) 3_445 3_444 ?
N2 Ag1 N1 123.34(12) 3_445 . ?
N8 Ag1 N1 106.82(12) 3_444 . ?
N9 Ag2 N3 134.93(12) 3_545 . ?
N9 Ag2 N7 121.88(12) 3_545 . ?
N3 Ag2 N7 103.17(12) . . ?
C46 C18 C36 118.0(4) . . ?
N9 C19 C44 123.0(4) . . ?
N10 C20 N11 125.1(3) . . ?
N10 C20 C39 118.4(3) . . ?
N11 C20 C39 116.6(3) . . ?
N4 C23 N5 125.8(3) . . ?
N4 C23 C36 118.7(3) . . ?
N5 C23 C36 115.6(3) . . ?
C57 C26 C53 118.5(4) . . ?
N1 C27 C37 123.6(4) . . ?
C39 C30 C34 119.1(4) . . ?
N12 C31 N10 124.8(3) . . ?
N12 C31 C53 117.9(3) . . ?
N10 C31 C53 117.3(3) . . ?
C38 C32 C36 118.9(4) . . ?
N7 C34 C30 123.2(4) . . ?
N5 C35 N6 124.5(4) . . ?
N5 C35 C40 116.6(3) . . ?
N6 C35 C40 118.8(3) . . ?
C18 C36 C32 118.4(3) . . ?
C18 C36 C23 121.5(3) . . ?
C32 C36 C23 120.1(3) . . ?
C27 C37 C58 119.9(3) . . ?
N2 C38 C32 123.7(4) . . ?
C55 C39 C30 118.4(3) . . ?
C55 C39 C20 123.4(3) . . ?
C30 C39 C20 118.2(3) . . ?
C43 C40 C56 118.9(4) . . ?
C43 C40 C35 119.9(3) . . ?
C56 C40 C35 121.2(4) . . ?
C52 C41 C58 118.8(4) . . ?
N8 C42 C48 122.6(4) . . ?
C51 C43 C40 119.1(4) . . ?
C19 C44 C53 119.9(3) . . ?
C48 C45 C49 117.9(4) . . ?
C48 C45 C54 122.6(3) . . ?
C49 C45 C54 119.5(4) . . ?
N2 C46 C18 124.3(4) . . ?
N6 C47 N4 125.3(3) . . ?
N6 C47 C58 117.9(3) . . ?
N4 C47 C58 116.8(3) . . ?
C42 C48 C45 119.9(4) . . ?
C50 C49 C45 118.5(4) . . ?
N8 C50 C49 124.1(4) . . ?
N3 C51 C43 123.3(4) . . ?
N1 C52 C41 124.1(3) . . ?
C44 C53 C26 118.1(4) . . ?
C44 C53 C31 120.8(3) . . ?
C26 C53 C31 121.1(4) . . ?
N11 C54 N12 124.9(4) . . ?
N11 C54 C45 116.8(3) . . ?
N12 C54 C45 118.3(3) . . ?
C39 C55 C60 118.9(4) . . ?
C59 C56 C40 117.5(4) . . ?
N9 C57 C26 123.7(4) . . ?
C37 C58 C41 117.1(3) . . ?
C37 C58 C47 122.0(3) . . ?
C41 C58 C47 120.9(3) . . ?
N3 C59 C56 125.2(4) . . ?
N7 C60 C55 123.5(4) . . ?
C52 N1 C27 116.4(3) . . ?
C52 N1 Ag1 123.1(2) . . ?
C27 N1 Ag1 120.5(3) . . ?
C46 N2 C38 116.6(3) . . ?
C46 N2 Ag1 123.7(3) . 3 ?
C38 N2 Ag1 119.6(3) . 3 ?
C59 N3 C51 115.8(4) . . ?
C59 N3 Ag2 128.7(3) . . ?
C51 N3 Ag2 114.5(3) . . ?
C23 N4 C47 114.1(3) . . ?
C35 N5 C23 115.0(3) . . ?
C47 N6 C35 115.3(3) . . ?
C34 N7 C60 116.9(3) . . ?
C34 N7 Ag2 115.5(3) . . ?
C60 N7 Ag2 126.9(3) . . ?
C50 N8 C42 117.0(4) . . ?
C50 N8 Ag1 112.2(3) . 3_556 ?
C42 N8 Ag1 130.6(3) . 3_556 ?
C57 N9 C19 116.8(3) . . ?
C57 N9 Ag2 127.8(2) . 3_455 ?
C19 N9 Ag2 115.5(3) . 3_455 ?
C20 N10 C31 114.9(3) . . ?
C54 N11 C20 114.9(3) . . ?
C31 N12 C54 115.2(3) . . ?
O1 Mo1 O1 106.1(4) 2_554 . ?
O1 Mo1 O2 105.14(16) 2_554 . ?
O1 Mo1 O2 107.37(19) . . ?
O1 Mo1 O2 107.37(19) 2_554 2_554 ?
O1 Mo1 O2 105.14(16) . 2_554 ?
O2 Mo1 O2 124.48(19) . 2_554 ?
O3 Mo2 O4 103.76(15) . . ?
O3 Mo2 O5 100.33(14) . . ?
O4 Mo2 O5 102.07(13) . . ?
O3 Mo2 O2 100.58(14) . . ?
O4 Mo2 O2 93.78(13) . . ?
O5 Mo2 O2 149.82(12) . . ?
O3 Mo2 O8 91.04(13) . 2_554 ?
O4 Mo2 O8 163.77(13) . 2_554 ?
O5 Mo2 O8 81.40(12) . 2_554 ?
O2 Mo2 O8 76.72(11) . 2_554 ?
O3 Mo2 O6 166.40(13) . . ?
O4 Mo2 O6 89.57(13) . . ?
O5 Mo2 O6 73.83(11) . . ?
O2 Mo2 O6 80.86(11) . . ?
O8 Mo2 O6 76.06(11) 2_554 . ?
O10 Mo3 O9 103.74(15) . . ?
O10 Mo3 O11 102.26(15) . . ?
O9 Mo3 O11 97.47(13) . . ?
O10 Mo3 O5 98.38(14) . . ?
O9 Mo3 O5 99.80(13) . . ?
O11 Mo3 O5 149.00(12) . . ?
O10 Mo3 O12 90.29(12) . 2_554 ?
O9 Mo3 O12 165.20(13) . 2_554 ?
O11 Mo3 O12 74.61(11) . 2_554 ?
O5 Mo3 O12 82.47(11) . 2_554 ?
O10 Mo3 O6 162.63(12) . . ?
O9 Mo3 O6 92.52(13) . . ?
O11 Mo3 O6 81.27(11) . . ?
O5 Mo3 O6 72.46(11) . . ?
O12 Mo3 O6 74.11(11) 2_554 . ?
O13 Mo4 O13 105.6(2) . 2_554 ?
O13 Mo4 O11 101.93(14) . 2_554 ?
O13 Mo4 O11 104.57(15) 2_554 2_554 ?
O13 Mo4 O11 104.57(15) . . ?
O13 Mo4 O11 101.93(14) 2_554 . ?
O11 Mo4 O11 135.48(18) 2_554 . ?
O7 Mo5 O8 106.72(15) . . ?
O7 Mo5 O6 110.83(16) . . ?
O8 Mo5 O6 109.78(15) . . ?
O7 Mo5 O12 107.93(13) . . ?
O8 Mo5 O12 110.88(13) . . ?
O6 Mo5 O12 110.62(14) . . ?
Mo1 O2 Mo2 136.05(15) . . ?
Mo2 O5 Mo3 121.53(14) . . ?
Mo5 O6 Mo2 140.78(16) . . ?
Mo5 O6 Mo3 129.10(15) . . ?
Mo2 O6 Mo3 88.80(10) . . ?
Mo5 O8 Mo2 128.56(14) . 2_554 ?
Mo4 O11 Mo3 123.61(13) . . ?
Mo5 O12 Mo3 128.42(15) . 2_554 ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.297
_refine_diff_density_min         -1.191
_refine_diff_density_rms         0.107
_database_code_depnum_ccdc_archive 'CCDC 956836'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_280K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0121(6)
_cell_length_b                   16.5301(6)
_cell_length_c                   25.6641(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.386(5)
_cell_angle_gamma                90.00
_cell_volume                     8436.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    280.00(10)
_cell_measurement_reflns_used    17083
_cell_measurement_theta_min      3.3140
_cell_measurement_theta_max      28.9940

_exptl_crystal_description       block-like
_exptl_crystal_colour            kermesinus
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.75338
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      280.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19597
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7230
_reflns_number_gt                6321
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0316P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000035(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         7230
_refine_ls_number_parameters     621
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0309
_refine_ls_wR_factor_ref         0.0782
_refine_ls_wR_factor_gt          0.0732
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_restrained_S_all      1.111
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.226084(16) 0.70883(2) -0.631747(15) 0.03475(11) Uani 1 1 d . . .
Ag2 Ag 0.294821(17) 1.00096(2) -0.132307(15) 0.03984(12) Uani 1 1 d . . .
C16 C -0.07686(19) 1.4005(3) -0.10736(19) 0.0266(10) Uani 1 1 d . . .
H16A H -0.0962 1.4056 -0.1473 0.032 Uiso 1 1 calc R . .
C19 C 0.1280(2) 1.0618(3) -0.58873(19) 0.0288(10) Uani 1 1 d . . .
H19A H 0.0856 1.0398 -0.6100 0.035 Uiso 1 1 calc R . .
C21 C 0.15399(18) 1.2193(2) 0.00136(18) 0.0206(9) Uani 1 1 d . . .
C22 C 0.12825(18) 1.0072(2) -0.49744(18) 0.0205(9) Uani 1 1 d . . .
C25 C -0.0968(2) 0.8167(3) -0.61092(19) 0.0282(10) Uani 1 1 d . . .
H25A H -0.1149 0.8106 -0.6508 0.034 Uiso 1 1 calc R . .
C27 C -0.0184(2) 1.3872(3) 0.00948(19) 0.0303(10) Uani 1 1 d . . .
H27A H 0.0007 1.3842 0.0495 0.036 Uiso 1 1 calc R . .
C29 C 0.07521(19) 1.3008(2) 0.00726(18) 0.0222(9) Uani 1 1 d . . .
C31 C 0.15995(19) 1.0526(2) -0.52958(18) 0.0226(9) Uani 1 1 d . . .
C32 C 0.24355(19) 1.1335(3) -0.00322(18) 0.0261(9) Uani 1 1 d . . .
H32A H 0.2642 1.1332 0.0369 0.031 Uiso 1 1 calc R . .
C33 C 0.2233(2) 1.0863(3) -0.50016(19) 0.0287(10) Uani 1 1 d . . .
H33A H 0.2461 1.0817 -0.4603 0.034 Uiso 1 1 calc R . .
C35 C 0.15821(19) 0.9867(3) -0.34837(18) 0.0242(9) Uani 1 1 d . . .
C36 C -0.0391(2) 0.8616(3) -0.58412(18) 0.0260(9) Uani 1 1 d . . .
H36A H -0.0190 0.8851 -0.6058 0.031 Uiso 1 1 calc R . .
C37 C 0.12806(18) 0.9763(2) -0.41174(17) 0.0216(9) Uani 1 1 d . . .
C38 C 0.2719(2) 1.0926(3) -0.03433(19) 0.0282(10) Uani 1 1 d . . .
H38A H 0.3121 1.0651 -0.0141 0.034 Uiso 1 1 calc R . .
C39 C 0.2520(2) 1.1264(3) -0.5305(2) 0.0347(11) Uani 1 1 d . . .
H39A H 0.2945 1.1487 -0.5102 0.042 Uiso 1 1 calc R . .
C40 C 0.05010(19) 0.9227(2) -0.49413(18) 0.0211(9) Uani 1 1 d . . .
C41 C 0.2796(2) 1.1983(3) 0.2406(2) 0.0390(12) Uani 1 1 d . . .
H41A H 0.3216 1.1743 0.2597 0.047 Uiso 1 1 calc R . .
C42 C 0.18403(19) 1.1749(2) -0.03273(17) 0.0211(9) Uani 1 1 d . . .
C43 C 0.1904(2) 1.2426(3) 0.15193(18) 0.0281(10) Uani 1 1 d . . .
C44 C -0.01794(19) 1.3582(2) -0.08116(18) 0.0243(9) Uani 1 1 d . . .
H44A H 0.0015 1.3349 -0.1033 0.029 Uiso 1 1 calc R . .
C45 C 0.15897(19) 1.2525(2) 0.08851(18) 0.0231(9) Uani 1 1 d . . .
C46 C 0.1607(2) 1.1048(3) -0.61567(19) 0.0319(11) Uani 1 1 d . . .
H46A H 0.1383 1.1127 -0.6553 0.038 Uiso 1 1 calc R . .
C47 C 0.1867(2) 1.2573(3) 0.2428(2) 0.0383(12) Uani 1 1 d . . .
H47A H 0.1637 1.2748 0.2638 0.046 Uiso 1 1 calc R . .
C48 C -0.04290(19) 0.8339(2) -0.49464(18) 0.0233(9) Uani 1 1 d . . .
H48A H -0.0253 0.8378 -0.4547 0.028 Uiso 1 1 calc R . .
C49 C 0.2529(2) 1.2072(3) 0.18124(19) 0.0343(11) Uani 1 1 d . . .
H49A H 0.2769 1.1894 0.1612 0.041 Uiso 1 1 calc R . .
C50 C 0.2121(2) 1.0379(3) -0.3216(2) 0.0345(11) Uani 1 1 d . . .
H50A H 0.2284 1.0683 -0.3434 0.041 Uiso 1 1 calc R . .
C51 C 0.01259(19) 1.3501(2) -0.02197(18) 0.0216(9) Uani 1 1 d . . .
C52 C 0.2417(2) 1.0437(3) -0.2624(2) 0.0382(12) Uani 1 1 d . . .
H52A H 0.2775 1.0793 -0.2451 0.046 Uiso 1 1 calc R . .
C53 C 0.1565(2) 1.2683(3) 0.1841(2) 0.0344(11) Uani 1 1 d . . .
H53A H 0.1143 1.2923 0.1662 0.041 Uiso 1 1 calc R . .
C54 C -0.1010(2) 0.7907(2) -0.52529(19) 0.0254(9) Uani 1 1 d . . .
H54A H -0.1224 0.7669 -0.5048 0.030 Uiso 1 1 calc R . .
C55 C -0.0779(2) 1.4284(3) -0.0203(2) 0.0318(11) Uani 1 1 d . . .
H55A H -0.0981 1.4529 0.0009 0.038 Uiso 1 1 calc R . .
C56 C 0.1337(2) 0.9450(3) -0.3145(2) 0.0348(11) Uani 1 1 d . . .
H56A H 0.0959 0.9121 -0.3311 0.042 Uiso 1 1 calc R . .
C57 C -0.01086(19) 0.8720(2) -0.52517(18) 0.0228(9) Uani 1 1 d . . .
C58 C 0.1553(2) 1.1746(3) -0.09224(19) 0.0283(10) Uani 1 1 d . . .
H58A H 0.1159 1.2031 -0.1132 0.034 Uiso 1 1 calc R . .
C59 C 0.1668(2) 0.9535(3) -0.2558(2) 0.0415(12) Uani 1 1 d . . .
H59A H 0.1504 0.9248 -0.2334 0.050 Uiso 1 1 calc R . .
C60 C 0.1864(2) 1.1310(3) -0.12001(19) 0.0327(10) Uani 1 1 d . . .
H60A H 0.1659 1.1296 -0.1601 0.039 Uiso 1 1 calc R . .
N1 N -0.12859(16) 0.7809(2) -0.58231(15) 0.0243(8) Uani 1 1 d . . .
N2 N 0.22223(16) 1.1354(2) -0.58802(16) 0.0286(8) Uani 1 1 d . . .
N3 N 0.22110(19) 1.0002(2) -0.22825(16) 0.0363(9) Uani 1 1 d . . .
N4 N 0.07457(16) 0.9608(2) -0.52723(15) 0.0236(8) Uani 1 1 d . . .
N5 N 0.15590(16) 1.0184(2) -0.44058(15) 0.0246(8) Uani 1 1 d . . .
N6 N 0.07492(16) 0.9276(2) -0.43688(15) 0.0237(8) Uani 1 1 d . . .
N7 N 0.24452(17) 1.0905(2) -0.09229(16) 0.0288(8) Uani 1 1 d . . .
N8 N 0.24695(19) 1.2232(2) 0.27181(16) 0.0368(10) Uani 1 1 d . . .
N9 N -0.10831(16) 1.4354(2) -0.07793(16) 0.0275(8) Uani 1 1 d . . .
N10 N 0.09757(16) 1.2605(2) -0.02662(15) 0.0237(8) Uani 1 1 d . . .
N11 N 0.18686(16) 1.2127(2) 0.05897(15) 0.0245(8) Uani 1 1 d . . .
N12 N 0.10392(16) 1.2990(2) 0.06458(15) 0.0275(8) Uani 1 1 d . . .
Mo1 Mo -0.5000 0.71396(4) -0.7500 0.04447(18) Uani 1 2 d S . .
Mo2 Mo -0.388005(17) 0.83898(2) -0.639608(15) 0.02439(11) Uani 1 1 d . . .
Mo3 Mo -0.382905(17) 1.04087(2) -0.643557(16) 0.02496(11) Uani 1 1 d . . .
Mo4 Mo -0.5000 1.15172(4) -0.7500 0.03510(15) Uani 1 2 d S . .
Mo5 Mo -0.449209(17) 0.94361(2) -0.791227(16) 0.02266(11) Uani 1 1 d . . .
O1 O -0.5176(2) 0.6523(3) -0.7052(3) 0.119(2) Uani 1 1 d . . .
O2 O -0.42149(15) 0.76527(19) -0.70668(14) 0.0380(8) Uani 1 1 d . . .
O3 O -0.39009(17) 0.7767(2) -0.58779(15) 0.0486(9) Uani 1 1 d . . .
O4 O -0.30670(15) 0.8335(2) -0.63042(15) 0.0437(9) Uani 1 1 d . . .
O5 O -0.39030(14) 0.94029(19) -0.60713(13) 0.0352(8) Uani 1 1 d . . .
O6 O -0.41101(18) 0.93566(19) -0.71455(14) 0.0438(8) Uani 1 1 d . . .
O7 O -0.49707(15) 0.8555(2) -0.82179(16) 0.0461(9) Uani 1 1 d . . .
O8 O -0.39043(16) 0.9497(2) -0.81725(16) 0.0456(9) Uani 1 1 d . . .
O9 O -0.30004(16) 1.0376(2) -0.62938(16) 0.0470(9) Uani 1 1 d . . .
O10 O -0.38546(15) 1.1059(2) -0.59404(15) 0.0470(9) Uani 1 1 d . . .
O11 O -0.41240(14) 1.10795(19) -0.71207(14) 0.0378(8) Uani 1 1 d . . .
O12 O -0.50101(14) 1.03231(19) -0.81420(14) 0.0365(8) Uani 1 1 d . . .
O13 O -0.50787(19) 1.2138(2) -0.70064(16) 0.0566(10) Uani 1 1 d . . .
O14 O -0.5794(6) 1.3636(7) -0.7322(4) 0.117(4) Uani 0.50 1 d P . .
H14A H -0.5509 1.4002 -0.7292 0.175 Uiso 0.50 1 d PR . .
H14B H -0.5588 1.3186 -0.7229 0.175 Uiso 0.50 1 d PR . .
O15 O -0.4861(14) 1.4828(15) -0.7216(10) 0.132(9) Uiso 0.25 1 d P . .
H15A H -0.4985 1.5298 -0.7167 0.198 Uiso 0.25 1 d PR . .
H15B H -0.5166 1.4492 -0.7244 0.198 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.263(3) 3_445 ?
Ag1 N8 2.297(4) 3_444 ?
Ag1 N1 2.302(3) . ?
Ag2 N9 2.262(3) 3_545 ?
Ag2 N3 2.296(4) . ?
Ag2 N7 2.334(3) . ?
C16 N9 1.353(5) . ?
C16 C44 1.370(6) . ?
C19 C31 1.381(6) . ?
C19 C46 1.388(6) . ?
C21 N10 1.325(5) . ?
C21 N11 1.343(5) . ?
C21 C42 1.496(5) . ?
C22 N5 1.331(5) . ?
C22 N4 1.340(5) . ?
C22 C31 1.491(5) . ?
C25 N1 1.348(5) . ?
C25 C36 1.376(6) . ?
C27 C55 1.379(6) . ?
C27 C51 1.402(5) . ?
C29 N12 1.329(5) . ?
C29 N10 1.345(5) . ?
C29 C51 1.497(5) . ?
C31 C33 1.388(6) . ?
C32 C42 1.381(5) . ?
C32 C38 1.383(5) . ?
C33 C39 1.365(6) . ?
C35 C50 1.378(6) . ?
C35 C56 1.387(6) . ?
C35 C37 1.480(6) . ?
C36 C57 1.378(6) . ?
C37 N6 1.336(5) . ?
C37 N5 1.340(5) . ?
C38 N7 1.345(5) . ?
C39 N2 1.342(6) . ?
C40 N6 1.332(5) . ?
C40 N4 1.342(5) . ?
C40 C57 1.490(6) . ?
C41 N8 1.348(5) . ?
C41 C49 1.386(6) . ?
C42 C58 1.380(6) . ?
C43 C49 1.383(6) . ?
C43 C53 1.395(6) . ?
C43 C45 1.480(6) . ?
C44 C51 1.379(6) . ?
C45 N11 1.336(5) . ?
C45 N12 1.341(5) . ?
C46 N2 1.330(5) . ?
C47 N8 1.335(6) . ?
C47 C53 1.373(7) . ?
C48 C54 1.379(6) . ?
C48 C57 1.408(5) . ?
C50 C52 1.376(6) . ?
C52 N3 1.354(6) . ?
C54 N1 1.332(5) . ?
C55 N9 1.343(6) . ?
C56 C59 1.370(7) . ?
C58 C60 1.383(6) . ?
C59 N3 1.341(6) . ?
C60 N7 1.347(5) . ?
N2 Ag1 2.263(3) 3 ?
N8 Ag1 2.297(4) 3_556 ?
N9 Ag2 2.262(3) 3_455 ?
Mo1 O1 1.702(5) . ?
Mo1 O1 1.702(5) 2_453 ?
Mo1 O2 1.815(3) . ?
Mo1 O2 1.815(3) 2_453 ?
Mo2 O3 1.698(3) . ?
Mo2 O4 1.704(3) . ?
Mo2 O5 1.881(3) . ?
Mo2 O2 1.976(3) . ?
Mo2 O7 2.304(3) 2_453 ?
Mo2 O6 2.382(3) . ?
Mo3 O10 1.684(3) . ?
Mo3 O9 1.701(3) . ?
Mo3 O11 1.940(3) . ?
Mo3 O5 1.948(3) . ?
Mo3 O12 2.313(3) 2_453 ?
Mo3 O6 2.400(3) . ?
Mo4 O13 1.696(4) . ?
Mo4 O13 1.696(4) 2_453 ?
Mo4 O11 1.892(3) 2_453 ?
Mo4 O11 1.892(3) . ?
Mo5 O8 1.694(3) . ?
Mo5 O7 1.772(3) . ?
Mo5 O6 1.783(3) . ?
Mo5 O12 1.795(3) . ?
O7 Mo2 2.304(3) 2_453 ?
O12 Mo3 2.313(3) 2_453 ?
O15 O15 1.32(4) 2_453 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.59(13) 3_445 3_444 ?
N2 Ag1 N1 123.52(13) 3_445 . ?
N8 Ag1 N1 106.83(13) 3_444 . ?
N9 Ag2 N3 134.82(13) 3_545 . ?
N9 Ag2 N7 122.14(13) 3_545 . ?
N3 Ag2 N7 103.00(13) . . ?
N9 C16 C44 123.2(4) . . ?
C31 C19 C46 118.4(4) . . ?
N10 C21 N11 125.2(4) . . ?
N10 C21 C42 118.8(4) . . ?
N11 C21 C42 116.0(3) . . ?
N5 C22 N4 125.6(3) . . ?
N5 C22 C31 115.8(3) . . ?
N4 C22 C31 118.7(4) . . ?
N1 C25 C36 123.3(4) . . ?
C55 C27 C51 118.5(4) . . ?
N12 C29 N10 124.9(4) . . ?
N12 C29 C51 117.8(3) . . ?
N10 C29 C51 117.4(4) . . ?
C19 C31 C33 118.2(4) . . ?
C19 C31 C22 121.7(4) . . ?
C33 C31 C22 120.1(4) . . ?
C42 C32 C38 118.8(4) . . ?
C39 C33 C31 119.1(4) . . ?
C50 C35 C56 118.5(4) . . ?
C50 C35 C37 120.2(4) . . ?
C56 C35 C37 121.3(4) . . ?
C25 C36 C57 120.1(4) . . ?
N6 C37 N5 124.0(4) . . ?
N6 C37 C35 119.2(3) . . ?
N5 C37 C35 116.8(4) . . ?
N7 C38 C32 123.5(4) . . ?
N2 C39 C33 123.7(4) . . ?
N6 C40 N4 125.7(4) . . ?
N6 C40 C57 118.2(3) . . ?
N4 C40 C57 116.1(4) . . ?
N8 C41 C49 122.5(4) . . ?
C32 C42 C58 118.8(4) . . ?
C32 C42 C21 118.4(4) . . ?
C58 C42 C21 122.8(4) . . ?
C49 C43 C53 117.8(4) . . ?
C49 C43 C45 122.1(4) . . ?
C53 C43 C45 120.1(4) . . ?
C16 C44 C51 120.1(4) . . ?
N11 C45 N12 124.6(4) . . ?
N11 C45 C43 117.3(4) . . ?
N12 C45 C43 118.1(4) . . ?
N2 C46 C19 123.7(4) . . ?
N8 C47 C53 124.4(4) . . ?
C54 C48 C57 118.5(4) . . ?
C43 C49 C41 119.8(4) . . ?
C35 C50 C52 119.4(4) . . ?
C44 C51 C27 117.7(4) . . ?
C44 C51 C29 120.9(3) . . ?
C27 C51 C29 121.4(4) . . ?
N3 C52 C50 123.1(4) . . ?
C47 C53 C43 118.6(4) . . ?
N1 C54 C48 124.4(4) . . ?
N9 C55 C27 124.0(4) . . ?
C59 C56 C35 118.1(4) . . ?
C36 C57 C48 117.2(4) . . ?
C36 C57 C40 122.4(3) . . ?
C48 C57 C40 120.3(4) . . ?
C60 C58 C42 118.6(4) . . ?
N3 C59 C56 125.0(4) . . ?
N7 C60 C58 123.7(4) . . ?
C54 N1 C25 116.5(4) . . ?
C54 N1 Ag1 123.2(3) . . ?
C25 N1 Ag1 120.4(3) . . ?
C46 N2 C39 116.7(3) . . ?
C46 N2 Ag1 123.5(3) . 3 ?
C39 N2 Ag1 119.5(3) . 3 ?
C59 N3 C52 115.7(4) . . ?
C59 N3 Ag2 129.0(3) . . ?
C52 N3 Ag2 114.4(3) . . ?
C40 N4 C22 113.7(3) . . ?
C22 N5 C37 115.5(3) . . ?
C37 N6 C40 115.4(3) . . ?
C38 N7 C60 116.5(3) . . ?
C38 N7 Ag2 115.5(3) . . ?
C60 N7 Ag2 127.3(3) . . ?
C47 N8 C41 116.9(4) . . ?
C47 N8 Ag1 112.4(3) . 3_556 ?
C41 N8 Ag1 130.6(3) . 3_556 ?
C55 N9 C16 116.5(4) . . ?
C55 N9 Ag2 127.9(3) . 3_455 ?
C16 N9 Ag2 115.6(3) . 3_455 ?
C21 N10 C29 115.0(4) . . ?
C45 N11 C21 115.0(3) . . ?
C29 N12 C45 115.3(3) . . ?
O1 Mo1 O1 106.4(5) . 2_453 ?
O1 Mo1 O2 107.4(2) . . ?
O1 Mo1 O2 105.11(18) 2_453 . ?
O1 Mo1 O2 105.11(18) . 2_453 ?
O1 Mo1 O2 107.4(2) 2_453 2_453 ?
O2 Mo1 O2 124.3(2) . 2_453 ?
O3 Mo2 O4 103.80(16) . . ?
O3 Mo2 O5 100.27(15) . . ?
O4 Mo2 O5 102.25(15) . . ?
O3 Mo2 O2 100.55(16) . . ?
O4 Mo2 O2 93.73(14) . . ?
O5 Mo2 O2 149.80(14) . . ?
O3 Mo2 O7 90.88(14) . 2_453 ?
O4 Mo2 O7 163.78(14) . 2_453 ?
O5 Mo2 O7 81.49(13) . 2_453 ?
O2 Mo2 O7 76.56(13) . 2_453 ?
O3 Mo2 O6 166.27(14) . . ?
O4 Mo2 O6 89.69(15) . . ?
O5 Mo2 O6 73.95(12) . . ?
O2 Mo2 O6 80.76(12) . . ?
O7 Mo2 O6 76.06(12) 2_453 . ?
O10 Mo3 O9 103.81(16) . . ?
O10 Mo3 O11 102.28(16) . . ?
O9 Mo3 O11 97.11(15) . . ?
O10 Mo3 O5 98.39(15) . . ?
O9 Mo3 O5 99.93(15) . . ?
O11 Mo3 O5 149.13(13) . . ?
O10 Mo3 O12 90.30(13) . 2_453 ?
O9 Mo3 O12 165.06(15) . 2_453 ?
O11 Mo3 O12 74.75(12) . 2_453 ?
O5 Mo3 O12 82.53(12) . 2_453 ?
O10 Mo3 O6 162.63(14) . . ?
O9 Mo3 O6 92.46(15) . . ?
O11 Mo3 O6 81.32(12) . . ?
O5 Mo3 O6 72.45(12) . . ?
O12 Mo3 O6 74.12(12) 2_453 . ?
O13 Mo4 O13 105.6(3) . 2_453 ?
O13 Mo4 O11 101.98(15) . 2_453 ?
O13 Mo4 O11 104.77(16) 2_453 2_453 ?
O13 Mo4 O11 104.77(16) . . ?
O13 Mo4 O11 101.98(15) 2_453 . ?
O11 Mo4 O11 135.03(19) 2_453 . ?
O8 Mo5 O7 106.50(16) . . ?
O8 Mo5 O6 111.16(17) . . ?
O7 Mo5 O6 109.73(16) . . ?
O8 Mo5 O12 107.87(14) . . ?
O7 Mo5 O12 110.66(15) . . ?
O6 Mo5 O12 110.81(15) . . ?
Mo1 O2 Mo2 136.34(16) . . ?
Mo2 O5 Mo3 121.58(15) . . ?
Mo5 O6 Mo2 141.00(17) . . ?
Mo5 O6 Mo3 129.10(16) . . ?
Mo2 O6 Mo3 88.67(11) . . ?
Mo5 O7 Mo2 128.52(16) . 2_453 ?
Mo4 O11 Mo3 123.79(14) . . ?
Mo5 O12 Mo3 128.50(16) . 2_453 ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.277
_refine_diff_density_min         -1.196
_refine_diff_density_rms         0.109
_database_code_depnum_ccdc_archive 'CCDC 956837'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_310K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9848(6)
_cell_length_b                   16.5617(6)
_cell_length_c                   25.6443(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.366(5)
_cell_angle_gamma                90.00
_cell_volume                     8437.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    310.00(10)
_cell_measurement_reflns_used    16419
_cell_measurement_theta_min      3.3190
_cell_measurement_theta_max      29.3900

_exptl_crystal_description       block-like
_exptl_crystal_colour            kermesinus
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.146
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.77945
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      310.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19614
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0439
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7228
_reflns_number_gt                6237
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0361P)²+5.0566P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7228
_refine_ls_number_parameters     613
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0336
_refine_ls_wR_factor_ref         0.0867
_refine_ls_wR_factor_gt          0.0803
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.273896(18) 0.20897(3) -0.131754(16) 0.03893(12) Uani 1 1 d . . .
Ag2 Ag 0.794995(19) 0.50132(3) 0.367687(17) 0.04467(13) Uani 1 1 d . . .
C6 C 0.6278(2) 0.4760(3) 0.08782(19) 0.0239(9) Uani 1 1 d . . .
C17 C 0.4227(2) 0.9004(3) 0.3926(2) 0.0302(10) Uani 1 1 d . . .
H17A H 0.4029 0.9050 0.3526 0.036 Uiso 1 1 calc R . .
C18 C 0.6538(2) 0.7197(3) 0.50129(19) 0.0239(9) Uani 1 1 d . . .
C19 C 0.6280(2) 0.5616(3) -0.0887(2) 0.0313(11) Uani 1 1 d . . .
H19A H 0.5855 0.5398 -0.1100 0.038 Uiso 1 1 calc R . .
C21 C 0.6280(2) 0.5070(3) 0.00244(19) 0.0227(9) Uani 1 1 d . . .
C24 C 0.4821(2) 0.8872(3) 0.5094(2) 0.0325(11) Uani 1 1 d . . .
H24A H 0.5014 0.8842 0.5495 0.039 Uiso 1 1 calc R . .
C25 C 0.4031(2) 0.3169(3) -0.1108(2) 0.0321(11) Uani 1 1 d . . .
H25A H 0.3846 0.3113 -0.1507 0.039 Uiso 1 1 calc R . .
C28 C 0.7434(2) 0.6335(3) 0.49629(19) 0.0283(10) Uani 1 1 d . . .
H28A H 0.7639 0.6330 0.5364 0.034 Uiso 1 1 calc R . .
C31 C 0.5753(2) 0.8007(3) 0.5072(2) 0.0255(10) Uani 1 1 d . . .
C33 C 0.6599(2) 0.5523(3) -0.02968(19) 0.0227(9) Uani 1 1 d . . .
C34 C 0.7229(2) 0.5865(3) -0.0006(2) 0.0323(11) Uani 1 1 d . . .
H34A H 0.7455 0.5821 0.0394 0.039 Uiso 1 1 calc R . .
C35 C 0.7719(2) 0.5927(3) 0.4656(2) 0.0308(11) Uani 1 1 d . . .
H35A H 0.8122 0.5654 0.4858 0.037 Uiso 1 1 calc R . .
C37 C 0.7517(2) 0.6266(3) -0.0308(2) 0.0370(12) Uani 1 1 d . . .
H37A H 0.7942 0.6490 -0.0104 0.044 Uiso 1 1 calc R . .
C38 C 0.4573(2) 0.3341(3) 0.0056(2) 0.0275(10) Uani 1 1 d . . .
H38A H 0.4750 0.3380 0.0456 0.033 Uiso 1 1 calc R . .
C39 C 0.6583(2) 0.4862(3) 0.1518(2) 0.0275(10) Uani 1 1 d . . .
C40 C 0.4609(2) 0.3610(3) -0.0844(2) 0.0297(10) Uani 1 1 d . . .
H40A H 0.4813 0.3836 -0.1061 0.036 Uiso 1 1 calc R . .
C41 C 0.6837(2) 0.6751(3) 0.46686(18) 0.0221(9) Uani 1 1 d . . .
C42 C 0.6902(2) 0.7426(3) 0.6519(2) 0.0303(11) Uani 1 1 d . . .
C43 C 0.4823(2) 0.8576(3) 0.41865(19) 0.0261(10) Uani 1 1 d . . .
H43A H 0.5016 0.8341 0.3964 0.031 Uiso 1 1 calc R . .
C44 C 0.5498(2) 0.4228(3) 0.00565(19) 0.0234(9) Uani 1 1 d . . .
C45 C 0.7793(3) 0.6987(3) 0.7403(2) 0.0432(13) Uani 1 1 d . . .
H45A H 0.8215 0.6750 0.7594 0.052 Uiso 1 1 calc R . .
C46 C 0.7527(2) 0.7070(3) 0.6811(2) 0.0390(12) Uani 1 1 d . . .
H46A H 0.7767 0.6889 0.6610 0.047 Uiso 1 1 calc R . .
C47 C 0.6610(2) 0.6042(3) -0.1156(2) 0.0355(11) Uani 1 1 d . . .
H47A H 0.6388 0.6112 -0.1554 0.043 Uiso 1 1 calc R . .
C48 C 0.6565(3) 0.7680(3) 0.6841(2) 0.0381(12) Uani 1 1 d . . .
H48A H 0.6142 0.7918 0.6662 0.046 Uiso 1 1 calc R . .
C49 C 0.7122(2) 0.5380(3) 0.1783(2) 0.0376(12) Uani 1 1 d . . .
H49A H 0.7284 0.5686 0.1566 0.045 Uiso 1 1 calc R . .
C50 C 0.6869(3) 0.7573(3) 0.7429(2) 0.0428(13) Uani 1 1 d . . .
H50A H 0.6640 0.7750 0.7640 0.051 Uiso 1 1 calc R . .
C51 C 0.3989(2) 0.2906(3) -0.0253(2) 0.0275(10) Uani 1 1 d . . .
H51A H 0.3776 0.2664 -0.0049 0.033 Uiso 1 1 calc R . .
C52 C 0.6583(2) 0.7522(3) 0.5879(2) 0.0272(10) Uani 1 1 d . . .
C53 C 0.7414(3) 0.5434(3) 0.2377(2) 0.0420(13) Uani 1 1 d . . .
H53A H 0.7773 0.5788 0.2553 0.050 Uiso 1 1 calc R . .
C54 C 0.5127(2) 0.8502(3) 0.47797(19) 0.0249(10) Uani 1 1 d . . .
C55 C 0.6556(2) 0.6746(3) 0.4075(2) 0.0319(11) Uani 1 1 d . . .
H55A H 0.6163 0.7033 0.3864 0.038 Uiso 1 1 calc R . .
C56 C 0.4891(2) 0.3720(3) -0.02489(19) 0.0241(10) Uani 1 1 d . . .
C57 C 0.6335(3) 0.4450(3) 0.1853(2) 0.0375(12) Uani 1 1 d . . .
H57A H 0.5953 0.4127 0.1687 0.045 Uiso 1 1 calc R . .
C58 C 0.4223(2) 0.9286(3) 0.4797(2) 0.0341(11) Uani 1 1 d . . .
H58A H 0.4021 0.9530 0.5010 0.041 Uiso 1 1 calc R . .
C59 C 0.6675(3) 0.4535(4) 0.2445(2) 0.0485(14) Uani 1 1 d . . .
H59A H 0.6518 0.4243 0.2671 0.058 Uiso 1 1 calc R . .
C60 C 0.6864(2) 0.6312(3) 0.3799(2) 0.0376(12) Uani 1 1 d . . .
H60A H 0.6660 0.6299 0.3398 0.045 Uiso 1 1 calc R . .
N1 N 0.37154(17) 0.2813(2) -0.08233(17) 0.0280(9) Uani 1 1 d . . .
N2 N 0.72209(18) 0.6356(2) -0.08816(17) 0.0314(9) Uani 1 1 d . . .
N3 N 0.7209(2) 0.5003(3) 0.27143(18) 0.0405(11) Uani 1 1 d . . .
N4 N 0.57474(17) 0.4610(2) -0.02712(16) 0.0258(8) Uani 1 1 d . . .
N5 N 0.65628(17) 0.5182(2) 0.05968(16) 0.0268(8) Uani 1 1 d . . .
N6 N 0.57504(18) 0.4275(2) 0.06315(16) 0.0266(8) Uani 1 1 d . . .
N7 N 0.74411(18) 0.5905(2) 0.40749(17) 0.0315(9) Uani 1 1 d . . .
N8 N 0.7468(2) 0.7234(3) 0.77159(18) 0.0396(10) Uani 1 1 d . . .
N9 N 0.39200(18) 0.9355(2) 0.42218(17) 0.0301(9) Uani 1 1 d . . .
N10 N 0.59761(17) 0.7604(2) 0.47329(16) 0.0249(8) Uani 1 1 d . . .
N11 N 0.68682(18) 0.7124(2) 0.55894(16) 0.0273(8) Uani 1 1 d . . .
N12 N 0.60415(18) 0.7989(2) 0.56459(16) 0.0306(9) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.21450(4) -0.2500 0.04796(19) Uani 1 2 d S . .
Mo2 Mo 0.111959(19) 0.33930(2) -0.139579(17) 0.02719(11) Uani 1 1 d . . .
Mo3 Mo 0.116913(19) 0.54071(2) -0.143492(18) 0.02817(11) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.65180(4) -0.2500 0.03941(17) Uani 1 2 d S . .
Mo5 Mo 0.050971(18) 0.44357(2) -0.291149(17) 0.02551(11) Uani 1 1 d . . .
O1 O -0.0179(3) 0.1532(4) -0.2052(3) 0.135(3) Uani 1 1 d . . .
O2 O 0.07850(17) 0.2656(2) -0.20652(16) 0.0431(9) Uani 1 1 d . . .
O3 O 0.11010(19) 0.2772(2) -0.08750(17) 0.0538(10) Uani 1 1 d . . .
O4 O 0.19331(17) 0.3333(2) -0.13050(16) 0.0484(10) Uani 1 1 d . . .
O5 O 0.10996(16) 0.4402(2) -0.10699(15) 0.0386(8) Uani 1 1 d . . .
O6 O 0.0890(2) 0.4361(2) -0.21441(15) 0.0472(9) Uani 1 1 d . . .
O7 O 0.10981(18) 0.4495(2) -0.31721(18) 0.0503(10) Uani 1 1 d . . .
O8 O 0.00321(17) 0.3556(2) -0.32212(17) 0.0504(10) Uani 1 1 d . . .
O9 O 0.19994(18) 0.5376(2) -0.12923(18) 0.0537(10) Uani 1 1 d . . .
O10 O 0.11474(17) 0.6054(2) -0.09374(17) 0.0539(10) Uani 1 1 d . . .
O11 O 0.08746(16) 0.6076(2) -0.21197(16) 0.0435(9) Uani 1 1 d . . .
O12 O -0.00102(16) 0.5320(2) -0.31469(16) 0.0432(9) Uani 1 1 d . . .
O13 O -0.0081(2) 0.7135(3) -0.20078(19) 0.0652(12) Uani 1 1 d . . .
O14 O -0.0788(6) 0.8639(8) -0.2324(6) 0.121(4) Uiso 0.50 1 d P . .
H14A H -0.0572 0.8197 -0.2227 0.181 Uiso 0.50 1 d PR . .
H14B H -0.0509 0.9017 -0.2283 0.181 Uiso 0.50 1 d PR . .
O15 O 0.0123(16) 0.9842(18) -0.2206(11) 0.144(11) Uiso 0.25 1 d P . .
H15A H 0.0000 1.0314 -0.2161 0.216 Uiso 0.25 1 d PR . .
H15B H -0.0187 0.9511 -0.2241 0.216 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.262(3) 3_445 ?
Ag1 N8 2.300(4) 3_444 ?
Ag1 N1 2.307(4) . ?
Ag2 N9 2.266(4) 3_545 ?
Ag2 N3 2.302(4) . ?
Ag2 N7 2.335(4) . ?
C6 N6 1.326(5) . ?
C6 N5 1.337(5) . ?
C6 C39 1.491(6) . ?
C17 N9 1.345(6) . ?
C17 C43 1.382(6) . ?
C18 N10 1.318(5) . ?
C18 N11 1.344(6) . ?
C18 C41 1.500(6) . ?
C19 C33 1.377(6) . ?
C19 C47 1.389(6) . ?
C21 N4 1.329(5) . ?
C21 N5 1.339(6) . ?
C21 C33 1.492(6) . ?
C24 C58 1.385(6) . ?
C24 C54 1.394(6) . ?
C25 N1 1.340(6) . ?
C25 C40 1.368(6) . ?
C28 C35 1.377(6) . ?
C28 C41 1.385(6) . ?
C31 N12 1.330(6) . ?
C31 N10 1.345(5) . ?
C31 C54 1.498(6) . ?
C33 C34 1.381(6) . ?
C34 C37 1.366(6) . ?
C35 N7 1.346(6) . ?
C37 N2 1.338(6) . ?
C38 C51 1.387(6) . ?
C38 C56 1.401(6) . ?
C39 C49 1.383(7) . ?
C39 C57 1.381(6) . ?
C40 C56 1.392(6) . ?
C41 C55 1.376(6) . ?
C42 C48 1.389(6) . ?
C42 C46 1.385(6) . ?
C42 C52 1.491(6) . ?
C43 C54 1.380(6) . ?
C44 N6 1.337(6) . ?
C44 N4 1.343(5) . ?
C44 C56 1.485(6) . ?
C45 N8 1.347(6) . ?
C45 C46 1.380(7) . ?
C47 N2 1.326(6) . ?
C48 C50 1.376(7) . ?
C49 C53 1.379(7) . ?
C50 N8 1.326(6) . ?
C51 N1 1.331(6) . ?
C52 N12 1.328(6) . ?
C52 N11 1.333(5) . ?
C53 N3 1.340(6) . ?
C55 C60 1.374(6) . ?
C57 C59 1.382(7) . ?
C58 N9 1.339(6) . ?
C59 N3 1.326(7) . ?
C60 N7 1.341(6) . ?
N2 Ag1 2.262(3) 3 ?
N8 Ag1 2.300(4) 3_556 ?
N9 Ag2 2.266(4) 3_455 ?
Mo1 O1 1.700(5) . ?
Mo1 O1 1.700(5) 2_554 ?
Mo1 O2 1.814(4) . ?
Mo1 O2 1.814(4) 2_554 ?
Mo2 O3 1.700(4) . ?
Mo2 O4 1.705(3) . ?
Mo2 O5 1.878(3) . ?
Mo2 O2 1.974(4) . ?
Mo2 O8 2.306(3) 2_554 ?
Mo2 O6 2.382(3) . ?
Mo3 O10 1.682(4) . ?
Mo3 O9 1.702(3) . ?
Mo3 O11 1.938(4) . ?
Mo3 O5 1.947(3) . ?
Mo3 O12 2.307(3) 2_554 ?
Mo3 O6 2.394(4) . ?
Mo4 O13 1.692(4) 2_554 ?
Mo4 O13 1.692(4) . ?
Mo4 O11 1.891(3) 2_554 ?
Mo4 O11 1.891(3) . ?
Mo5 O7 1.694(3) . ?
Mo5 O8 1.772(4) . ?
Mo5 O6 1.782(4) . ?
Mo5 O12 1.795(4) . ?
O8 Mo2 2.306(3) 2_554 ?
O12 Mo3 2.307(3) 2_554 ?
O15 O15 1.37(5) 2_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.47(15) 3_445 3_444 ?
N2 Ag1 N1 123.70(14) 3_445 . ?
N8 Ag1 N1 106.77(14) 3_444 . ?
N9 Ag2 N3 134.76(14) 3_545 . ?
N9 Ag2 N7 122.35(14) 3_545 . ?
N3 Ag2 N7 102.83(14) . . ?
N6 C6 N5 125.0(4) . . ?
N6 C6 C39 118.9(4) . . ?
N5 C6 C39 116.1(4) . . ?
N9 C17 C43 123.3(4) . . ?
N10 C18 N11 125.6(4) . . ?
N10 C18 C41 118.4(4) . . ?
N11 C18 C41 115.9(4) . . ?
C33 C19 C47 118.3(4) . . ?
N4 C21 N5 125.8(4) . . ?
N4 C21 C33 118.7(4) . . ?
N5 C21 C33 115.4(4) . . ?
C58 C24 C54 118.6(4) . . ?
N1 C25 C40 123.6(4) . . ?
C35 C28 C41 119.3(4) . . ?
N12 C31 N10 124.8(4) . . ?
N12 C31 C54 117.8(4) . . ?
N10 C31 C54 117.4(4) . . ?
C19 C33 C34 118.0(4) . . ?
C19 C33 C21 121.6(4) . . ?
C34 C33 C21 120.4(4) . . ?
C37 C34 C33 119.6(4) . . ?
N7 C35 C28 123.0(4) . . ?
N2 C37 C34 123.5(4) . . ?
C51 C38 C56 118.3(4) . . ?
C49 C39 C57 118.9(4) . . ?
C49 C39 C6 119.9(4) . . ?
C57 C39 C6 121.1(4) . . ?
C25 C40 C56 119.7(4) . . ?
C55 C41 C28 118.2(4) . . ?
C55 C41 C18 123.4(4) . . ?
C28 C41 C18 118.4(4) . . ?
C48 C42 C46 117.7(4) . . ?
C48 C42 C52 120.2(4) . . ?
C46 C42 C52 122.1(4) . . ?
C54 C43 C17 119.3(4) . . ?
N6 C44 N4 125.1(4) . . ?
N6 C44 C56 118.0(4) . . ?
N4 C44 C56 116.9(4) . . ?
N8 C45 C46 122.8(5) . . ?
C45 C46 C42 119.5(4) . . ?
N2 C47 C19 124.1(4) . . ?
C50 C48 C42 118.7(5) . . ?
C39 C49 C53 118.7(4) . . ?
N8 C50 C48 124.3(5) . . ?
N1 C51 C38 124.1(4) . . ?
N12 C52 N11 125.6(4) . . ?
N12 C52 C42 117.7(4) . . ?
N11 C52 C42 116.7(4) . . ?
N3 C53 C49 123.5(5) . . ?
C43 C54 C24 118.2(4) . . ?
C43 C54 C31 120.5(4) . . ?
C24 C54 C31 121.2(4) . . ?
C60 C55 C41 119.1(4) . . ?
C40 C56 C38 117.4(4) . . ?
C40 C56 C44 121.9(4) . . ?
C38 C56 C44 120.6(4) . . ?
C59 C57 C39 117.5(5) . . ?
N9 C58 C24 123.8(4) . . ?
N3 C59 C57 125.0(5) . . ?
N7 C60 C55 123.8(4) . . ?
C51 N1 C25 116.9(4) . . ?
C51 N1 Ag1 122.7(3) . . ?
C25 N1 Ag1 120.4(3) . . ?
C47 N2 C37 116.4(4) . . ?
C47 N2 Ag1 123.9(3) . 3 ?
C37 N2 Ag1 119.5(3) . 3 ?
C59 N3 C53 116.2(4) . . ?
C59 N3 Ag2 128.7(3) . . ?
C53 N3 Ag2 114.1(3) . . ?
C21 N4 C44 114.2(4) . . ?
C21 N5 C6 114.5(4) . . ?
C6 N6 C44 115.3(4) . . ?
C60 N7 C35 116.6(4) . . ?
C60 N7 Ag2 127.6(3) . . ?
C35 N7 Ag2 115.2(3) . . ?
C50 N8 C45 116.9(4) . . ?
C50 N8 Ag1 112.3(3) . 3_556 ?
C45 N8 Ag1 130.7(3) . 3_556 ?
C58 N9 C17 116.8(4) . . ?
C58 N9 Ag2 127.9(3) . 3_455 ?
C17 N9 Ag2 115.3(3) . 3_455 ?
C18 N10 C31 114.8(4) . . ?
C52 N11 C18 114.0(4) . . ?
C52 N12 C31 114.9(4) . . ?
O1 Mo1 O1 106.7(6) . 2_554 ?
O1 Mo1 O2 107.4(2) . . ?
O1 Mo1 O2 105.0(2) 2_554 . ?
O1 Mo1 O2 105.0(2) . 2_554 ?
O1 Mo1 O2 107.4(2) 2_554 2_554 ?
O2 Mo1 O2 124.4(2) . 2_554 ?
O3 Mo2 O4 103.55(18) . . ?
O3 Mo2 O5 100.13(17) . . ?
O4 Mo2 O5 102.38(16) . . ?
O3 Mo2 O2 100.58(18) . . ?
O4 Mo2 O2 93.49(16) . . ?
O5 Mo2 O2 150.06(15) . . ?
O3 Mo2 O8 90.81(16) . 2_554 ?
O4 Mo2 O8 164.00(16) . 2_554 ?
O5 Mo2 O8 81.62(14) . 2_554 ?
O2 Mo2 O8 76.71(14) . 2_554 ?
O3 Mo2 O6 166.34(16) . . ?
O4 Mo2 O6 89.84(16) . . ?
O5 Mo2 O6 73.89(13) . . ?
O2 Mo2 O6 81.03(14) . . ?
O8 Mo2 O6 76.28(13) 2_554 . ?
O10 Mo3 O9 103.46(18) . . ?
O10 Mo3 O11 102.48(18) . . ?
O9 Mo3 O11 97.08(17) . . ?
O10 Mo3 O5 98.39(18) . . ?
O9 Mo3 O5 99.71(17) . . ?
O11 Mo3 O5 149.28(15) . . ?
O10 Mo3 O12 90.46(15) . 2_554 ?
O9 Mo3 O12 165.31(17) . 2_554 ?
O11 Mo3 O12 74.99(13) . 2_554 ?
O5 Mo3 O12 82.60(13) . 2_554 ?
O10 Mo3 O6 162.90(16) . . ?
O9 Mo3 O6 92.50(17) . . ?
O11 Mo3 O6 81.28(14) . . ?
O5 Mo3 O6 72.49(13) . . ?
O12 Mo3 O6 74.26(13) 2_554 . ?
O13 Mo4 O13 105.6(3) 2_554 . ?
O13 Mo4 O11 104.92(19) 2_554 2_554 ?
O13 Mo4 O11 102.12(18) . 2_554 ?
O13 Mo4 O11 102.11(18) 2_554 . ?
O13 Mo4 O11 104.92(19) . . ?
O11 Mo4 O11 134.5(2) 2_554 . ?
O7 Mo5 O8 106.09(18) . . ?
O7 Mo5 O6 111.31(19) . . ?
O8 Mo5 O6 110.19(18) . . ?
O7 Mo5 O12 107.67(16) . . ?
O8 Mo5 O12 110.47(17) . . ?
O6 Mo5 O12 110.98(17) . . ?
Mo1 O2 Mo2 136.47(18) . . ?
Mo2 O5 Mo3 121.68(17) . . ?
Mo5 O6 Mo2 140.67(19) . . ?
Mo5 O6 Mo3 129.38(18) . . ?
Mo2 O6 Mo3 88.74(12) . . ?
Mo5 O8 Mo2 128.25(18) . 2_554 ?
Mo4 O11 Mo3 124.03(17) . . ?
Mo5 O12 Mo3 128.67(18) . 2_554 ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.230
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.115
_database_code_depnum_ccdc_archive 'CCDC 956838'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_340K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H51 Ag4 Mo8 N24 O27.50'
_chemical_formula_weight         2891.37

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9777(6)
_cell_length_b                   16.6111(6)
_cell_length_c                   25.6344(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.351(5)
_cell_angle_gamma                90.00
_cell_volume                     8457.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    340.01(10)
_cell_measurement_reflns_used    15647
_cell_measurement_theta_min      3.1940
_cell_measurement_theta_max      29.5180

_exptl_crystal_description       block-like
_exptl_crystal_colour            kermesinus
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5580
_exptl_absorpt_coefficient_mu    2.141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.75936
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      340.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19666
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7249
_reflns_number_gt                6188
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0434P)²+13.5429P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7249
_refine_ls_number_parameters     623
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0353
_refine_ls_wR_factor_ref         0.0948
_refine_ls_wR_factor_gt          0.0879
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.048
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.22614(2) 0.20904(3) -0.631791(18) 0.04301(13) Uani 1 1 d . . .
Ag2 Ag 0.29517(2) 0.50170(3) -0.132346(18) 0.04947(14) Uani 1 1 d . . .
C12 C 0.1534(2) 0.7199(3) 0.0011(2) 0.0246(10) Uani 1 1 d . . .
C15 C -0.0770(2) 0.9002(3) -0.1075(2) 0.0307(11) Uani 1 1 d . . .
H15A H -0.0967 0.9050 -0.1475 0.037 Uiso 1 1 calc R . .
C19 C 0.1281(2) 0.5071(3) -0.4976(2) 0.0252(10) Uani 1 1 d . . .
C21 C 0.1279(2) 0.5617(3) -0.5889(2) 0.0358(12) Uani 1 1 d . . .
H21A H 0.0854 0.5397 -0.6101 0.043 Uiso 1 1 calc R . .
C24 C -0.0969(2) 0.3169(3) -0.6109(2) 0.0355(12) Uani 1 1 d . . .
H24A H -0.1153 0.3111 -0.6509 0.043 Uiso 1 1 calc R . .
C26 C 0.0753(2) 0.8014(3) 0.0070(2) 0.0259(10) Uani 1 1 d . . .
C28 C -0.0177(2) 0.8875(3) 0.0095(2) 0.0362(12) Uani 1 1 d . . .
H28A H 0.0016 0.8848 0.0495 0.043 Uiso 1 1 calc R . .
C29 C 0.1598(2) 0.5527(3) -0.5298(2) 0.0276(10) Uani 1 1 d . . .
C31 C 0.2431(2) 0.6337(3) -0.0037(2) 0.0311(11) Uani 1 1 d . . .
H31A H 0.2637 0.6332 0.0365 0.037 Uiso 1 1 calc R . .
C32 C 0.2229(2) 0.5861(3) -0.5007(2) 0.0348(12) Uani 1 1 d . . .
H32A H 0.2457 0.5813 -0.4608 0.042 Uiso 1 1 calc R . .
C33 C 0.1581(2) 0.4857(3) -0.3486(2) 0.0304(11) Uani 1 1 d . . .
C36 C 0.1276(2) 0.4760(3) -0.4122(2) 0.0271(10) Uani 1 1 d . . .
C37 C 0.2716(2) 0.5928(3) -0.0347(2) 0.0327(11) Uani 1 1 d . . .
H37A H 0.3118 0.5654 -0.0144 0.039 Uiso 1 1 calc R . .
C38 C -0.0391(2) 0.3613(3) -0.5845(2) 0.0325(11) Uani 1 1 d . . .
H38A H -0.0188 0.3839 -0.6062 0.039 Uiso 1 1 calc R . .
C39 C 0.1838(2) 0.6755(3) -0.03319(19) 0.0246(10) Uani 1 1 d . . .
C40 C 0.1904(2) 0.7426(3) 0.1520(2) 0.0329(11) Uani 1 1 d . . .
C41 C -0.0428(2) 0.3341(3) -0.4946(2) 0.0303(11) Uani 1 1 d . . .
H41A H -0.0250 0.3375 -0.4546 0.036 Uiso 1 1 calc R . .
C42 C 0.2527(3) 0.7074(4) 0.1810(2) 0.0429(14) Uani 1 1 d . . .
H42A H 0.2767 0.6897 0.1608 0.051 Uiso 1 1 calc R . .
C43 C 0.2514(3) 0.6266(4) -0.5312(2) 0.0423(13) Uani 1 1 d . . .
H43A H 0.2937 0.6493 -0.5109 0.051 Uiso 1 1 calc R . .
C44 C 0.0501(2) 0.4229(3) -0.4946(2) 0.0267(10) Uani 1 1 d . . .
C45 C -0.0176(2) 0.8577(3) -0.0814(2) 0.0297(11) Uani 1 1 d . . .
H45A H 0.0019 0.8344 -0.1036 0.036 Uiso 1 1 calc R . .
C46 C 0.1584(2) 0.7522(3) 0.0880(2) 0.0296(11) Uani 1 1 d . . .
C47 C 0.2795(3) 0.6985(4) 0.2404(2) 0.0463(14) Uani 1 1 d . . .
H47A H 0.3215 0.6744 0.2595 0.056 Uiso 1 1 calc R . .
C48 C 0.1867(3) 0.7575(4) 0.2428(2) 0.0462(14) Uani 1 1 d . . .
H48A H 0.1638 0.7754 0.2638 0.055 Uiso 1 1 calc R . .
C49 C 0.1563(3) 0.7675(3) 0.1837(2) 0.0421(13) Uani 1 1 d . . .
H49A H 0.1138 0.7907 0.1655 0.050 Uiso 1 1 calc R . .
C50 C 0.1605(3) 0.6043(3) -0.6160(2) 0.0397(13) Uani 1 1 d . . .
H50A H 0.1383 0.6117 -0.6557 0.048 Uiso 1 1 calc R . .
C51 C 0.2118(3) 0.5373(3) -0.3220(2) 0.0396(13) Uani 1 1 d . . .
H51A H 0.2278 0.5677 -0.3439 0.047 Uiso 1 1 calc R . .
C52 C -0.1010(2) 0.2910(3) -0.5254(2) 0.0319(11) Uani 1 1 d . . .
H52A H -0.1224 0.2673 -0.5049 0.038 Uiso 1 1 calc R . .
C53 C 0.2413(3) 0.5434(4) -0.2628(2) 0.0475(14) Uani 1 1 d . . .
H53A H 0.2772 0.5788 -0.2455 0.057 Uiso 1 1 calc R . .
C54 C 0.0127(2) 0.8500(3) -0.0221(2) 0.0271(10) Uani 1 1 d . . .
C55 C -0.0110(2) 0.3724(3) -0.5249(2) 0.0270(10) Uani 1 1 d . . .
C56 C 0.1554(2) 0.6749(3) -0.0926(2) 0.0365(12) Uani 1 1 d . . .
H56A H 0.1161 0.7035 -0.1138 0.044 Uiso 1 1 calc R . .
C57 C -0.0778(3) 0.9291(3) -0.0206(2) 0.0386(13) Uani 1 1 d . . .
H57A H -0.0979 0.9541 0.0005 0.046 Uiso 1 1 calc R . .
C58 C 0.1337(3) 0.4452(3) -0.3147(2) 0.0413(13) Uani 1 1 d . . .
H58A H 0.0956 0.4130 -0.3313 0.050 Uiso 1 1 calc R . .
C59 C 0.1672(3) 0.4536(4) -0.2557(2) 0.0527(16) Uani 1 1 d . . .
H59A H 0.1511 0.4246 -0.2332 0.063 Uiso 1 1 calc R . .
C60 C 0.1863(3) 0.6310(3) -0.1202(2) 0.0398(13) Uani 1 1 d . . .
H60A H 0.1657 0.6293 -0.1603 0.048 Uiso 1 1 calc R . .
N1 N -0.12838(19) 0.2813(2) -0.58232(18) 0.0309(9) Uani 1 1 d . . .
N2 N 0.2220(2) 0.6351(2) -0.58817(18) 0.0335(9) Uani 1 1 d . . .
N3 N 0.2208(2) 0.5003(3) -0.22868(19) 0.0434(11) Uani 1 1 d . . .
N4 N 0.07450(19) 0.4607(2) -0.52713(17) 0.0294(9) Uani 1 1 d . . .
N5 N 0.15623(19) 0.5175(2) -0.44071(17) 0.0301(9) Uani 1 1 d . . .
N6 N 0.07486(19) 0.4271(2) -0.43713(17) 0.0299(9) Uani 1 1 d . . .
N7 N 0.2442(2) 0.5905(3) -0.09255(18) 0.0354(10) Uani 1 1 d . . .
N8 N 0.2468(2) 0.7234(3) 0.27139(19) 0.0435(11) Uani 1 1 d . . .
N9 N -0.1078(2) 0.9350(2) -0.07791(18) 0.0339(10) Uani 1 1 d . . .
N10 N 0.09769(18) 0.7607(2) -0.02689(17) 0.0279(9) Uani 1 1 d . . .
N11 N 0.18629(19) 0.7126(2) 0.05876(17) 0.0301(9) Uani 1 1 d . . .
N12 N 0.1039(2) 0.7989(3) 0.06457(18) 0.0337(10) Uani 1 1 d . . .
Mo1 Mo -0.5000 0.21525(5) -0.7500 0.0515(2) Uani 1 2 d S . .
Mo2 Mo -0.38803(2) 0.33959(3) -0.639537(18) 0.02966(12) Uani 1 1 d . . .
Mo3 Mo -0.38326(2) 0.54054(3) -0.643367(18) 0.03090(12) Uani 1 1 d . . .
Mo4 Mo -0.5000 0.65197(5) -0.7500 0.04327(18) Uani 1 2 d S . .
Mo5 Mo -0.44883(2) 0.44352(2) -0.791075(18) 0.02803(12) Uani 1 1 d . . .
O1 O -0.5188(3) 0.1538(4) -0.7057(4) 0.144(3) Uani 1 1 d . . .
O2 O -0.42162(19) 0.2660(2) -0.70638(17) 0.0487(10) Uani 1 1 d . . .
O3 O -0.30687(19) 0.3333(3) -0.63044(18) 0.0534(10) Uani 1 1 d . . .
O4 O -0.3901(2) 0.2778(3) -0.58741(19) 0.0625(12) Uani 1 1 d . . .
O5 O -0.39013(18) 0.4403(2) -0.60722(16) 0.0440(9) Uani 1 1 d . . .
O6 O -0.4112(2) 0.4361(2) -0.71476(17) 0.0528(10) Uani 1 1 d . . .
O7 O -0.49670(19) 0.3560(2) -0.82210(19) 0.0544(11) Uani 1 1 d . . .
O8 O -0.3903(2) 0.4492(2) -0.8175(2) 0.0556(12) Uani 1 1 d . . .
O9 O -0.3002(2) 0.5377(3) -0.6292(2) 0.0605(12) Uani 1 1 d . . .
O10 O -0.38554(19) 0.6045(3) -0.59358(19) 0.0600(12) Uani 1 1 d . . .
O11 O -0.41298(18) 0.6074(2) -0.71181(17) 0.0491(10) Uani 1 1 d . . .
O12 O -0.50085(17) 0.5318(2) -0.81476(18) 0.0473(9) Uani 1 1 d . . .
O13 O -0.5086(2) 0.7128(3) -0.7010(2) 0.0712(13) Uani 1 1 d . . .
O14 O -0.5777(9) 0.8649(10) -0.7320(6) 0.156(7) Uani 0.50 1 d P . .
H14A H -0.5575 0.8199 -0.7230 0.188 Uiso 0.50 1 d PR . .
H14B H -0.5490 0.9009 -0.7294 0.188 Uiso 0.50 1 d PR . .
O15 O -0.4835(18) 0.9842(17) -0.7218(14) 0.164(17) Uani 0.25 1 d P . .
H15B H -0.4960 1.0307 -0.7165 0.197 Uiso 0.25 1 d PR . .
H15C H -0.5133 0.9502 -0.7237 0.197 Uiso 0.25 1 d PR . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.269(4) 3_445 ?
Ag1 N8 2.304(4) 3_444 ?
Ag1 N1 2.309(4) . ?
Ag2 N9 2.275(4) 3_545 ?
Ag2 N3 2.305(4) . ?
Ag2 N7 2.334(4) . ?
C12 N10 1.312(6) . ?
C12 N11 1.345(6) . ?
C12 C39 1.503(6) . ?
C15 N9 1.345(6) . ?
C15 C45 1.379(6) . ?
C19 N5 1.330(6) . ?
C19 N4 1.338(6) . ?
C19 C29 1.494(6) . ?
C21 C29 1.378(7) . ?
C21 C50 1.387(7) . ?
C24 N1 1.342(6) . ?
C24 C38 1.371(7) . ?
C26 N12 1.334(6) . ?
C26 N10 1.350(6) . ?
C26 C54 1.490(6) . ?
C28 C57 1.393(7) . ?
C28 C54 1.397(6) . ?
C29 C32 1.379(6) . ?
C31 C39 1.383(6) . ?
C31 C37 1.383(6) . ?
C32 C43 1.370(7) . ?
C33 C58 1.376(7) . ?
C33 C51 1.379(7) . ?
C33 C36 1.481(7) . ?
C36 N5 1.342(6) . ?
C36 N6 1.333(6) . ?
C37 N7 1.341(6) . ?
C38 C55 1.392(7) . ?
C39 C56 1.377(7) . ?
C40 C42 1.379(7) . ?
C40 C49 1.382(7) . ?
C40 C46 1.492(7) . ?
C41 C52 1.381(7) . ?
C41 C55 1.400(6) . ?
C42 C47 1.385(7) . ?
C43 N2 1.327(7) . ?
C44 N4 1.328(6) . ?
C44 N6 1.335(6) . ?
C44 C55 1.488(6) . ?
C45 C54 1.380(7) . ?
C46 N11 1.329(6) . ?
C46 N12 1.335(6) . ?
C47 N8 1.343(7) . ?
C48 N8 1.332(7) . ?
C48 C49 1.379(8) . ?
C50 N2 1.331(6) . ?
C51 C53 1.375(7) . ?
C52 N1 1.329(6) . ?
C53 N3 1.348(7) . ?
C56 C60 1.378(7) . ?
C57 N9 1.331(7) . ?
C58 C59 1.376(8) . ?
C59 N3 1.332(7) . ?
C60 N7 1.343(6) . ?
N2 Ag1 2.269(4) 3 ?
N8 Ag1 2.304(4) 3_556 ?
N9 Ag2 2.275(4) 3_455 ?
Mo1 O1 1.704(6) 2_453 ?
Mo1 O1 1.704(6) . ?
Mo1 O2 1.811(4) . ?
Mo1 O2 1.811(4) 2_453 ?
Mo2 O4 1.702(4) . ?
Mo2 O3 1.700(4) . ?
Mo2 O5 1.877(4) . ?
Mo2 O2 1.973(4) . ?
Mo2 O7 2.308(4) 2_453 ?
Mo2 O6 2.388(4) . ?
Mo3 O10 1.678(4) . ?
Mo3 O9 1.702(4) . ?
Mo3 O11 1.938(4) . ?
Mo3 O5 1.942(4) . ?
Mo3 O12 2.306(4) 2_453 ?
Mo3 O6 2.403(4) . ?
Mo4 O13 1.684(5) . ?
Mo4 O13 1.684(5) 2_453 ?
Mo4 O11 1.887(4) 2_453 ?
Mo4 O11 1.887(4) . ?
Mo5 O8 1.694(3) . ?
Mo5 O7 1.771(4) . ?
Mo5 O6 1.772(4) . ?
Mo5 O12 1.798(4) . ?
O7 Mo2 2.308(4) 2_453 ?
O12 Mo3 2.306(3) 2_453 ?
O15 O15 1.31(6) 2_453 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.41(16) 3_445 3_444 ?
N2 Ag1 N1 123.81(15) 3_445 . ?
N8 Ag1 N1 106.72(15) 3_444 . ?
N9 Ag2 N3 134.50(16) 3_545 . ?
N9 Ag2 N7 122.61(15) 3_545 . ?
N3 Ag2 N7 102.79(15) . . ?
N10 C12 N11 125.7(4) . . ?
N10 C12 C39 118.6(4) . . ?
N11 C12 C39 115.8(4) . . ?
N9 C15 C45 123.1(5) . . ?
N5 C19 N4 125.3(4) . . ?
N5 C19 C29 115.7(4) . . ?
N4 C19 C29 119.0(4) . . ?
C29 C21 C50 118.5(5) . . ?
N1 C24 C38 123.4(5) . . ?
N12 C26 N10 124.6(4) . . ?
N12 C26 C54 117.8(4) . . ?
N10 C26 C54 117.6(4) . . ?
C57 C28 C54 118.4(5) . . ?
C21 C29 C32 118.2(4) . . ?
C21 C29 C19 121.6(4) . . ?
C32 C29 C19 120.2(4) . . ?
C39 C31 C37 119.1(4) . . ?
C43 C32 C29 119.2(5) . . ?
C58 C33 C51 118.2(5) . . ?
C58 C33 C36 121.8(5) . . ?
C51 C33 C36 120.0(4) . . ?
N5 C36 N6 124.5(4) . . ?
N5 C36 C33 116.5(4) . . ?
N6 C36 C33 119.0(4) . . ?
N7 C37 C31 123.4(4) . . ?
C24 C38 C55 119.8(4) . . ?
C31 C39 C56 118.4(4) . . ?
C31 C39 C12 118.5(4) . . ?
C56 C39 C12 123.1(4) . . ?
C42 C40 C49 118.3(5) . . ?
C42 C40 C46 122.0(4) . . ?
C49 C40 C46 119.7(5) . . ?
C52 C41 C55 118.7(4) . . ?
C40 C42 C47 119.6(5) . . ?
N2 C43 C32 123.7(5) . . ?
N4 C44 N6 125.7(4) . . ?
N4 C44 C55 117.0(4) . . ?
N6 C44 C55 117.2(4) . . ?
C15 C45 C54 119.5(4) . . ?
N11 C46 N12 125.2(4) . . ?
N11 C46 C40 117.0(4) . . ?
N12 C46 C40 117.8(4) . . ?
N8 C47 C42 122.3(5) . . ?
N8 C48 C49 123.7(5) . . ?
C48 C49 C40 118.6(5) . . ?
N2 C50 C21 123.5(5) . . ?
C53 C51 C33 119.4(5) . . ?
N1 C52 C41 124.3(4) . . ?
N3 C53 C51 123.1(5) . . ?
C45 C54 C28 118.1(4) . . ?
C45 C54 C26 120.5(4) . . ?
C28 C54 C26 121.4(4) . . ?
C38 C55 C41 117.0(4) . . ?
C38 C55 C44 121.8(4) . . ?
C41 C55 C44 121.2(4) . . ?
C60 C56 C39 118.8(5) . . ?
N9 C57 C28 123.5(5) . . ?
C59 C58 C33 118.4(5) . . ?
N3 C59 C58 124.6(5) . . ?
N7 C60 C56 124.0(5) . . ?
C52 N1 C24 116.7(4) . . ?
C52 N1 Ag1 122.9(3) . . ?
C24 N1 Ag1 120.3(3) . . ?
C43 N2 C50 116.9(4) . . ?
C43 N2 Ag1 119.3(3) . 3 ?
C50 N2 Ag1 123.6(3) . 3 ?
C59 N3 C53 116.0(5) . . ?
C59 N3 Ag2 128.9(4) . . ?
C53 N3 Ag2 114.1(3) . . ?
C19 N4 C44 114.4(4) . . ?
C19 N5 C36 115.2(4) . . ?
C44 N6 C36 115.0(4) . . ?
C37 N7 C60 116.4(4) . . ?
C37 N7 Ag2 115.4(3) . . ?
C60 N7 Ag2 127.6(3) . . ?
C48 N8 C47 117.4(5) . . ?
C48 N8 Ag1 112.0(3) . 3_556 ?
C47 N8 Ag1 130.4(4) . 3_556 ?
C57 N9 C15 117.3(4) . . ?
C57 N9 Ag2 127.2(3) . 3_455 ?
C15 N9 Ag2 115.4(3) . 3_455 ?
C12 N10 C26 114.8(4) . . ?
C46 N11 C12 114.6(4) . . ?
C46 N12 C26 115.0(4) . . ?
O1 Mo1 O1 106.4(6) 2_453 . ?
O1 Mo1 O2 104.7(2) 2_453 . ?
O1 Mo1 O2 107.8(3) . . ?
O1 Mo1 O2 107.8(3) 2_453 2_453 ?
O1 Mo1 O2 104.7(2) . 2_453 ?
O2 Mo1 O2 124.5(3) . 2_453 ?
O4 Mo2 O3 103.6(2) . . ?
O4 Mo2 O5 100.24(19) . . ?
O3 Mo2 O5 102.51(18) . . ?
O4 Mo2 O2 100.5(2) . . ?
O3 Mo2 O2 93.54(18) . . ?
O5 Mo2 O2 149.91(17) . . ?
O4 Mo2 O7 90.69(18) . 2_453 ?
O3 Mo2 O7 164.04(17) . 2_453 ?
O5 Mo2 O7 81.54(15) . 2_453 ?
O2 Mo2 O7 76.63(16) . 2_453 ?
O4 Mo2 O6 166.14(18) . . ?
O3 Mo2 O6 90.02(18) . . ?
O5 Mo2 O6 73.79(14) . . ?
O2 Mo2 O6 81.00(15) . . ?
O7 Mo2 O6 76.17(15) 2_453 . ?
O10 Mo3 O9 103.5(2) . . ?
O10 Mo3 O11 102.6(2) . . ?
O9 Mo3 O11 97.11(19) . . ?
O10 Mo3 O5 98.4(2) . . ?
O9 Mo3 O5 99.79(19) . . ?
O11 Mo3 O5 149.08(16) . . ?
O10 Mo3 O12 90.40(16) . 2_453 ?
O9 Mo3 O12 165.27(19) . 2_453 ?
O11 Mo3 O12 74.79(15) . 2_453 ?
O5 Mo3 O12 82.66(15) . 2_453 ?
O10 Mo3 O6 162.81(18) . . ?
O9 Mo3 O6 92.52(19) . . ?
O11 Mo3 O6 81.21(15) . . ?
O5 Mo3 O6 72.40(14) . . ?
O12 Mo3 O6 74.27(15) 2_453 . ?
O13 Mo4 O13 106.3(3) . 2_453 ?
O13 Mo4 O11 102.1(2) . 2_453 ?
O13 Mo4 O11 105.1(2) 2_453 2_453 ?
O13 Mo4 O11 105.1(2) . . ?
O13 Mo4 O11 102.1(2) 2_453 . ?
O11 Mo4 O11 133.8(2) 2_453 . ?
O8 Mo5 O7 105.8(2) . . ?
O8 Mo5 O6 111.7(2) . . ?
O7 Mo5 O6 110.18(19) . . ?
O8 Mo5 O12 107.57(18) . . ?
O7 Mo5 O12 110.39(18) . . ?
O6 Mo5 O12 111.00(19) . . ?
Mo1 O2 Mo2 136.7(2) . . ?
Mo2 O5 Mo3 122.15(19) . . ?
Mo5 O6 Mo2 140.8(2) . . ?
Mo5 O6 Mo3 129.5(2) . . ?
Mo2 O6 Mo3 88.46(13) . . ?
Mo5 O7 Mo2 128.38(19) . 2_453 ?
Mo4 O11 Mo3 124.63(19) . . ?
Mo5 O12 Mo3 128.6(2) . 2_453 ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.177
_refine_diff_density_min         -1.434
_refine_diff_density_rms         0.115
_database_code_depnum_ccdc_archive 'CCDC 956839'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_370K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9944(8)
_cell_length_b                   16.6621(5)
_cell_length_c                   25.6363(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.340(5)
_cell_angle_gamma                90.00
_cell_volume                     8491.1(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    370.00(10)
_cell_measurement_reflns_used    14980
_cell_measurement_theta_min      3.1970
_cell_measurement_theta_max      28.9040

_exptl_crystal_description       block-like
_exptl_crystal_colour            crimson
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.130
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.73525
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      370.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19689
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0309
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7285
_reflns_number_gt                6205
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0646P)²+44.5942P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7285
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0405
_refine_ls_wR_factor_ref         0.1226
_refine_ls_wR_factor_gt          0.1146
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.22622(2) 0.70901(3) -0.63185(2) 0.04748(16) Uani 1 1 d . . .
Ag2 Ag 0.29535(3) 1.00221(4) -0.13243(2) 0.05432(18) Uani 1 1 d . . .
C7 C 0.1537(3) 1.2200(3) 0.0010(2) 0.0274(11) Uani 1 1 d . . .
C18 C 0.1279(3) 1.0072(3) -0.4981(2) 0.0291(12) Uani 1 1 d . . .
C19 C -0.0777(3) 1.3998(4) -0.1078(3) 0.0364(13) Uani 1 1 d . . .
H19A H -0.0979 1.4036 -0.1478 0.044 Uiso 1 1 calc R . .
C22 C 0.1278(3) 1.0617(4) -0.5891(3) 0.0399(15) Uani 1 1 d . . .
H22A H 0.0852 1.0404 -0.6104 0.048 Uiso 1 1 calc R . .
C25 C -0.0969(3) 0.8166(4) -0.6111(3) 0.0391(14) Uani 1 1 d . . .
H25A H -0.1150 0.8103 -0.6509 0.047 Uiso 1 1 calc R . .
C26 C -0.0181(3) 1.3870(4) 0.0095(3) 0.0384(14) Uani 1 1 d . . .
H26A H 0.0008 1.3834 0.0495 0.046 Uiso 1 1 calc R . .
C27 C 0.0748(3) 1.3014(3) 0.0067(2) 0.0303(12) Uani 1 1 d . . .
C29 C 0.1594(3) 1.0520(3) -0.5306(2) 0.0289(12) Uani 1 1 d . . .
C30 C 0.1585(3) 0.9859(4) -0.3488(2) 0.0330(13) Uani 1 1 d . . .
C31 C 0.2434(3) 1.1335(4) -0.0035(3) 0.0339(13) Uani 1 1 d . . .
H31A H 0.2640 1.1326 0.0366 0.041 Uiso 1 1 calc R . .
C32 C 0.2711(3) 1.0932(4) -0.0353(3) 0.0364(13) Uani 1 1 d . . .
H32A H 0.3114 1.0660 -0.0153 0.044 Uiso 1 1 calc R . .
C33 C 0.2228(3) 1.0858(4) -0.5012(3) 0.0404(15) Uani 1 1 d . . .
H33A H 0.2455 1.0813 -0.4613 0.048 Uiso 1 1 calc R . .
C34 C 0.0497(3) 0.9227(3) -0.4949(2) 0.0286(12) Uani 1 1 d . . .
C37 C 0.1839(3) 1.1754(3) -0.0334(2) 0.0283(11) Uani 1 1 d . . .
C38 C -0.0393(3) 0.8616(4) -0.5847(3) 0.0352(13) Uani 1 1 d . . .
H38A H -0.0191 0.8844 -0.6065 0.042 Uiso 1 1 calc R . .
C39 C 0.2513(3) 1.1257(4) -0.5317(3) 0.0449(16) Uani 1 1 d . . .
H39A H 0.2938 1.1477 -0.5114 0.054 Uiso 1 1 calc R . .
C40 C 0.1277(3) 0.9754(4) -0.4124(2) 0.0308(12) Uani 1 1 d . . .
C41 C -0.0427(3) 0.8340(4) -0.4946(2) 0.0324(13) Uani 1 1 d . . .
H41A H -0.0249 0.8374 -0.4546 0.039 Uiso 1 1 calc R . .
C42 C 0.1903(3) 1.2431(4) 0.1519(2) 0.0344(13) Uani 1 1 d . . .
C44 C 0.2524(3) 1.2069(4) 0.1809(3) 0.0479(16) Uani 1 1 d . . .
H44A H 0.2759 1.1880 0.1606 0.057 Uiso 1 1 calc R . .
C45 C 0.1582(3) 1.2518(3) 0.0877(2) 0.0317(12) Uani 1 1 d . . .
C46 C 0.1605(3) 1.1037(4) -0.6157(3) 0.0438(15) Uani 1 1 d . . .
H46A H 0.1383 1.1108 -0.6555 0.053 Uiso 1 1 calc R . .
C47 C -0.0179(3) 1.3579(4) -0.0817(3) 0.0332(13) Uani 1 1 d . . .
H47A H 0.0015 1.3351 -0.1040 0.040 Uiso 1 1 calc R . .
C48 C -0.0113(3) 0.8726(3) -0.5252(2) 0.0292(12) Uani 1 1 d . . .
C49 C 0.0127(3) 1.3502(3) -0.0226(2) 0.0300(12) Uani 1 1 d . . .
C50 C 0.2119(3) 1.0376(4) -0.3223(3) 0.0451(16) Uani 1 1 d . . .
H50A H 0.2280 1.0680 -0.3441 0.054 Uiso 1 1 calc R . .
C51 C 0.1869(4) 1.2571(5) 0.2425(3) 0.0508(17) Uani 1 1 d . . .
H51A H 0.1641 1.2748 0.2637 0.061 Uiso 1 1 calc R . .
C52 C -0.1009(3) 0.7907(3) -0.5256(3) 0.0350(13) Uani 1 1 d . . .
H52A H -0.1220 0.7664 -0.5050 0.042 Uiso 1 1 calc R . .
C53 C 0.2790(3) 1.1992(5) 0.2400(3) 0.0523(19) Uani 1 1 d . . .
H53A H 0.3214 1.1762 0.2592 0.063 Uiso 1 1 calc R . .
C54 C -0.0778(3) 1.4288(4) -0.0209(3) 0.0415(15) Uani 1 1 d . . .
H54A H -0.0979 1.4538 0.0002 0.050 Uiso 1 1 calc R . .
C55 C 0.1562(3) 1.2679(4) 0.1834(3) 0.0452(16) Uani 1 1 d . . .
H55A H 0.1138 1.2913 0.1654 0.054 Uiso 1 1 calc R . .
C56 C 0.1554(3) 1.1753(4) -0.0927(3) 0.0400(14) Uani 1 1 d . . .
H56A H 0.1164 1.2043 -0.1137 0.048 Uiso 1 1 calc R . .
C57 C 0.1335(3) 0.9453(4) -0.3150(3) 0.0445(16) Uani 1 1 d . . .
H57A H 0.0953 0.9133 -0.3315 0.053 Uiso 1 1 calc R . .
C58 C 0.2410(4) 1.0436(4) -0.2631(3) 0.0508(17) Uani 1 1 d . . .
H58A H 0.2764 1.0795 -0.2456 0.061 Uiso 1 1 calc R . .
C59 C 0.1673(4) 0.9539(5) -0.2559(3) 0.0551(19) Uani 1 1 d . . .
H59A H 0.1514 0.9252 -0.2332 0.066 Uiso 1 1 calc R . .
C60 C 0.1857(3) 1.1314(4) -0.1207(3) 0.0457(16) Uani 1 1 d . . .
H60A H 0.1651 1.1298 -0.1609 0.055 Uiso 1 1 calc R . .
N1 N -0.1286(2) 0.7813(3) -0.5825(2) 0.0350(11) Uani 1 1 d . . .
N2 N 0.2219(2) 1.1348(3) -0.5884(2) 0.0380(12) Uani 1 1 d . . .
N3 N 0.2207(3) 1.0001(4) -0.2292(2) 0.0482(14) Uani 1 1 d . . .
N4 N 0.0741(2) 0.9610(3) -0.5277(2) 0.0317(10) Uani 1 1 d . . .
N5 N 0.1560(2) 1.0175(3) -0.4409(2) 0.0329(11) Uani 1 1 d . . .
N6 N 0.0748(2) 0.9273(3) -0.4372(2) 0.0328(11) Uani 1 1 d . . .
N7 N 0.2438(3) 1.0906(3) -0.0928(2) 0.0394(12) Uani 1 1 d . . .
N8 N 0.2465(3) 1.2234(4) 0.2712(2) 0.0479(14) Uani 1 1 d . . .
N9 N -0.1080(2) 1.4351(3) -0.0783(2) 0.0375(12) Uani 1 1 d . . .
N10 N 0.1862(2) 1.2129(3) 0.0585(2) 0.0332(11) Uani 1 1 d . . .
N11 N 0.1037(2) 1.2990(3) 0.0641(2) 0.0361(11) Uani 1 1 d . . .
N12 N 0.0976(2) 1.2606(3) -0.0268(2) 0.0303(10) Uani 1 1 d . . .
Mo1 Mo -0.5000 0.71602(6) -0.7500 0.0548(3) Uani 1 2 d S . .
Mo2 Mo -0.38796(2) 0.83990(3) -0.63947(2) 0.03250(14) Uani 1 1 d . . .
Mo3 Mo -0.38349(2) 1.04035(3) -0.64324(2) 0.03370(15) Uani 1 1 d . . .
Mo4 Mo -0.5000 1.15213(6) -0.7500 0.0477(2) Uani 1 2 d S . .
Mo5 Mo -0.44853(2) 0.94347(3) -0.79093(2) 0.03076(14) Uani 1 1 d . . .
O1 O -0.5187(4) 0.6547(6) -0.7058(5) 0.156(5) Uani 1 1 d . . .
O2 O -0.4216(2) 0.7662(3) -0.7063(2) 0.0528(12) Uani 1 1 d . . .
O3 O -0.3073(2) 0.8332(3) -0.6306(2) 0.0606(13) Uani 1 1 d . . .
O4 O -0.3900(3) 0.7783(3) -0.5870(2) 0.0678(15) Uani 1 1 d . . .
O5 O -0.4111(3) 0.9364(3) -0.7147(2) 0.0585(13) Uani 1 1 d . . .
O6 O -0.3900(2) 0.9404(3) -0.6069(2) 0.0483(11) Uani 1 1 d . . .
O7 O -0.3005(3) 1.0374(4) -0.6290(3) 0.0655(14) Uani 1 1 d . . .
O8 O -0.3856(3) 1.1037(3) -0.5932(2) 0.0665(15) Uani 1 1 d . . .
O9 O -0.4967(2) 0.8558(3) -0.8221(2) 0.0610(14) Uani 1 1 d . . .
O10 O -0.3905(3) 0.9489(3) -0.8177(3) 0.0609(14) Uani 1 1 d . . .
O11 O -0.5006(2) 1.0311(3) -0.8143(2) 0.0533(12) Uani 1 1 d . . .
O12 O -0.4133(2) 1.1074(3) -0.7115(2) 0.0561(13) Uani 1 1 d . . .
O13 O -0.5087(3) 1.2131(4) -0.7006(3) 0.0785(17) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.272(5) 3_445 ?
Ag1 N8 2.306(5) 3_444 ?
Ag1 N1 2.310(5) . ?
Ag2 N9 2.273(5) 3_545 ?
Ag2 N3 2.317(5) . ?
Ag2 N7 2.340(5) . ?
C7 N12 1.318(7) . ?
C7 N10 1.340(7) . ?
C7 C37 1.507(7) . ?
C18 N5 1.337(7) . ?
C18 N4 1.342(7) . ?
C18 C29 1.490(8) . ?
C19 N9 1.340(8) . ?
C19 C47 1.382(8) . ?
C22 C46 1.376(9) . ?
C22 C29 1.367(8) . ?
C25 N1 1.344(8) . ?
C25 C38 1.375(8) . ?
C26 C54 1.394(8) . ?
C26 C49 1.409(8) . ?
C27 N11 1.331(8) . ?
C27 N12 1.349(7) . ?
C27 C49 1.488(8) . ?
C29 C33 1.389(8) . ?
C30 C50 1.379(9) . ?
C30 C57 1.385(8) . ?
C30 C40 1.484(8) . ?
C31 C32 1.382(8) . ?
C31 C37 1.388(8) . ?
C32 N7 1.332(8) . ?
C33 C39 1.365(9) . ?
C34 N4 1.336(7) . ?
C34 N6 1.343(7) . ?
C34 C48 1.486(8) . ?
C37 C56 1.376(8) . ?
C38 C48 1.393(8) . ?
C39 N2 1.323(8) . ?
C40 N6 1.330(7) . ?
C40 N5 1.343(7) . ?
C41 C52 1.385(8) . ?
C41 C48 1.402(8) . ?
C42 C55 1.379(8) . ?
C42 C44 1.384(9) . ?
C42 C45 1.495(8) . ?
C44 C53 1.378(9) . ?
C45 N10 1.325(7) . ?
C45 N11 1.342(7) . ?
C46 N2 1.331(8) . ?
C47 C49 1.376(8) . ?
C50 C58 1.375(9) . ?
C51 N8 1.323(9) . ?
C51 C55 1.383(9) . ?
C52 N1 1.328(8) . ?
C53 N8 1.343(9) . ?
C54 N9 1.335(8) . ?
C56 C60 1.380(9) . ?
C57 C59 1.380(9) . ?
C58 N3 1.345(9) . ?
C59 N3 1.323(9) . ?
C60 N7 1.350(8) . ?
N2 Ag1 2.272(5) 3 ?
N8 Ag1 2.306(5) 3_556 ?
N9 Ag2 2.273(5) 3_455 ?
Mo1 O1 1.702(8) 2_453 ?
Mo1 O1 1.702(8) . ?
Mo1 O2 1.809(5) . ?
Mo1 O2 1.809(5) 2_453 ?
Mo2 O3 1.694(5) . ?
Mo2 O4 1.708(5) . ?
Mo2 O6 1.880(5) . ?
Mo2 O2 1.976(5) . ?
Mo2 O9 2.309(5) 2_453 ?
Mo2 O5 2.392(5) . ?
Mo3 O8 1.676(5) . ?
Mo3 O7 1.701(5) . ?
Mo3 O12 1.939(5) . ?
Mo3 O6 1.944(5) . ?
Mo3 O11 2.308(5) 2_453 ?
Mo3 O5 2.403(5) . ?
Mo4 O13 1.697(6) 2_453 ?
Mo4 O13 1.697(6) . ?
Mo4 O12 1.886(5) 2_453 ?
Mo4 O12 1.886(5) . ?
Mo5 O10 1.691(4) . ?
Mo5 O5 1.770(5) . ?
Mo5 O9 1.782(5) . ?
Mo5 O11 1.794(5) . ?
O9 Mo2 2.309(5) 2_453 ?
O11 Mo3 2.308(5) 2_453 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.2(2) 3_445 3_444 ?
N2 Ag1 N1 124.01(18) 3_445 . ?
N8 Ag1 N1 106.74(19) 3_444 . ?
N9 Ag2 N3 134.1(2) 3_545 . ?
N9 Ag2 N7 122.97(18) 3_545 . ?
N3 Ag2 N7 102.81(19) . . ?
N12 C7 N10 125.2(5) . . ?
N12 C7 C37 118.8(5) . . ?
N10 C7 C37 116.0(5) . . ?
N5 C18 N4 125.1(5) . . ?
N5 C18 C29 116.2(5) . . ?
N4 C18 C29 118.7(5) . . ?
N9 C19 C47 123.3(6) . . ?
C46 C22 C29 118.5(6) . . ?
N1 C25 C38 123.7(6) . . ?
C54 C26 C49 117.7(6) . . ?
N11 C27 N12 123.9(5) . . ?
N11 C27 C49 118.3(5) . . ?
N12 C27 C49 117.7(5) . . ?
C22 C29 C33 117.8(5) . . ?
C22 C29 C18 122.2(5) . . ?
C33 C29 C18 119.9(5) . . ?
C50 C30 C57 118.6(6) . . ?
C50 C30 C40 120.5(5) . . ?
C57 C30 C40 120.9(5) . . ?
C32 C31 C37 118.0(5) . . ?
N7 C32 C31 124.3(5) . . ?
C39 C33 C29 119.2(6) . . ?
N4 C34 N6 125.4(5) . . ?
N4 C34 C48 117.2(5) . . ?
N6 C34 C48 117.4(5) . . ?
C31 C37 C56 118.9(5) . . ?
C31 C37 C7 118.3(5) . . ?
C56 C37 C7 122.8(5) . . ?
C25 C38 C48 119.5(5) . . ?
N2 C39 C33 123.8(6) . . ?
N6 C40 N5 124.7(5) . . ?
N6 C40 C30 119.3(5) . . ?
N5 C40 C30 115.9(5) . . ?
C52 C41 C48 118.3(5) . . ?
C55 C42 C44 118.5(6) . . ?
C55 C42 C45 119.8(5) . . ?
C44 C42 C45 121.7(5) . . ?
C42 C44 C53 119.2(6) . . ?
N10 C45 N11 125.0(5) . . ?
N10 C45 C42 117.4(5) . . ?
N11 C45 C42 117.6(5) . . ?
N2 C46 C22 124.4(6) . . ?
C49 C47 C19 119.7(5) . . ?
C41 C48 C38 117.4(5) . . ?
C41 C48 C34 121.2(5) . . ?
C38 C48 C34 121.5(5) . . ?
C47 C49 C26 118.1(5) . . ?
C47 C49 C27 121.2(5) . . ?
C26 C49 C27 120.6(5) . . ?
C30 C50 C58 119.1(6) . . ?
N8 C51 C55 124.6(6) . . ?
N1 C52 C41 124.6(5) . . ?
N8 C53 C44 122.9(6) . . ?
N9 C54 C26 124.1(6) . . ?
C51 C55 C42 118.0(6) . . ?
C60 C56 C37 118.9(6) . . ?
C59 C57 C30 117.7(6) . . ?
N3 C58 C50 123.1(6) . . ?
N3 C59 C57 124.7(6) . . ?
N7 C60 C56 123.2(6) . . ?
C52 N1 C25 116.5(5) . . ?
C52 N1 Ag1 123.0(4) . . ?
C25 N1 Ag1 120.4(4) . . ?
C39 N2 C46 116.2(5) . . ?
C39 N2 Ag1 119.3(4) . 3 ?
C46 N2 Ag1 124.2(4) . 3 ?
C59 N3 C58 116.5(6) . . ?
C59 N3 Ag2 128.9(5) . . ?
C58 N3 Ag2 113.8(4) . . ?
C34 N4 C18 114.5(5) . . ?
C40 N5 C18 115.2(5) . . ?
C40 N6 C34 115.0(5) . . ?
C32 N7 C60 116.6(5) . . ?
C32 N7 Ag2 115.3(4) . . ?
C60 N7 Ag2 127.6(4) . . ?
C51 N8 C53 116.8(6) . . ?
C51 N8 Ag1 112.4(4) . 3_556 ?
C53 N8 Ag1 130.7(5) . 3_556 ?
C19 N9 C54 117.0(5) . . ?
C19 N9 Ag2 115.6(4) . 3_455 ?
C54 N9 Ag2 127.3(4) . 3_455 ?
C45 N10 C7 114.8(5) . . ?
C27 N11 C45 115.3(5) . . ?
C7 N12 C27 115.5(5) . . ?
O1 Mo1 O1 106.2(9) 2_453 . ?
O1 Mo1 O2 104.6(3) 2_453 . ?
O1 Mo1 O2 107.6(4) . . ?
O1 Mo1 O2 107.6(4) 2_453 2_453 ?
O1 Mo1 O2 104.6(3) . 2_453 ?
O2 Mo1 O2 125.0(3) . 2_453 ?
O3 Mo2 O4 103.5(3) . . ?
O3 Mo2 O6 102.8(2) . . ?
O4 Mo2 O6 99.9(2) . . ?
O3 Mo2 O2 93.3(2) . . ?
O4 Mo2 O2 100.5(3) . . ?
O6 Mo2 O2 150.1(2) . . ?
O3 Mo2 O9 164.0(2) . 2_453 ?
O4 Mo2 O9 90.6(2) . 2_453 ?
O6 Mo2 O9 81.8(2) . 2_453 ?
O2 Mo2 O9 76.5(2) . 2_453 ?
O3 Mo2 O5 90.2(2) . . ?
O4 Mo2 O5 166.1(2) . . ?
O6 Mo2 O5 73.89(18) . . ?
O2 Mo2 O5 81.21(19) . . ?
O9 Mo2 O5 76.30(19) 2_453 . ?
O8 Mo3 O7 103.4(3) . . ?
O8 Mo3 O12 102.6(3) . . ?
O7 Mo3 O12 97.3(3) . . ?
O8 Mo3 O6 98.1(3) . . ?
O7 Mo3 O6 99.5(2) . . ?
O12 Mo3 O6 149.4(2) . . ?
O8 Mo3 O11 91.0(2) . 2_453 ?
O7 Mo3 O11 164.9(2) . 2_453 ?
O12 Mo3 O11 74.60(19) . 2_453 ?
O6 Mo3 O11 82.88(19) . 2_453 ?
O8 Mo3 O5 163.0(2) . . ?
O7 Mo3 O5 92.3(2) . . ?
O12 Mo3 O5 81.36(19) . . ?
O6 Mo3 O5 72.60(18) . . ?
O11 Mo3 O5 74.00(19) 2_453 . ?
O13 Mo4 O13 106.5(4) 2_453 . ?
O13 Mo4 O12 104.9(3) 2_453 2_453 ?
O13 Mo4 O12 102.4(3) . 2_453 ?
O13 Mo4 O12 102.4(3) 2_453 . ?
O13 Mo4 O12 104.9(3) . . ?
O12 Mo4 O12 133.5(3) 2_453 . ?
O10 Mo5 O5 112.1(3) . . ?
O10 Mo5 O9 105.6(3) . . ?
O5 Mo5 O9 110.3(3) . . ?
O10 Mo5 O11 107.9(2) . . ?
O5 Mo5 O11 110.6(2) . . ?
O9 Mo5 O11 110.2(2) . . ?
Mo1 O2 Mo2 136.7(3) . . ?
Mo5 O5 Mo2 140.6(3) . . ?
Mo5 O5 Mo3 129.8(2) . . ?
Mo2 O5 Mo3 88.43(16) . . ?
Mo2 O6 Mo3 122.0(2) . . ?
Mo5 O9 Mo2 128.3(2) . 2_453 ?
Mo5 O11 Mo3 129.1(3) . 2_453 ?
Mo4 O12 Mo3 125.1(3) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.895
_refine_diff_density_min         -1.261
_refine_diff_density_rms         0.133
_database_code_depnum_ccdc_archive 'CCDC 956840'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_380K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9717(6)
_cell_length_b                   16.6692(6)
_cell_length_c                   25.6289(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.344(5)
_cell_angle_gamma                90.00
_cell_volume                     8483.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    380.00(10)
_cell_measurement_reflns_used    14686
_cell_measurement_theta_min      3.1910
_cell_measurement_theta_max      28.8470

_exptl_crystal_description       block-like
_exptl_crystal_colour            crimson
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.243
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.73164
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      380.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19756
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0452
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7272
_reflns_number_gt                6043
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0648P)²+21.6801P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7272
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0421
_refine_ls_wR_factor_ref         0.1291
_refine_ls_wR_factor_gt          0.1189
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.27371(2) 0.20896(4) -0.13192(2) 0.04890(17) Uani 1 1 d . . .
Ag2 Ag 0.29539(3) 0.00244(4) 0.36756(2) 0.05608(19) Uani 1 1 d . . .
C11 C -0.0779(3) 0.3997(4) 0.3920(3) 0.0350(13) Uani 1 1 d . . .
H11A H -0.0983 0.4034 0.3519 0.042 Uiso 1 1 calc R . .
C12 C 0.1535(3) 0.2200(3) 0.5008(2) 0.0294(12) Uani 1 1 d . . .
C19 C 0.1276(3) 0.0614(4) -0.0891(3) 0.0399(15) Uani 1 1 d . . .
H19A H 0.0849 0.0401 -0.1104 0.048 Uiso 1 1 calc R . .
C25 C 0.1280(3) 0.0072(3) 0.0019(2) 0.0287(12) Uani 1 1 d . . .
C26 C -0.0183(3) 0.3870(4) 0.5090(3) 0.0401(15) Uani 1 1 d . . .
H26A H 0.0009 0.3836 0.5491 0.048 Uiso 1 1 calc R . .
C27 C -0.0970(3) -0.1846(4) -0.1111(3) 0.0396(15) Uani 1 1 d . . .
H27A H -0.1147 -0.1917 -0.1509 0.048 Uiso 1 1 calc R . .
C28 C 0.0748(3) 0.3015(3) 0.5063(3) 0.0307(13) Uani 1 1 d . . .
C29 C 0.2434(3) 0.1334(4) 0.4965(3) 0.0345(13) Uani 1 1 d . . .
H29A H 0.2637 0.1323 0.5367 0.041 Uiso 1 1 calc R . .
C30 C 0.2711(3) 0.0932(4) 0.4648(3) 0.0365(14) Uani 1 1 d . . .
H30A H 0.3113 0.0658 0.4848 0.044 Uiso 1 1 calc R . .
C31 C 0.2228(3) 0.0850(4) -0.0010(3) 0.0412(15) Uani 1 1 d . . .
H31A H 0.2460 0.0799 0.0388 0.049 Uiso 1 1 calc R . .
C32 C 0.1596(3) 0.0517(3) -0.0305(3) 0.0309(13) Uani 1 1 d . . .
C34 C 0.1274(3) -0.0241(4) 0.0875(3) 0.0314(13) Uani 1 1 d . . .
C35 C 0.1583(3) -0.0144(4) 0.1512(3) 0.0350(13) Uani 1 1 d . . .
C37 C -0.0394(3) -0.1387(4) -0.0847(3) 0.0368(14) Uani 1 1 d . . .
H37A H -0.0196 -0.1156 -0.1066 0.044 Uiso 1 1 calc R . .
C38 C 0.1839(3) 0.1757(3) 0.4663(2) 0.0284(12) Uani 1 1 d . . .
C39 C 0.1900(3) 0.2424(4) 0.6514(3) 0.0380(14) Uani 1 1 d . . .
C40 C 0.2507(3) 0.1259(5) -0.0322(3) 0.0495(18) Uani 1 1 d . . .
H40A H 0.2928 0.1490 -0.0119 0.059 Uiso 1 1 calc R . .
C41 C -0.0179(3) 0.3580(4) 0.4183(3) 0.0349(13) Uani 1 1 d . . .
H41A H 0.0017 0.3355 0.3960 0.042 Uiso 1 1 calc R . .
C42 C -0.0428(3) -0.1662(4) 0.0051(3) 0.0350(14) Uani 1 1 d . . .
H42A H -0.0250 -0.1629 0.0452 0.042 Uiso 1 1 calc R . .
C43 C 0.2520(3) 0.2073(5) 0.6805(3) 0.0483(17) Uani 1 1 d . . .
H43A H 0.2759 0.1896 0.6602 0.058 Uiso 1 1 calc R . .
C44 C 0.0495(3) -0.0772(3) 0.0051(2) 0.0283(12) Uani 1 1 d . . .
C46 C 0.2791(3) 0.1982(5) 0.7399(3) 0.055(2) Uani 1 1 d . . .
H46A H 0.3211 0.1743 0.7589 0.066 Uiso 1 1 calc R . .
C47 C 0.1606(3) 0.1039(4) -0.1157(3) 0.0450(16) Uani 1 1 d . . .
H47A H 0.1382 0.1114 -0.1554 0.054 Uiso 1 1 calc R . .
C48 C 0.0126(3) 0.3499(3) 0.4770(3) 0.0315(13) Uani 1 1 d . . .
C49 C 0.1558(4) 0.2682(4) 0.6832(3) 0.0478(17) Uani 1 1 d . . .
H49A H 0.1136 0.2921 0.6654 0.057 Uiso 1 1 calc R . .
C50 C 0.1583(3) 0.2516(4) 0.5874(3) 0.0338(13) Uani 1 1 d . . .
C51 C -0.1010(3) -0.2093(4) -0.0257(3) 0.0361(14) Uani 1 1 d . . .
H51A H -0.1223 -0.2331 -0.0051 0.043 Uiso 1 1 calc R . .
C52 C 0.1871(4) 0.2566(5) 0.7424(3) 0.0528(18) Uani 1 1 d . . .
H52A H 0.1643 0.2741 0.7637 0.063 Uiso 1 1 calc R . .
C53 C 0.1552(3) 0.1752(4) 0.4070(3) 0.0398(15) Uani 1 1 d . . .
H53A H 0.1160 0.2040 0.3860 0.048 Uiso 1 1 calc R . .
C54 C -0.0778(3) 0.4286(4) 0.4793(3) 0.0422(16) Uani 1 1 d . . .
H54A H -0.0978 0.4534 0.5005 0.051 Uiso 1 1 calc R . .
C55 C 0.2412(4) 0.0439(5) 0.2368(3) 0.0501(17) Uani 1 1 d . . .
H55A H 0.2767 0.0796 0.2542 0.060 Uiso 1 1 calc R . .
C56 C 0.2118(3) 0.0377(5) 0.1774(3) 0.0478(17) Uani 1 1 d . . .
H56A H 0.2277 0.0680 0.1554 0.057 Uiso 1 1 calc R . .
C57 C 0.1333(4) -0.0551(4) 0.1846(3) 0.0468(17) Uani 1 1 d . . .
H57A H 0.0951 -0.0872 0.1680 0.056 Uiso 1 1 calc R . .
C58 C -0.0112(3) -0.1273(3) -0.0253(3) 0.0309(13) Uani 1 1 d . . .
C59 C 0.1674(4) -0.0462(5) 0.2442(3) 0.057(2) Uani 1 1 d . . .
H59A H 0.1516 -0.0751 0.2670 0.068 Uiso 1 1 calc R . .
C60 C 0.1859(4) 0.1312(5) 0.3795(3) 0.0489(17) Uani 1 1 d . . .
H60A H 0.1652 0.1292 0.3394 0.059 Uiso 1 1 calc R . .
N1 N 0.2220(2) 0.1346(3) -0.0884(2) 0.0396(12) Uani 1 1 d . . .
N2 N -0.1286(2) -0.2192(3) -0.0825(2) 0.0348(11) Uani 1 1 d . . .
N3 N 0.2206(3) 0.0002(4) 0.2709(2) 0.0493(15) Uani 1 1 d . . .
N4 N 0.0740(2) -0.0393(3) -0.0279(2) 0.0323(11) Uani 1 1 d . . .
N5 N 0.0747(2) -0.0726(3) 0.0626(2) 0.0332(11) Uani 1 1 d . . .
N6 N 0.1558(2) 0.0175(3) 0.0587(2) 0.0337(11) Uani 1 1 d . . .
N7 N 0.2438(3) 0.0910(3) 0.4072(2) 0.0399(12) Uani 1 1 d . . .
N8 N -0.1080(3) 0.4352(3) 0.4220(2) 0.0391(12) Uani 1 1 d . . .
N9 N 0.2464(3) 0.2230(4) 0.7711(2) 0.0494(14) Uani 1 1 d . . .
N10 N 0.0971(2) 0.2608(3) 0.4727(2) 0.0320(11) Uani 1 1 d . . .
N11 N 0.1036(2) 0.2993(3) 0.5640(2) 0.0364(12) Uani 1 1 d . . .
N12 N 0.1861(2) 0.2126(3) 0.5584(2) 0.0334(11) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.21623(6) -0.2500 0.0558(3) Uani 1 2 d S . .
Mo2 Mo 0.11203(2) 0.33998(3) -0.13945(2) 0.03325(15) Uani 1 1 d . . .
Mo3 Mo 0.11641(2) 0.54031(3) -0.14319(2) 0.03470(16) Uani 1 1 d . . .
Mo4 Mo 0.05155(2) 0.44338(3) -0.29086(2) 0.03165(15) Uani 1 1 d . . .
Mo5 Mo 0.0000 0.65236(6) -0.2500 0.0491(2) Uani 1 2 d S . .
O1 O -0.0194(4) 0.1556(6) -0.2059(5) 0.160(5) Uani 1 1 d . . .
O2 O 0.0785(2) 0.2662(3) -0.2063(2) 0.0532(12) Uani 1 1 d . . .
O3 O 0.1106(3) 0.2793(4) -0.0865(2) 0.0701(16) Uani 1 1 d . . .
O4 O 0.1928(3) 0.3329(4) -0.1306(2) 0.0653(15) Uani 1 1 d . . .
O5 O 0.0886(3) 0.4362(3) -0.2148(2) 0.0603(14) Uani 1 1 d . . .
O6 O 0.0032(2) 0.3561(3) -0.3222(2) 0.0629(14) Uani 1 1 d . . .
O7 O 0.1097(3) 0.4486(3) -0.3176(3) 0.0622(15) Uani 1 1 d . . .
O8 O -0.0005(2) 0.5315(3) -0.3148(2) 0.0551(13) Uani 1 1 d . . .
O9 O 0.1100(2) 0.4401(3) -0.1070(2) 0.0510(12) Uani 1 1 d . . .
O10 O 0.1992(3) 0.5376(4) -0.1293(3) 0.0702(16) Uani 1 1 d . . .
O11 O 0.0867(2) 0.6075(3) -0.2115(2) 0.0590(13) Uani 1 1 d . . .
O12 O 0.1146(3) 0.6032(4) -0.0929(2) 0.0699(16) Uani 1 1 d . . .
O13 O -0.0089(3) 0.7131(4) -0.2009(3) 0.0838(18) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.269(5) . ?
Ag1 N2 2.307(5) 3 ?
Ag1 N9 2.307(5) 1_554 ?
Ag2 N8 2.275(5) 3_545 ?
Ag2 N3 2.315(6) . ?
Ag2 N7 2.341(5) . ?
C11 N8 1.346(8) . ?
C11 C41 1.383(8) . ?
C12 N10 1.324(7) . ?
C12 N12 1.342(7) . ?
C12 C38 1.508(8) . ?
C19 C32 1.369(9) . ?
C19 C47 1.384(9) . ?
C25 N6 1.328(7) . ?
C25 N4 1.347(7) . ?
C25 C32 1.488(8) . ?
C26 C54 1.386(8) . ?
C26 C48 1.411(8) . ?
C27 N2 1.337(8) . ?
C27 C37 1.381(8) . ?
C28 N11 1.337(8) . ?
C28 N10 1.345(7) . ?
C28 C48 1.485(8) . ?
C29 C30 1.381(8) . ?
C29 C38 1.393(8) . ?
C30 N7 1.335(8) . ?
C31 C40 1.378(9) . ?
C31 C32 1.381(8) . ?
C34 N5 1.330(7) . ?
C34 N6 1.345(7) . ?
C34 C35 1.482(8) . ?
C35 C56 1.382(9) . ?
C35 C57 1.379(9) . ?
C37 C58 1.389(8) . ?
C38 C53 1.374(8) . ?
C39 C43 1.372(9) . ?
C39 C49 1.393(9) . ?
C39 C50 1.489(8) . ?
C40 N1 1.310(8) . ?
C41 C48 1.366(8) . ?
C42 C51 1.381(8) . ?
C42 C58 1.406(8) . ?
C43 C46 1.387(9) . ?
C44 N4 1.337(7) . ?
C44 N5 1.337(7) . ?
C44 C58 1.481(8) . ?
C46 N9 1.347(9) . ?
C47 N1 1.329(8) . ?
C49 C52 1.386(10) . ?
C50 N12 1.319(7) . ?
C50 N11 1.349(7) . ?
C51 N2 1.326(8) . ?
C52 N9 1.315(9) . ?
C53 C60 1.377(9) . ?
C54 N8 1.331(8) . ?
C55 N3 1.355(9) . ?
C55 C56 1.378(9) . ?
C57 C59 1.391(10) . ?
C59 N3 1.322(9) . ?
C60 N7 1.341(8) . ?
N2 Ag1 2.307(5) 3_445 ?
N8 Ag2 2.275(5) 3_455 ?
N9 Ag1 2.307(5) 1_556 ?
Mo1 O1 1.701(8) . ?
Mo1 O1 1.701(8) 2_554 ?
Mo1 O2 1.808(5) . ?
Mo1 O2 1.808(5) 2_554 ?
Mo2 O4 1.693(5) . ?
Mo2 O3 1.703(5) . ?
Mo2 O9 1.874(5) . ?
Mo2 O2 1.977(5) . ?
Mo2 O6 2.305(5) 2_554 ?
Mo2 O5 2.390(5) . ?
Mo3 O12 1.674(5) . ?
Mo3 O10 1.699(5) . ?
Mo3 O11 1.941(5) . ?
Mo3 O9 1.944(5) . ?
Mo3 O8 2.306(5) 2_554 ?
Mo3 O5 2.407(5) . ?
Mo4 O7 1.690(4) . ?
Mo4 O5 1.766(5) . ?
Mo4 O6 1.778(5) . ?
Mo4 O8 1.800(5) . ?
Mo5 O13 1.692(6) . ?
Mo5 O13 1.692(6) 2_554 ?
Mo5 O11 1.885(5) 2_554 ?
Mo5 O11 1.885(5) . ?
O6 Mo2 2.305(5) 2_554 ?
O8 Mo3 2.306(5) 2_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N2 123.89(18) . 3 ?
N1 Ag1 N9 129.1(2) . 1_554 ?
N2 Ag1 N9 106.89(19) 3 1_554 ?
N8 Ag2 N3 134.2(2) 3_545 . ?
N8 Ag2 N7 122.86(19) 3_545 . ?
N3 Ag2 N7 102.8(2) . . ?
N8 C11 C41 122.7(6) . . ?
N10 C12 N12 125.5(5) . . ?
N10 C12 C38 118.5(5) . . ?
N12 C12 C38 116.0(5) . . ?
C32 C19 C47 118.0(6) . . ?
N6 C25 N4 125.1(5) . . ?
N6 C25 C32 116.2(5) . . ?
N4 C25 C32 118.6(5) . . ?
C54 C26 C48 118.3(6) . . ?
N2 C27 C37 123.4(6) . . ?
N11 C28 N10 124.5(5) . . ?
N11 C28 C48 118.1(5) . . ?
N10 C28 C48 117.3(5) . . ?
C30 C29 C38 117.7(5) . . ?
N7 C30 C29 124.3(6) . . ?
C40 C31 C32 118.4(6) . . ?
C19 C32 C31 118.4(5) . . ?
C19 C32 C25 121.8(5) . . ?
C31 C32 C25 119.8(5) . . ?
N5 C34 N6 124.2(5) . . ?
N5 C34 C35 119.3(5) . . ?
N6 C34 C35 116.5(5) . . ?
C56 C35 C57 119.2(6) . . ?
C56 C35 C34 119.9(5) . . ?
C57 C35 C34 120.9(6) . . ?
C27 C37 C58 119.9(6) . . ?
C53 C38 C29 119.2(5) . . ?
C53 C38 C12 122.9(5) . . ?
C29 C38 C12 117.9(5) . . ?
C43 C39 C49 118.1(6) . . ?
C43 C39 C50 122.0(5) . . ?
C49 C39 C50 119.8(6) . . ?
N1 C40 C31 124.7(6) . . ?
C48 C41 C11 120.1(5) . . ?
C51 C42 C58 118.6(6) . . ?
C39 C43 C46 120.2(6) . . ?
N4 C44 N5 125.5(5) . . ?
N4 C44 C58 116.7(5) . . ?
N5 C44 C58 117.8(5) . . ?
N9 C46 C43 122.0(6) . . ?
N1 C47 C19 124.6(6) . . ?
C41 C48 C26 117.8(5) . . ?
C41 C48 C28 121.5(5) . . ?
C26 C48 C28 120.7(5) . . ?
C52 C49 C39 117.4(6) . . ?
N12 C50 N11 125.4(5) . . ?
N12 C50 C39 117.3(5) . . ?
N11 C50 C39 117.3(5) . . ?
N2 C51 C42 124.7(5) . . ?
N9 C52 C49 125.4(6) . . ?
C60 C53 C38 118.5(6) . . ?
N8 C54 C26 123.8(6) . . ?
N3 C55 C56 122.9(6) . . ?
C55 C56 C35 118.9(6) . . ?
C35 C57 C59 117.4(6) . . ?
C37 C58 C42 116.7(5) . . ?
C37 C58 C44 122.2(5) . . ?
C42 C58 C44 121.2(5) . . ?
N3 C59 C57 124.8(6) . . ?
N7 C60 C53 123.9(6) . . ?
C40 N1 C47 115.9(5) . . ?
C40 N1 Ag1 119.7(4) . . ?
C47 N1 Ag1 124.2(4) . . ?
C51 N2 C27 116.6(5) . . ?
C51 N2 Ag1 123.2(4) . 3_445 ?
C27 N2 Ag1 120.2(4) . 3_445 ?
C59 N3 C55 116.6(6) . . ?
C59 N3 Ag2 128.9(5) . . ?
C55 N3 Ag2 113.7(4) . . ?
C44 N4 C25 114.1(5) . . ?
C34 N5 C44 115.4(5) . . ?
C25 N6 C34 115.6(5) . . ?
C60 N7 C30 116.5(5) . . ?
C60 N7 Ag2 127.7(4) . . ?
C30 N7 Ag2 115.2(4) . . ?
C54 N8 C11 117.3(5) . . ?
C54 N8 Ag2 127.6(4) . 3_455 ?
C11 N8 Ag2 115.1(4) . 3_455 ?
C52 N9 C46 116.9(6) . . ?
C52 N9 Ag1 112.5(4) . 1_556 ?
C46 N9 Ag1 130.4(5) . 1_556 ?
C12 N10 C28 115.0(5) . . ?
C28 N11 C50 114.6(5) . . ?
C50 N12 C12 114.6(5) . . ?
O1 Mo1 O1 107.1(9) . 2_554 ?
O1 Mo1 O2 107.8(4) . . ?
O1 Mo1 O2 104.0(3) 2_554 . ?
O1 Mo1 O2 104.0(3) . 2_554 ?
O1 Mo1 O2 107.8(4) 2_554 2_554 ?
O2 Mo1 O2 125.1(3) . 2_554 ?
O4 Mo2 O3 103.1(3) . . ?
O4 Mo2 O9 103.0(2) . . ?
O3 Mo2 O9 99.4(2) . . ?
O4 Mo2 O2 93.1(2) . . ?
O3 Mo2 O2 101.2(3) . . ?
O9 Mo2 O2 150.2(2) . . ?
O4 Mo2 O6 164.0(2) . 2_554 ?
O3 Mo2 O6 91.0(2) . 2_554 ?
O9 Mo2 O6 81.6(2) . 2_554 ?
O2 Mo2 O6 76.6(2) . 2_554 ?
O4 Mo2 O5 90.4(2) . . ?
O3 Mo2 O5 166.1(2) . . ?
O9 Mo2 O5 73.90(19) . . ?
O2 Mo2 O5 81.13(19) . . ?
O6 Mo2 O5 76.10(19) 2_554 . ?
O12 Mo3 O10 103.4(3) . . ?
O12 Mo3 O11 102.9(3) . . ?
O10 Mo3 O11 97.0(3) . . ?
O12 Mo3 O9 98.0(3) . . ?
O10 Mo3 O9 99.6(3) . . ?
O11 Mo3 O9 149.4(2) . . ?
O12 Mo3 O8 90.8(2) . 2_554 ?
O10 Mo3 O8 165.0(3) . 2_554 ?
O11 Mo3 O8 74.77(19) . 2_554 ?
O9 Mo3 O8 82.92(19) . 2_554 ?
O12 Mo3 O5 162.9(2) . . ?
O10 Mo3 O5 92.3(3) . . ?
O11 Mo3 O5 81.4(2) . . ?
O9 Mo3 O5 72.39(19) . . ?
O8 Mo3 O5 74.23(19) 2_554 . ?
O7 Mo4 O5 112.3(3) . . ?
O7 Mo4 O6 105.6(3) . . ?
O5 Mo4 O6 110.3(3) . . ?
O7 Mo4 O8 107.5(2) . . ?
O5 Mo4 O8 110.9(2) . . ?
O6 Mo4 O8 110.1(2) . . ?
O13 Mo5 O13 106.4(5) . 2_554 ?
O13 Mo5 O11 102.3(3) . 2_554 ?
O13 Mo5 O11 105.2(3) 2_554 2_554 ?
O13 Mo5 O11 105.2(3) . . ?
O13 Mo5 O11 102.3(3) 2_554 . ?
O11 Mo5 O11 133.2(3) 2_554 . ?
Mo1 O2 Mo2 136.6(3) . . ?
Mo4 O5 Mo2 140.8(3) . . ?
Mo4 O5 Mo3 129.7(3) . . ?
Mo2 O5 Mo3 88.36(17) . . ?
Mo4 O6 Mo2 128.5(3) . 2_554 ?
Mo4 O8 Mo3 128.7(3) . 2_554 ?
Mo2 O9 Mo3 122.2(2) . . ?
Mo5 O11 Mo3 125.1(3) . . ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.775
_refine_diff_density_min         -1.233
_refine_diff_density_rms         0.139
_database_code_depnum_ccdc_archive 'CCDC 956841'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_410K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9504(7)
_cell_length_b                   16.7095(7)
_cell_length_c                   25.6128(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.366(5)
_cell_angle_gamma                90.00
_cell_volume                     8488.6(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    410.01(10)
_cell_measurement_reflns_used    14017
_cell_measurement_theta_min      3.1920
_cell_measurement_theta_max      28.7900

_exptl_crystal_description       block-like
_exptl_crystal_colour            crimson
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.241
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.131
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.73506
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      410.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19739
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7274
_reflns_number_gt                5967
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0742P)²+17.9769P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7274
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0447
_refine_ls_wR_factor_ref         0.1412
_refine_ls_wR_factor_gt          0.1293
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.27363(3) 0.20879(4) -0.13206(2) 0.05384(19) Uani 1 1 d . . .
Ag2 Ag 0.79557(3) 0.50313(4) 0.36744(2) 0.0611(2) Uani 1 1 d . . .
C3 C 0.6531(3) 0.7198(3) 0.5003(3) 0.0301(13) Uani 1 1 d . . .
C15 C 0.4222(3) 0.8995(4) 0.3919(3) 0.0388(14) Uani 1 1 d . . .
H15A H 0.4014 0.9025 0.3518 0.047 Uiso 1 1 calc R . .
C16 C 0.6276(3) 0.5611(4) -0.0894(3) 0.0440(16) Uani 1 1 d . . .
H16A H 0.5849 0.5397 -0.1108 0.053 Uiso 1 1 calc R . .
C23 C 0.6275(3) 0.5067(4) 0.0017(3) 0.0310(13) Uani 1 1 d . . .
C24 C 0.5746(3) 0.8016(4) 0.5060(3) 0.0350(14) Uani 1 1 d . . .
C25 C 0.7707(3) 0.5935(4) 0.4646(3) 0.0388(14) Uani 1 1 d . . .
H25A H 0.8108 0.5659 0.4848 0.047 Uiso 1 1 calc R . .
C26 C 0.4819(3) 0.8873(4) 0.5087(3) 0.0442(16) Uani 1 1 d . . .
H26A H 0.5013 0.8842 0.5488 0.053 Uiso 1 1 calc R . .
C27 C 0.4029(3) 0.3159(4) -0.1112(3) 0.0430(15) Uani 1 1 d . . .
H27A H 0.3847 0.3095 -0.1511 0.052 Uiso 1 1 calc R . .
C29 C 0.7428(3) 0.6339(4) 0.4956(3) 0.0372(14) Uani 1 1 d . . .
H29A H 0.7634 0.6331 0.5358 0.045 Uiso 1 1 calc R . .
C31 C 0.6589(3) 0.5515(4) -0.0310(3) 0.0347(14) Uani 1 1 d . . .
C32 C 0.7224(3) 0.5851(5) -0.0018(3) 0.0452(16) Uani 1 1 d . . .
H32A H 0.7453 0.5804 0.0381 0.054 Uiso 1 1 calc R . .
C33 C 0.6836(3) 0.6759(4) 0.4663(2) 0.0313(13) Uani 1 1 d . . .
C35 C 0.6269(3) 0.4753(4) 0.0872(3) 0.0338(13) Uani 1 1 d . . .
C36 C 0.6581(3) 0.4858(4) 0.1505(3) 0.0371(14) Uani 1 1 d . . .
C37 C 0.4819(3) 0.8584(4) 0.4180(3) 0.0366(14) Uani 1 1 d . . .
H37A H 0.5016 0.8362 0.3957 0.044 Uiso 1 1 calc R . .
C38 C 0.5496(3) 0.4225(3) 0.0046(3) 0.0316(13) Uani 1 1 d . . .
C39 C 0.6899(3) 0.7420(4) 0.6515(3) 0.0399(15) Uani 1 1 d . . .
C40 C 0.4572(3) 0.3341(4) 0.0053(3) 0.0366(14) Uani 1 1 d . . .
H40A H 0.4751 0.3376 0.0454 0.044 Uiso 1 1 calc R . .
C41 C 0.7510(3) 0.6248(5) -0.0319(3) 0.0506(18) Uani 1 1 d . . .
H41A H 0.7937 0.6465 -0.0114 0.061 Uiso 1 1 calc R . .
C43 C 0.4607(3) 0.3609(4) -0.0851(3) 0.0397(15) Uani 1 1 d . . .
H43A H 0.4809 0.3833 -0.1070 0.048 Uiso 1 1 calc R . .
C44 C 0.7518(4) 0.7071(5) 0.6800(3) 0.0535(19) Uani 1 1 d . . .
H44A H 0.7758 0.6895 0.6598 0.064 Uiso 1 1 calc R . .
C46 C 0.6605(3) 0.6030(5) -0.1158(3) 0.0485(17) Uani 1 1 d . . .
H46A H 0.6382 0.6098 -0.1556 0.058 Uiso 1 1 calc R . .
C47 C 0.7783(4) 0.6982(5) 0.7396(3) 0.058(2) Uani 1 1 d . . .
H47A H 0.8202 0.6738 0.7586 0.070 Uiso 1 1 calc R . .
C48 C 0.3990(3) 0.2909(4) -0.0257(3) 0.0390(15) Uani 1 1 d . . .
H48A H 0.3777 0.2671 -0.0051 0.047 Uiso 1 1 calc R . .
C49 C 0.6561(4) 0.7677(5) 0.6833(3) 0.0525(19) Uani 1 1 d . . .
H49A H 0.6140 0.7918 0.6654 0.063 Uiso 1 1 calc R . .
C50 C 0.6583(3) 0.7515(4) 0.5872(3) 0.0343(13) Uani 1 1 d . . .
C51 C 0.5124(3) 0.8500(4) 0.4769(3) 0.0353(14) Uani 1 1 d . . .
C52 C 0.6550(3) 0.6751(4) 0.4070(3) 0.0441(16) Uani 1 1 d . . .
H52A H 0.6158 0.7039 0.3859 0.053 Uiso 1 1 calc R . .
C53 C 0.6864(4) 0.7567(5) 0.7419(3) 0.0562(19) Uani 1 1 d . . .
H53A H 0.6633 0.7740 0.7629 0.067 Uiso 1 1 calc R . .
C54 C 0.7124(3) 0.5370(5) 0.1773(3) 0.0531(19) Uani 1 1 d . . .
H54A H 0.7290 0.5667 0.1555 0.064 Uiso 1 1 calc R . .
C55 C 0.4885(3) 0.3725(4) -0.0255(3) 0.0341(13) Uani 1 1 d . . .
C56 C 0.4221(3) 0.9291(4) 0.4790(3) 0.0449(16) Uani 1 1 d . . .
H56A H 0.4019 0.9536 0.5002 0.054 Uiso 1 1 calc R . .
C57 C 0.7415(4) 0.5433(5) 0.2366(3) 0.059(2) Uani 1 1 d . . .
H57A H 0.7776 0.5782 0.2540 0.071 Uiso 1 1 calc R . .
C58 C 0.6330(4) 0.4460(5) 0.1844(3) 0.0519(19) Uani 1 1 d . . .
H58A H 0.5944 0.4147 0.1681 0.062 Uiso 1 1 calc R . .
C59 C 0.6677(4) 0.4546(6) 0.2438(3) 0.066(2) Uani 1 1 d . . .
H59A H 0.6526 0.4248 0.2667 0.079 Uiso 1 1 calc R . .
C60 C 0.6853(4) 0.6310(5) 0.3790(3) 0.0497(17) Uani 1 1 d . . .
H60A H 0.6642 0.6286 0.3389 0.060 Uiso 1 1 calc R . .
N1 N 0.3715(3) 0.2809(3) -0.0825(2) 0.0401(13) Uani 1 1 d . . .
N2 N 0.7216(3) 0.6345(3) -0.0889(2) 0.0425(13) Uani 1 1 d . . .
N3 N 0.7203(3) 0.5014(4) 0.2706(3) 0.0558(16) Uani 1 1 d . . .
N4 N 0.5739(2) 0.4610(3) -0.0279(2) 0.0350(11) Uani 1 1 d . . .
N5 N 0.6557(3) 0.5171(3) 0.0583(2) 0.0381(12) Uani 1 1 d . . .
N6 N 0.5749(3) 0.4272(3) 0.0626(2) 0.0369(12) Uani 1 1 d . . .
N7 N 0.7436(3) 0.5914(3) 0.4068(2) 0.0432(13) Uani 1 1 d . . .
N8 N 0.7463(3) 0.7232(4) 0.7710(3) 0.0523(15) Uani 1 1 d . . .
N9 N 0.3922(3) 0.9358(3) 0.4220(2) 0.0405(13) Uani 1 1 d . . .
N10 N 0.5973(2) 0.7611(3) 0.4729(2) 0.0337(11) Uani 1 1 d . . .
N11 N 0.6858(3) 0.7129(3) 0.5583(2) 0.0378(12) Uani 1 1 d . . .
N12 N 0.6035(3) 0.7988(3) 0.5639(2) 0.0399(12) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.21691(6) -0.2500 0.0590(3) Uani 1 2 d S . .
Mo2 Mo 0.11211(3) 0.34018(3) -0.13938(2) 0.03653(17) Uani 1 1 d . . .
Mo3 Mo 0.11618(3) 0.54012(4) -0.14303(2) 0.03822(17) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.65270(6) -0.2500 0.0538(3) Uani 1 2 d S . .
Mo5 Mo 0.05179(3) 0.44329(3) -0.29069(2) 0.03487(17) Uani 1 1 d . . .
O1 O -0.0199(5) 0.1561(6) -0.2063(6) 0.181(6) Uani 1 1 d . . .
O2 O 0.0784(3) 0.2665(3) -0.2059(2) 0.0620(14) Uani 1 1 d . . .
O3 O 0.1925(3) 0.3327(4) -0.1305(3) 0.0705(16) Uani 1 1 d . . .
O4 O 0.1104(3) 0.2797(4) -0.0866(3) 0.0798(18) Uani 1 1 d . . .
O5 O 0.1101(3) 0.4402(3) -0.1068(2) 0.0585(14) Uani 1 1 d . . .
O6 O 0.0887(3) 0.4367(3) -0.2146(2) 0.0656(15) Uani 1 1 d . . .
O7 O 0.0033(3) 0.3560(4) -0.3225(3) 0.0694(16) Uani 1 1 d . . .
O8 O 0.1094(3) 0.4481(3) -0.3177(3) 0.0689(16) Uani 1 1 d . . .
O9 O 0.1991(3) 0.5377(4) -0.1292(3) 0.0783(18) Uani 1 1 d . . .
O10 O 0.1145(3) 0.6022(4) -0.0926(3) 0.0798(19) Uani 1 1 d . . .
O11 O 0.0862(3) 0.6070(3) -0.2112(2) 0.0632(14) Uani 1 1 d . . .
O12 O -0.0004(2) 0.5314(3) -0.3149(3) 0.0621(14) Uani 1 1 d . . .
O13 O -0.0092(4) 0.7126(4) -0.2010(3) 0.092(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.269(5) 3_445 ?
Ag1 N8 2.303(6) 3_444 ?
Ag1 N1 2.312(5) . ?
Ag2 N9 2.276(5) 3_545 ?
Ag2 N3 2.317(6) . ?
Ag2 N7 2.341(5) . ?
C3 N10 1.316(7) . ?
C3 N11 1.349(8) . ?
C3 C33 1.497(8) . ?
C15 N9 1.351(8) . ?
C15 C37 1.374(9) . ?
C16 C31 1.361(9) . ?
C16 C46 1.376(9) . ?
C23 N5 1.323(8) . ?
C23 N4 1.333(8) . ?
C23 C31 1.495(8) . ?
C24 N10 1.336(8) . ?
C24 N12 1.343(8) . ?
C24 C51 1.484(9) . ?
C25 N7 1.337(8) . ?
C25 C29 1.372(9) . ?
C26 C56 1.392(9) . ?
C26 C51 1.402(9) . ?
C27 N1 1.339(8) . ?
C27 C43 1.374(9) . ?
C29 C33 1.381(8) . ?
C31 C32 1.387(8) . ?
C32 C41 1.357(9) . ?
C33 C52 1.375(9) . ?
C35 N6 1.315(8) . ?
C35 N5 1.354(8) . ?
C35 C36 1.476(8) . ?
C36 C54 1.387(9) . ?
C36 C58 1.382(9) . ?
C37 C51 1.370(9) . ?
C38 N4 1.331(8) . ?
C38 N6 1.346(8) . ?
C38 C55 1.485(8) . ?
C39 C44 1.367(9) . ?
C39 C49 1.384(9) . ?
C39 C50 1.498(9) . ?
C40 C48 1.383(9) . ?
C40 C55 1.404(8) . ?
C41 N2 1.329(9) . ?
C43 C55 1.393(9) . ?
C44 C47 1.389(10) . ?
C46 N2 1.326(8) . ?
C47 N8 1.342(9) . ?
C48 N1 1.326(8) . ?
C49 C53 1.369(10) . ?
C50 N11 1.309(8) . ?
C50 N12 1.347(8) . ?
C52 C60 1.380(9) . ?
C53 N8 1.325(10) . ?
C54 C57 1.376(10) . ?
C56 N9 1.324(9) . ?
C57 N3 1.348(10) . ?
C58 C59 1.387(10) . ?
C59 N3 1.317(10) . ?
C60 N7 1.343(9) . ?
N2 Ag1 2.269(5) 3 ?
N8 Ag1 2.303(6) 3_556 ?
N9 Ag2 2.276(5) 3_455 ?
Mo1 O1 1.700(9) 2_554 ?
Mo1 O1 1.700(9) . ?
Mo1 O2 1.805(5) . ?
Mo1 O2 1.805(5) 2_554 ?
Mo2 O3 1.686(5) . ?
Mo2 O4 1.700(6) . ?
Mo2 O5 1.876(5) . ?
Mo2 O2 1.971(5) . ?
Mo2 O7 2.306(5) 2_554 ?
Mo2 O6 2.394(5) . ?
Mo3 O10 1.669(6) . ?
Mo3 O9 1.699(6) . ?
Mo3 O11 1.936(6) . ?
Mo3 O5 1.942(5) . ?
Mo3 O12 2.301(5) 2_554 ?
Mo3 O6 2.401(5) . ?
Mo4 O13 1.684(7) . ?
Mo4 O13 1.684(7) 2_554 ?
Mo4 O11 1.881(5) 2_554 ?
Mo4 O11 1.881(5) . ?
Mo5 O8 1.684(5) . ?
Mo5 O6 1.764(5) . ?
Mo5 O7 1.784(6) . ?
Mo5 O12 1.804(6) . ?
O7 Mo2 2.306(5) 2_554 ?
O12 Mo3 2.301(5) 2_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.0(2) 3_445 3_444 ?
N2 Ag1 N1 124.1(2) 3_445 . ?
N8 Ag1 N1 106.8(2) 3_444 . ?
N9 Ag2 N3 134.5(2) 3_545 . ?
N9 Ag2 N7 123.0(2) 3_545 . ?
N3 Ag2 N7 102.3(2) . . ?
N10 C3 N11 124.6(5) . . ?
N10 C3 C33 119.5(5) . . ?
N11 C3 C33 115.9(5) . . ?
N9 C15 C37 122.8(6) . . ?
C31 C16 C46 118.4(6) . . ?
N5 C23 N4 125.6(5) . . ?
N5 C23 C31 115.9(5) . . ?
N4 C23 C31 118.5(5) . . ?
N10 C24 N12 123.8(6) . . ?
N10 C24 C51 118.1(5) . . ?
N12 C24 C51 118.0(5) . . ?
N7 C25 C29 123.8(6) . . ?
C56 C26 C51 118.6(6) . . ?
N1 C27 C43 123.8(6) . . ?
C25 C29 C33 119.1(6) . . ?
C16 C31 C32 117.6(6) . . ?
C16 C31 C23 122.4(5) . . ?
C32 C31 C23 120.0(5) . . ?
C41 C32 C31 119.6(6) . . ?
C52 C33 C29 118.2(6) . . ?
C52 C33 C3 122.8(5) . . ?
C29 C33 C3 119.0(5) . . ?
N6 C35 N5 124.5(5) . . ?
N6 C35 C36 119.8(5) . . ?
N5 C35 C36 115.6(5) . . ?
C54 C36 C58 118.4(6) . . ?
C54 C36 C35 120.9(6) . . ?
C58 C36 C35 120.7(6) . . ?
C15 C37 C51 120.2(6) . . ?
N4 C38 N6 125.1(5) . . ?
N4 C38 C55 117.4(5) . . ?
N6 C38 C55 117.5(5) . . ?
C44 C39 C49 118.6(6) . . ?
C44 C39 C50 121.2(6) . . ?
C49 C39 C50 120.2(6) . . ?
C48 C40 C55 118.0(6) . . ?
N2 C41 C32 123.9(6) . . ?
C27 C43 C55 119.3(6) . . ?
C39 C44 C47 119.0(6) . . ?
N2 C46 C16 125.0(6) . . ?
N8 C47 C44 123.1(7) . . ?
N1 C48 C40 124.7(6) . . ?
C53 C49 C39 118.2(7) . . ?
N11 C50 N12 125.5(6) . . ?
N11 C50 C39 117.5(5) . . ?
N12 C50 C39 116.9(5) . . ?
C37 C51 C26 117.6(6) . . ?
C37 C51 C24 121.2(5) . . ?
C26 C51 C24 121.2(6) . . ?
C33 C52 C60 119.1(6) . . ?
N8 C53 C49 124.9(7) . . ?
C36 C54 C57 119.1(7) . . ?
C43 C55 C40 117.5(6) . . ?
C43 C55 C38 121.6(5) . . ?
C40 C55 C38 121.0(5) . . ?
N9 C56 C26 123.4(6) . . ?
N3 C57 C54 123.3(7) . . ?
C59 C58 C36 117.4(7) . . ?
N3 C59 C58 125.5(7) . . ?
N7 C60 C52 123.4(6) . . ?
C48 N1 C27 116.6(6) . . ?
C48 N1 Ag1 123.2(4) . . ?
C27 N1 Ag1 120.2(4) . . ?
C46 N2 C41 115.5(5) . . ?
C46 N2 Ag1 124.8(5) . 3 ?
C41 N2 Ag1 119.6(4) . 3 ?
C59 N3 C57 116.1(6) . . ?
C59 N3 Ag2 129.0(5) . . ?
C57 N3 Ag2 113.6(5) . . ?
C23 N4 C38 114.5(5) . . ?
C23 N5 C35 115.0(5) . . ?
C35 N6 C38 115.3(5) . . ?
C60 N7 C25 116.4(5) . . ?
C60 N7 Ag2 127.7(4) . . ?
C25 N7 Ag2 115.2(4) . . ?
C53 N8 C47 116.2(6) . . ?
C53 N8 Ag1 112.8(4) . 3_556 ?
C47 N8 Ag1 130.8(5) . 3_556 ?
C56 N9 C15 117.3(5) . . ?
C56 N9 Ag2 127.5(4) . 3_455 ?
C15 N9 Ag2 115.2(4) . 3_455 ?
C3 N10 C24 116.2(5) . . ?
C50 N11 C3 115.0(5) . . ?
C24 N12 C50 114.7(5) . . ?
O1 Mo1 O1 106.6(10) 2_554 . ?
O1 Mo1 O2 103.9(4) 2_554 . ?
O1 Mo1 O2 107.9(4) . . ?
O1 Mo1 O2 107.9(4) 2_554 2_554 ?
O1 Mo1 O2 103.9(4) . 2_554 ?
O2 Mo1 O2 125.3(4) . 2_554 ?
O3 Mo2 O4 103.1(3) . . ?
O3 Mo2 O5 103.2(3) . . ?
O4 Mo2 O5 99.4(3) . . ?
O3 Mo2 O2 93.1(3) . . ?
O4 Mo2 O2 100.8(3) . . ?
O5 Mo2 O2 150.3(2) . . ?
O3 Mo2 O7 164.3(3) . 2_554 ?
O4 Mo2 O7 90.6(3) . 2_554 ?
O5 Mo2 O7 81.7(2) . 2_554 ?
O2 Mo2 O7 76.6(2) . 2_554 ?
O3 Mo2 O6 90.5(3) . . ?
O4 Mo2 O6 165.9(3) . . ?
O5 Mo2 O6 73.7(2) . . ?
O2 Mo2 O6 81.6(2) . . ?
O7 Mo2 O6 76.4(2) 2_554 . ?
O10 Mo3 O9 103.4(3) . . ?
O10 Mo3 O11 103.2(3) . . ?
O9 Mo3 O11 96.9(3) . . ?
O10 Mo3 O5 97.8(3) . . ?
O9 Mo3 O5 99.6(3) . . ?
O11 Mo3 O5 149.4(2) . . ?
O10 Mo3 O12 90.9(2) . 2_554 ?
O9 Mo3 O12 164.9(3) . 2_554 ?
O11 Mo3 O12 74.5(2) . 2_554 ?
O5 Mo3 O12 83.2(2) . 2_554 ?
O10 Mo3 O6 163.0(3) . . ?
O9 Mo3 O6 92.2(3) . . ?
O11 Mo3 O6 81.3(2) . . ?
O5 Mo3 O6 72.5(2) . . ?
O12 Mo3 O6 74.4(2) 2_554 . ?
O13 Mo4 O13 107.0(5) . 2_554 ?
O13 Mo4 O11 102.7(3) . 2_554 ?
O13 Mo4 O11 105.2(3) 2_554 2_554 ?
O13 Mo4 O11 105.2(3) . . ?
O13 Mo4 O11 102.7(3) 2_554 . ?
O11 Mo4 O11 132.1(3) 2_554 . ?
O8 Mo5 O6 112.7(3) . . ?
O8 Mo5 O7 104.9(3) . . ?
O6 Mo5 O7 110.8(3) . . ?
O8 Mo5 O12 107.4(2) . . ?
O6 Mo5 O12 110.7(3) . . ?
O7 Mo5 O12 110.1(3) . . ?
Mo1 O2 Mo2 137.0(3) . . ?
Mo2 O5 Mo3 122.3(3) . . ?
Mo5 O6 Mo2 140.3(3) . . ?
Mo5 O6 Mo3 130.1(3) . . ?
Mo2 O6 Mo3 88.47(18) . . ?
Mo5 O7 Mo2 128.3(3) . 2_554 ?
Mo4 O11 Mo3 125.9(3) . . ?
Mo5 O12 Mo3 128.6(3) . 2_554 ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         1.576
_refine_diff_density_min         -1.229
_refine_diff_density_rms         0.144
_database_code_depnum_ccdc_archive 'CCDC 956842'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_440K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9362(7)
_cell_length_b                   16.7329(5)
_cell_length_c                   25.5715(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.324(4)
_cell_angle_gamma                90.00
_cell_volume                     8484.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    440.01(10)
_cell_measurement_reflns_used    8995
_cell_measurement_theta_min      3.1720
_cell_measurement_theta_max      28.7850

_exptl_crystal_description       block-like
_exptl_crystal_colour            crimson
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.242
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.132
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.76672
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      440.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19701
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7274
_reflns_number_gt                5957
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0812P)²+43.3086P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7274
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1465
_refine_ls_wR_factor_gt          0.1357
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.34428(3) -0.04164(4) -0.63233(3) 0.0577(2) Uani 1 1 d . . .
Ag2 Ag 0.32166(3) 0.25405(5) -0.13281(3) 0.0658(2) Uani 1 1 d . . .
C9 C 0.5974(3) 0.4705(4) 0.0000(3) 0.0342(14) Uani 1 1 d . . .
C10 C 0.1235(3) 0.2563(4) -0.4990(3) 0.0340(14) Uani 1 1 d . . .
C15 C 0.0329(4) 0.3109(5) -0.5899(3) 0.0475(18) Uani 1 1 d . . .
H15A H 0.0541 0.2897 -0.6114 0.057 Uiso 1 1 calc R . .
C18 C 0.7201(3) 0.6503(4) -0.1083(3) 0.0417(15) Uani 1 1 d . . .
H18A H 0.7006 0.6540 -0.1485 0.050 Uiso 1 1 calc R . .
C19 C 0.0602(3) 0.3014(4) -0.5313(3) 0.0359(14) Uani 1 1 d . . .
C21 C 0.5027(3) 0.3844(4) -0.0047(3) 0.0404(15) Uani 1 1 d . . .
H21A H 0.5222 0.3837 0.0355 0.048 Uiso 1 1 calc R . .
C22 C 0.5327(3) 0.4261(4) -0.0341(3) 0.0340(13) Uani 1 1 d . . .
C23 C 0.2978(3) 0.0839(4) -0.4950(3) 0.0398(15) Uani 1 1 d . . .
H23A H 0.3199 0.0875 -0.4549 0.048 Uiso 1 1 calc R . .
C25 C 0.4435(3) 0.3438(4) -0.0358(3) 0.0432(16) Uani 1 1 d . . .
H25A H 0.4236 0.3163 -0.0155 0.052 Uiso 1 1 calc R . .
C26 C 0.6813(3) 0.5515(4) 0.0058(3) 0.0348(14) Uani 1 1 d . . .
C27 C 0.2097(3) 0.2253(4) -0.4134(3) 0.0362(14) Uani 1 1 d . . .
C28 C 0.7767(4) 0.6376(4) 0.0088(3) 0.0458(16) Uani 1 1 d . . .
H28A H 0.7975 0.6348 0.0489 0.055 Uiso 1 1 calc R . .
C32 C 0.2361(3) 0.0658(4) -0.6112(3) 0.0447(16) Uani 1 1 d . . .
H32A H 0.2145 0.0591 -0.6511 0.054 Uiso 1 1 calc R . .
C35 C 0.7113(3) 0.4929(4) 0.1511(3) 0.0414(15) Uani 1 1 d . . .
C36 C 0.2426(3) 0.2359(4) -0.3498(3) 0.0425(16) Uani 1 1 d . . .
C37 C 0.0256(3) 0.3347(5) -0.5018(3) 0.0482(18) Uani 1 1 d . . .
H37A H 0.0423 0.3295 -0.4619 0.058 Uiso 1 1 calc R . .
C38 C -0.0328(4) 0.3745(5) -0.5321(3) 0.0535(19) Uani 1 1 d . . .
H38A H -0.0547 0.3970 -0.5116 0.064 Uiso 1 1 calc R . .
C39 C 0.6792(3) 0.5017(4) 0.0868(3) 0.0386(15) Uani 1 1 d . . .
C40 C 0.7144(3) 0.6006(4) -0.0233(3) 0.0359(14) Uani 1 1 d . . .
C41 C 0.2054(3) 0.1725(4) -0.4955(3) 0.0346(14) Uani 1 1 d . . .
C42 C 0.6782(4) 0.4572(5) 0.1798(3) 0.059(2) Uani 1 1 d . . .
H42A H 0.6342 0.4392 0.1596 0.070 Uiso 1 1 calc R . .
C43 C 0.2356(3) 0.1219(4) -0.5259(3) 0.0368(14) Uani 1 1 d . . .
C45 C 0.3254(3) 0.0410(4) -0.5257(3) 0.0403(15) Uani 1 1 d . . .
H45A H 0.3675 0.0177 -0.5052 0.048 Uiso 1 1 calc R . .
C47 C 0.6866(3) 0.6084(4) -0.0823(3) 0.0397(15) Uani 1 1 d . . .
H47A H 0.6450 0.5854 -0.1048 0.048 Uiso 1 1 calc R . .
C48 C -0.0268(3) 0.3524(5) -0.6166(3) 0.0502(18) Uani 1 1 d . . .
H48A H -0.0446 0.3592 -0.6565 0.060 Uiso 1 1 calc R . .
C49 C 0.2044(4) 0.1112(4) -0.5855(3) 0.0455(16) Uani 1 1 d . . .
H49A H 0.1626 0.1344 -0.6075 0.055 Uiso 1 1 calc R . .
C50 C 0.5016(3) 0.4254(5) -0.0934(3) 0.0469(17) Uani 1 1 d . . .
H50A H 0.5197 0.4539 -0.1146 0.056 Uiso 1 1 calc R . .
C51 C 0.8052(4) 0.5062(6) 0.2417(3) 0.061(2) Uani 1 1 d . . .
H51A H 0.8492 0.5238 0.2629 0.074 Uiso 1 1 calc R . .
C52 C 0.8065(4) 0.6790(5) -0.0219(3) 0.0503(18) Uani 1 1 d . . .
H52A H 0.8481 0.7032 -0.0009 0.060 Uiso 1 1 calc R . .
C53 C 0.7109(4) 0.4482(6) 0.2392(3) 0.064(2) Uani 1 1 d . . .
H53A H 0.6878 0.4244 0.2583 0.077 Uiso 1 1 calc R . .
C55 C 0.7771(4) 0.5176(5) 0.1826(3) 0.055(2) Uani 1 1 d . . .
H55A H 0.8016 0.5411 0.1647 0.066 Uiso 1 1 calc R . .
C56 C 0.4435(4) 0.3819(5) -0.1211(3) 0.0526(19) Uani 1 1 d . . .
H56A H 0.4240 0.3801 -0.1613 0.063 Uiso 1 1 calc R . .
C57 C 0.2150(4) 0.2868(5) -0.3233(3) 0.057(2) Uani 1 1 d . . .
H57A H 0.1764 0.3161 -0.3452 0.069 Uiso 1 1 calc R . .
C58 C 0.3011(4) 0.1965(5) -0.3157(3) 0.057(2) Uani 1 1 d . . .
H58A H 0.3229 0.1643 -0.3321 0.068 Uiso 1 1 calc R . .
C59 C 0.3267(4) 0.2057(6) -0.2569(4) 0.070(3) Uani 1 1 d . . .
H59A H 0.3659 0.1779 -0.2344 0.083 Uiso 1 1 calc R . .
C60 C 0.2453(5) 0.2935(6) -0.2639(3) 0.064(2) Uani 1 1 d . . .
H60A H 0.2271 0.3291 -0.2464 0.076 Uiso 1 1 calc R . .
N1 N 0.2958(3) 0.0308(3) -0.5827(2) 0.0409(13) Uani 1 1 d . . .
N2 N -0.0606(3) 0.3834(4) -0.5891(3) 0.0467(14) Uani 1 1 d . . .
N3 N 0.3002(3) 0.2509(4) -0.2298(3) 0.0593(18) Uani 1 1 d . . .
N4 N 0.1480(3) 0.2110(3) -0.5283(2) 0.0384(12) Uani 1 1 d . . .
N5 N 0.1527(3) 0.2669(3) -0.4418(2) 0.0408(13) Uani 1 1 d . . .
N6 N 0.2377(3) 0.1771(3) -0.4379(2) 0.0394(13) Uani 1 1 d . . .
N7 N 0.7794(3) 0.6857(3) -0.0784(3) 0.0433(14) Uani 1 1 d . . .
N8 N 0.4134(3) 0.3420(4) -0.0932(3) 0.0472(14) Uani 1 1 d . . .
N9 N 0.7746(3) 0.4725(4) 0.2704(3) 0.0563(17) Uani 1 1 d . . .
N10 N 0.6252(3) 0.5116(3) -0.0277(2) 0.0381(12) Uani 1 1 d . . .
N11 N 0.6224(3) 0.4626(3) 0.0578(2) 0.0397(13) Uani 1 1 d . . .
N12 N 0.7104(3) 0.5492(4) 0.0637(2) 0.0434(13) Uani 1 1 d . . .
Mo1 Mo 0.5000 -0.03266(7) -0.7500 0.0621(3) Uani 1 2 d S . .
Mo2 Mo 0.49853(3) 0.09036(4) -0.63926(2) 0.03877(17) Uani 1 1 d . . .
Mo3 Mo 0.49121(3) 0.28991(4) -0.64280(3) 0.04095(18) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.40333(7) -0.7500 0.0579(3) Uani 1 2 d S . .
Mo5 Mo 0.40745(3) 0.19301(3) -0.79047(3) 0.03757(17) Uani 1 1 d . . .
O1 O 0.5634(7) -0.0939(7) -0.7072(7) 0.185(6) Uani 1 1 d . . .
O2 O 0.4659(3) 0.0164(4) -0.7056(3) 0.0657(15) Uani 1 1 d . . .
O3 O 0.4273(3) 0.0824(5) -0.6304(3) 0.0796(19) Uani 1 1 d . . .
O4 O 0.5534(3) 0.0300(5) -0.5861(3) 0.088(2) Uani 1 1 d . . .
O5 O 0.5330(3) 0.1903(4) -0.6066(2) 0.0631(15) Uani 1 1 d . . .
O6 O 0.4471(4) 0.1871(4) -0.7148(3) 0.0722(17) Uani 1 1 d . . .
O7 O 0.4241(3) 0.1056(4) -0.8225(3) 0.0769(18) Uani 1 1 d . . .
O8 O 0.3228(3) 0.1975(4) -0.8183(3) 0.0734(18) Uani 1 1 d . . .
O9 O 0.4219(3) 0.2876(5) -0.6291(3) 0.085(2) Uani 1 1 d . . .
O10 O 0.5433(3) 0.3511(5) -0.5924(3) 0.089(2) Uani 1 1 d . . .
O11 O 0.4528(3) 0.3572(4) -0.7111(3) 0.0725(17) Uani 1 1 d . . .
O12 O 0.4349(3) 0.2810(4) -0.8152(3) 0.0674(16) Uani 1 1 d . . .
O13 O 0.5587(4) 0.4632(5) -0.7013(3) 0.102(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.276(5) 3_545 ?
Ag1 N9 2.307(6) 3_444 ?
Ag1 N1 2.316(5) . ?
Ag2 N7 2.282(5) 3_445 ?
Ag2 N3 2.318(6) . ?
Ag2 N8 2.344(6) . ?
C9 N10 1.310(8) . ?
C9 N11 1.347(8) . ?
C9 C22 1.504(9) . ?
C10 N4 1.331(8) . ?
C10 N5 1.335(8) . ?
C10 C19 1.483(9) . ?
C15 C19 1.365(10) . ?
C15 C48 1.378(10) . ?
C18 N7 1.333(9) . ?
C18 C47 1.376(9) . ?
C19 C37 1.394(9) . ?
C21 C25 1.378(9) . ?
C21 C22 1.382(9) . ?
C22 C50 1.373(9) . ?
C23 C45 1.381(9) . ?
C23 C43 1.403(9) . ?
C25 N8 1.328(9) . ?
C26 N10 1.337(8) . ?
C26 N12 1.340(8) . ?
C26 C40 1.490(9) . ?
C27 N6 1.321(8) . ?
C27 N5 1.340(8) . ?
C27 C36 1.482(9) . ?
C28 C52 1.398(10) . ?
C28 C40 1.403(9) . ?
C32 N1 1.331(9) . ?
C32 C49 1.375(10) . ?
C35 C42 1.371(10) . ?
C35 C55 1.381(10) . ?
C35 C39 1.494(9) . ?
C36 C58 1.373(10) . ?
C36 C57 1.380(10) . ?
C37 C38 1.354(10) . ?
C38 N2 1.326(9) . ?
C39 N11 1.318(8) . ?
C39 N12 1.339(8) . ?
C40 C47 1.369(9) . ?
C41 N6 1.336(9) . ?
C41 N4 1.343(8) . ?
C41 C43 1.484(9) . ?
C42 C53 1.382(11) . ?
C43 C49 1.388(10) . ?
C45 N1 1.329(9) . ?
C48 N2 1.327(9) . ?
C50 C56 1.372(10) . ?
C51 N9 1.316(10) . ?
C51 C55 1.379(11) . ?
C52 N7 1.312(10) . ?
C53 N9 1.342(10) . ?
C56 N8 1.341(9) . ?
C57 C60 1.378(11) . ?
C58 C59 1.369(11) . ?
C59 N3 1.318(11) . ?
C60 N3 1.349(11) . ?
N2 Ag1 2.276(5) 3_455 ?
N7 Ag2 2.282(5) 3 ?
N9 Ag1 2.307(6) 3_556 ?
Mo1 O1 1.697(10) 2_653 ?
Mo1 O1 1.697(10) . ?
Mo1 O2 1.801(6) 2_653 ?
Mo1 O2 1.801(6) . ?
Mo2 O3 1.676(6) . ?
Mo2 O4 1.707(6) . ?
Mo2 O5 1.878(6) . ?
Mo2 O2 1.971(6) . ?
Mo2 O7 2.306(6) 2_653 ?
Mo2 O6 2.400(6) . ?
Mo3 O10 1.661(6) . ?
Mo3 O9 1.699(6) . ?
Mo3 O5 1.936(6) . ?
Mo3 O11 1.942(6) . ?
Mo3 O12 2.300(6) 2_653 ?
Mo3 O6 2.400(6) . ?
Mo4 O13 1.686(8) . ?
Mo4 O13 1.686(8) 2_653 ?
Mo4 O11 1.881(6) . ?
Mo4 O11 1.881(6) 2_653 ?
Mo5 O8 1.681(5) . ?
Mo5 O6 1.752(6) . ?
Mo5 O7 1.789(7) . ?
Mo5 O12 1.804(6) . ?
O7 Mo2 2.306(6) 2_653 ?
O12 Mo3 2.300(6) 2_653 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N9 128.9(2) 3_545 3_444 ?
N2 Ag1 N1 124.3(2) 3_545 . ?
N9 Ag1 N1 106.8(2) 3_444 . ?
N7 Ag2 N3 133.8(2) 3_445 . ?
N7 Ag2 N8 123.2(2) 3_445 . ?
N3 Ag2 N8 102.8(2) . . ?
N10 C9 N11 125.4(6) . . ?
N10 C9 C22 119.3(6) . . ?
N11 C9 C22 115.3(6) . . ?
N4 C10 N5 125.0(6) . . ?
N4 C10 C19 119.0(5) . . ?
N5 C10 C19 116.0(6) . . ?
C19 C15 C48 118.8(6) . . ?
N7 C18 C47 122.7(6) . . ?
C15 C19 C37 117.5(6) . . ?
C15 C19 C10 122.5(6) . . ?
C37 C19 C10 120.0(6) . . ?
C25 C21 C22 119.2(6) . . ?
C50 C22 C21 118.0(6) . . ?
C50 C22 C9 123.0(6) . . ?
C21 C22 C9 119.1(6) . . ?
C45 C23 C43 118.1(6) . . ?
N8 C25 C21 123.3(6) . . ?
N10 C26 N12 124.5(6) . . ?
N10 C26 C40 117.8(6) . . ?
N12 C26 C40 117.7(6) . . ?
N6 C27 N5 125.1(6) . . ?
N6 C27 C36 119.1(6) . . ?
N5 C27 C36 115.9(6) . . ?
C52 C28 C40 117.6(7) . . ?
N1 C32 C49 124.2(7) . . ?
C42 C35 C55 118.5(7) . . ?
C42 C35 C39 121.6(6) . . ?
C55 C35 C39 119.8(6) . . ?
C58 C36 C57 118.2(7) . . ?
C58 C36 C27 121.6(6) . . ?
C57 C36 C27 120.2(6) . . ?
C38 C37 C19 119.2(6) . . ?
N2 C38 C37 124.1(7) . . ?
N11 C39 N12 125.9(6) . . ?
N11 C39 C35 117.2(6) . . ?
N12 C39 C35 116.9(6) . . ?
C47 C40 C28 117.7(6) . . ?
C47 C40 C26 121.4(6) . . ?
C28 C40 C26 120.9(6) . . ?
N6 C41 N4 125.1(6) . . ?
N6 C41 C43 117.9(5) . . ?
N4 C41 C43 117.0(6) . . ?
C35 C42 C53 119.4(7) . . ?
C49 C43 C23 117.7(6) . . ?
C49 C43 C41 121.8(6) . . ?
C23 C43 C41 120.4(6) . . ?
N1 C45 C23 124.3(6) . . ?
C40 C47 C18 120.3(6) . . ?
N2 C48 C15 124.2(7) . . ?
C32 C49 C43 118.9(6) . . ?
C56 C50 C22 119.3(7) . . ?
N9 C51 C55 125.1(7) . . ?
N7 C52 C28 124.0(7) . . ?
N9 C53 C42 122.7(8) . . ?
C51 C55 C35 117.7(7) . . ?
N8 C56 C50 123.3(7) . . ?
C36 C57 C60 119.0(7) . . ?
C59 C58 C36 118.4(7) . . ?
N3 C59 C58 125.2(8) . . ?
N3 C60 C57 123.1(7) . . ?
C45 N1 C32 116.7(6) . . ?
C45 N1 Ag1 123.0(4) . . ?
C32 N1 Ag1 120.4(5) . . ?
C48 N2 C38 116.2(6) . . ?
C48 N2 Ag1 124.1(5) . 3_455 ?
C38 N2 Ag1 119.4(5) . 3_455 ?
C59 N3 C60 115.8(7) . . ?
C59 N3 Ag2 130.0(6) . . ?
C60 N3 Ag2 113.3(5) . . ?
C10 N4 C41 114.7(5) . . ?
C10 N5 C27 115.1(6) . . ?
C27 N6 C41 115.1(5) . . ?
C52 N7 C18 117.8(6) . . ?
C52 N7 Ag2 127.2(5) . 3 ?
C18 N7 Ag2 115.1(5) . 3 ?
C25 N8 C56 116.9(6) . . ?
C25 N8 Ag2 115.0(5) . . ?
C56 N8 Ag2 127.6(5) . . ?
C51 N9 C53 116.6(7) . . ?
C51 N9 Ag1 112.6(5) . 3_556 ?
C53 N9 Ag1 130.7(5) . 3_556 ?
C9 N10 C26 115.5(6) . . ?
C39 N11 C9 114.3(6) . . ?
C39 N12 C26 114.3(6) . . ?
O1 Mo1 O1 105.7(11) 2_653 . ?
O1 Mo1 O2 108.4(5) 2_653 2_653 ?
O1 Mo1 O2 103.6(4) . 2_653 ?
O1 Mo1 O2 103.6(4) 2_653 . ?
O1 Mo1 O2 108.4(5) . . ?
O2 Mo1 O2 125.8(4) 2_653 . ?
O3 Mo2 O4 103.0(3) . . ?
O3 Mo2 O5 103.4(3) . . ?
O4 Mo2 O5 99.2(3) . . ?
O3 Mo2 O2 92.9(3) . . ?
O4 Mo2 O2 100.7(3) . . ?
O5 Mo2 O2 150.6(3) . . ?
O3 Mo2 O7 164.3(3) . 2_653 ?
O4 Mo2 O7 90.4(3) . 2_653 ?
O5 Mo2 O7 82.0(3) . 2_653 ?
O2 Mo2 O7 76.5(2) . 2_653 ?
O3 Mo2 O6 91.0(3) . . ?
O4 Mo2 O6 165.5(3) . . ?
O5 Mo2 O6 73.6(2) . . ?
O2 Mo2 O6 81.9(2) . . ?
O7 Mo2 O6 76.2(2) 2_653 . ?
O10 Mo3 O9 103.5(3) . . ?
O10 Mo3 O5 97.6(4) . . ?
O9 Mo3 O5 99.5(3) . . ?
O10 Mo3 O11 103.3(4) . . ?
O9 Mo3 O11 96.7(3) . . ?
O5 Mo3 O11 149.8(2) . . ?
O10 Mo3 O12 90.8(3) . 2_653 ?
O9 Mo3 O12 164.8(3) . 2_653 ?
O5 Mo3 O12 83.3(2) . 2_653 ?
O11 Mo3 O12 74.9(2) . 2_653 ?
O10 Mo3 O6 162.8(3) . . ?
O9 Mo3 O6 92.3(3) . . ?
O5 Mo3 O6 72.7(2) . . ?
O11 Mo3 O6 81.3(2) . . ?
O12 Mo3 O6 74.2(2) 2_653 . ?
O13 Mo4 O13 107.1(6) . 2_653 ?
O13 Mo4 O11 105.8(4) . . ?
O13 Mo4 O11 102.4(3) 2_653 . ?
O13 Mo4 O11 102.4(3) . 2_653 ?
O13 Mo4 O11 105.8(4) 2_653 2_653 ?
O11 Mo4 O11 131.6(4) . 2_653 ?
O8 Mo5 O6 114.0(3) . . ?
O8 Mo5 O7 104.4(3) . . ?
O6 Mo5 O7 111.0(3) . . ?
O8 Mo5 O12 106.8(3) . . ?
O6 Mo5 O12 110.5(3) . . ?
O7 Mo5 O12 110.0(3) . . ?
Mo1 O2 Mo2 137.1(3) . . ?
Mo2 O5 Mo3 122.4(3) . . ?
Mo5 O6 Mo3 130.8(3) . . ?
Mo5 O6 Mo2 140.1(3) . . ?
Mo3 O6 Mo2 88.3(2) . . ?
Mo5 O7 Mo2 128.1(3) . 2_653 ?
Mo4 O11 Mo3 126.0(3) . . ?
Mo5 O12 Mo3 128.6(3) . 2_653 ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.857
_refine_diff_density_min         -1.010
_refine_diff_density_rms         0.142
_database_code_depnum_ccdc_archive 'CCDC 956843'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_470K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9416(8)
_cell_length_b                   16.7734(6)
_cell_length_c                   25.5513(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.225(5)
_cell_angle_gamma                90.00
_cell_volume                     8507.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    470.00(10)
_cell_measurement_reflns_used    12663
_cell_measurement_theta_min      3.3190
_cell_measurement_theta_max      28.5760

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.236
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.126
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56517
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      470.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19658
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7294
_reflns_number_gt                5822
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0852P)²+56.3145P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7294
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0509
_refine_ls_wR_factor_ref         0.1587
_refine_ls_wR_factor_gt          0.1459
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.65574(3) 0.04241(5) -0.63278(3) 0.0620(2) Uani 1 1 d . . .
Ag2 Ag -0.17856(4) 0.24466(5) -0.13319(3) 0.0711(3) Uani 1 1 d . . .
C7 C 0.0971(3) 0.0292(4) -0.0006(3) 0.0358(15) Uani 1 1 d . . .
C9 C -0.3762(3) 0.2438(4) -0.4993(3) 0.0348(15) Uani 1 1 d . . .
C15 C -0.4672(4) 0.1896(5) -0.5903(3) 0.0494(19) Uani 1 1 d . . .
H15A H -0.4457 0.2104 -0.6117 0.059 Uiso 1 1 calc R . .
C18 C -0.4401(3) 0.1995(4) -0.5319(3) 0.0386(16) Uani 1 1 d . . .
C20 C 0.0032(3) 0.1153(5) -0.0053(3) 0.0414(16) Uani 1 1 d . . .
H20A H 0.0227 0.1162 0.0350 0.050 Uiso 1 1 calc R . .
C21 C 0.1812(3) -0.0522(4) 0.0055(3) 0.0365(15) Uani 1 1 d . . .
C22 C 0.2200(4) -0.1514(5) -0.1086(3) 0.0441(17) Uani 1 1 d . . .
H22A H 0.2004 -0.1555 -0.1487 0.053 Uiso 1 1 calc R . .
C23 C -0.2024(3) 0.4165(4) -0.4956(3) 0.0430(17) Uani 1 1 d . . .
H23A H -0.1805 0.4132 -0.4555 0.052 Uiso 1 1 calc R . .
C24 C 0.0329(3) 0.0735(4) -0.0348(3) 0.0357(15) Uani 1 1 d . . .
C25 C -0.0563(4) 0.1557(5) -0.0367(3) 0.0467(18) Uani 1 1 d . . .
H25A H -0.0760 0.1836 -0.0164 0.056 Uiso 1 1 calc R . .
C27 C -0.2906(3) 0.2746(4) -0.4140(3) 0.0377(15) Uani 1 1 d . . .
C28 C 0.2763(4) -0.1380(5) 0.0083(3) 0.0486(18) Uani 1 1 d . . .
H28A H 0.2968 -0.1347 0.0485 0.058 Uiso 1 1 calc R . .
C29 C -0.2642(4) 0.4349(5) -0.6121(3) 0.0494(19) Uani 1 1 d . . .
H29A H -0.2858 0.4417 -0.6519 0.059 Uiso 1 1 calc R . .
C32 C -0.2576(4) 0.2637(5) -0.3503(3) 0.0425(17) Uani 1 1 d . . .
C34 C 0.1783(4) 0.0435(6) 0.1793(4) 0.061(2) Uani 1 1 d . . .
H34A H 0.1342 0.0612 0.1591 0.073 Uiso 1 1 calc R . .
C36 C -0.4748(4) 0.1657(5) -0.5024(3) 0.050(2) Uani 1 1 d . . .
H36A H -0.4581 0.1703 -0.4625 0.060 Uiso 1 1 calc R . .
C37 C 0.2139(3) -0.1014(4) -0.0241(3) 0.0382(16) Uani 1 1 d . . .
C38 C 0.2116(4) 0.0080(5) 0.1506(3) 0.0452(18) Uani 1 1 d . . .
C39 C 0.1794(3) -0.0015(4) 0.0865(3) 0.0403(16) Uani 1 1 d . . .
C41 C -0.2958(4) 0.3896(5) -0.5858(3) 0.0465(18) Uani 1 1 d . . .
H41A H -0.3378 0.3670 -0.6078 0.056 Uiso 1 1 calc R . .
C43 C -0.2950(3) 0.3279(4) -0.4964(3) 0.0371(16) Uani 1 1 d . . .
C44 C -0.2646(4) 0.3782(4) -0.5268(3) 0.0406(16) Uani 1 1 d . . .
C45 C -0.5328(4) 0.1263(6) -0.5330(4) 0.057(2) Uani 1 1 d . . .
H45A H -0.5547 0.1035 -0.5125 0.068 Uiso 1 1 calc R . .
C46 C 0.3067(4) -0.1795(5) -0.0216(4) 0.054(2) Uani 1 1 d . . .
H46A H 0.3482 -0.2036 -0.0003 0.064 Uiso 1 1 calc R . .
C47 C -0.1751(4) 0.4590(5) -0.5267(3) 0.0453(18) Uani 1 1 d . . .
H47A H -0.1330 0.4820 -0.5062 0.054 Uiso 1 1 calc R . .
C48 C 0.1860(3) -0.1091(5) -0.0826(3) 0.0430(17) Uani 1 1 d . . .
H48A H 0.1444 -0.0861 -0.1050 0.052 Uiso 1 1 calc R . .
C49 C 0.0012(4) 0.0739(5) -0.0939(3) 0.0505(19) Uani 1 1 d . . .
H49A H 0.0188 0.0446 -0.1151 0.061 Uiso 1 1 calc R . .
C50 C -0.5273(4) 0.1482(6) -0.6175(3) 0.054(2) Uani 1 1 d . . .
H50A H -0.5450 0.1416 -0.6574 0.065 Uiso 1 1 calc R . .
C51 C 0.2110(4) 0.0526(7) 0.2387(4) 0.067(3) Uani 1 1 d . . .
H51A H 0.1879 0.0766 0.2578 0.081 Uiso 1 1 calc R . .
C53 C 0.3050(4) -0.0057(6) 0.2411(4) 0.064(2) Uani 1 1 d . . .
H53A H 0.3489 -0.0236 0.2623 0.077 Uiso 1 1 calc R . .
C54 C -0.0564(4) 0.1172(6) -0.1219(3) 0.057(2) Uani 1 1 d . . .
H54A H -0.0754 0.1192 -0.1621 0.068 Uiso 1 1 calc R . .
C56 C 0.2772(4) -0.0169(5) 0.1821(4) 0.057(2) Uani 1 1 d . . .
H56A H 0.3017 -0.0403 0.1641 0.068 Uiso 1 1 calc R . .
C57 C -0.1735(5) 0.2932(7) -0.2577(4) 0.072(3) Uani 1 1 d . . .
H57A H -0.1347 0.3216 -0.2352 0.087 Uiso 1 1 calc R . .
C58 C -0.2549(5) 0.2056(6) -0.2645(4) 0.068(3) Uani 1 1 d . . .
H58A H -0.2728 0.1697 -0.2471 0.081 Uiso 1 1 calc R . .
C59 C -0.1986(4) 0.3022(6) -0.3165(4) 0.061(2) Uani 1 1 d . . .
H59A H -0.1764 0.3335 -0.3330 0.073 Uiso 1 1 calc R . .
C60 C -0.2856(5) 0.2134(6) -0.3233(4) 0.061(2) Uani 1 1 d . . .
H60A H -0.3248 0.1853 -0.3451 0.073 Uiso 1 1 calc R . .
N1 N -0.5607(3) 0.1177(4) -0.5897(3) 0.0505(16) Uani 1 1 d . . .
N2 N -0.2044(3) 0.4694(4) -0.5833(3) 0.0460(15) Uani 1 1 d . . .
N3 N -0.1997(4) 0.2475(5) -0.2304(3) 0.0616(19) Uani 1 1 d . . .
N4 N -0.3518(3) 0.2893(4) -0.5288(3) 0.0421(14) Uani 1 1 d . . .
N5 N -0.2624(3) 0.3228(4) -0.4384(3) 0.0423(14) Uani 1 1 d . . .
N6 N -0.3477(3) 0.2340(4) -0.4423(3) 0.0447(15) Uani 1 1 d . . .
N7 N -0.0869(3) 0.1568(4) -0.0943(3) 0.0501(16) Uani 1 1 d . . .
N8 N 0.2797(3) -0.1866(4) -0.0787(3) 0.0470(15) Uani 1 1 d . . .
N9 N 0.2745(4) 0.0282(5) 0.2700(3) 0.0605(19) Uani 1 1 d . . .
N10 N 0.1251(3) -0.0122(4) -0.0280(3) 0.0389(13) Uani 1 1 d . . .
N11 N 0.2103(3) -0.0488(4) 0.0631(3) 0.0449(15) Uani 1 1 d . . .
N12 N 0.1225(3) 0.0378(4) 0.0569(3) 0.0431(14) Uani 1 1 d . . .
Mo1 Mo -0.5000 0.03218(7) -0.7500 0.0644(3) Uani 1 2 d S . .
Mo2 Mo -0.50144(3) -0.09041(4) -0.63911(3) 0.04120(19) Uani 1 1 d . . .
Mo3 Mo -0.50815(3) -0.28975(4) -0.64243(3) 0.04347(19) Uani 1 1 d . . .
Mo4 Mo -0.5000 -0.40459(8) -0.7500 0.0620(3) Uani 1 2 d S . .
Mo5 Mo -0.59257(3) -0.19270(4) -0.79014(3) 0.04017(19) Uani 1 1 d . . .
O1 O -0.4365(8) 0.0935(8) -0.7085(8) 0.208(8) Uani 1 1 d . . .
O2 O -0.5340(4) -0.0163(4) -0.7054(3) 0.0741(18) Uani 1 1 d . . .
O3 O -0.4466(4) -0.0311(5) -0.5858(3) 0.099(3) Uani 1 1 d . . .
O4 O -0.5721(4) -0.0811(5) -0.6302(3) 0.089(2) Uani 1 1 d . . .
O5 O -0.4671(3) -0.1897(4) -0.6063(3) 0.0709(18) Uani 1 1 d . . .
O6 O -0.5527(4) -0.1868(4) -0.7145(3) 0.079(2) Uani 1 1 d . . .
O7 O -0.5761(4) -0.1049(4) -0.8228(3) 0.084(2) Uani 1 1 d . . .
O8 O -0.6767(3) -0.1964(4) -0.8181(4) 0.080(2) Uani 1 1 d . . .
O9 O -0.4559(4) -0.3490(6) -0.5913(4) 0.106(3) Uani 1 1 d . . .
O10 O -0.5776(4) -0.2879(6) -0.6289(4) 0.096(2) Uani 1 1 d . . .
O11 O -0.5465(4) -0.3566(5) -0.7108(3) 0.083(2) Uani 1 1 d . . .
O12 O -0.5657(3) -0.2802(4) -0.8159(3) 0.0736(18) Uani 1 1 d . . .
O13 O -0.4414(5) -0.4638(6) -0.7019(4) 0.116(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.280(6) . ?
Ag1 N9 2.308(7) 1_454 ?
Ag1 N2 2.322(6) 3_445 ?
Ag2 N8 2.279(6) 3_455 ?
Ag2 N3 2.326(7) . ?
Ag2 N7 2.345(6) . ?
C7 N10 1.310(9) . ?
C7 N12 1.339(9) . ?
C7 C24 1.501(9) . ?
C9 N6 1.327(9) . ?
C9 N4 1.335(9) . ?
C9 C18 1.489(10) . ?
C15 C18 1.362(11) . ?
C15 C50 1.385(11) . ?
C18 C36 1.397(10) . ?
C20 C24 1.380(10) . ?
C20 C25 1.384(10) . ?
C21 N11 1.332(9) . ?
C21 N10 1.340(9) . ?
C21 C37 1.496(10) . ?
C22 N8 1.340(10) . ?
C22 C48 1.387(10) . ?
C23 C47 1.379(10) . ?
C23 C44 1.409(10) . ?
C24 C49 1.367(10) . ?
C25 N7 1.333(10) . ?
C27 N5 1.325(9) . ?
C27 N6 1.335(9) . ?
C27 C32 1.485(10) . ?
C28 C46 1.397(11) . ?
C28 C37 1.404(10) . ?
C29 N2 1.333(10) . ?
C29 C41 1.379(11) . ?
C32 C59 1.373(11) . ?
C32 C60 1.388(11) . ?
C34 C38 1.373(11) . ?
C34 C51 1.384(11) . ?
C36 C45 1.348(11) . ?
C37 C48 1.357(10) . ?
C38 C56 1.380(11) . ?
C38 C39 1.491(10) . ?
C39 N12 1.326(9) . ?
C39 N11 1.338(9) . ?
C41 C44 1.378(11) . ?
C43 N4 1.333(9) . ?
C43 N5 1.345(10) . ?
C43 C44 1.485(10) . ?
C45 N1 1.320(10) . ?
C46 N8 1.325(10) . ?
C47 N2 1.320(10) . ?
C49 C54 1.366(11) . ?
C50 N1 1.321(10) . ?
C51 N9 1.342(11) . ?
C53 N9 1.318(11) . ?
C53 C56 1.377(12) . ?
C54 N7 1.337(10) . ?
C57 N3 1.323(12) . ?
C57 C59 1.369(12) . ?
C58 N3 1.349(12) . ?
C58 C60 1.367(12) . ?
N2 Ag1 2.322(6) 3 ?
N8 Ag2 2.279(6) 3_545 ?
N9 Ag1 2.308(7) 1_656 ?
Mo1 O1 1.692(12) . ?
Mo1 O1 1.692(11) 2_453 ?
Mo1 O2 1.800(7) . ?
Mo1 O2 1.800(7) 2_453 ?
Mo2 O4 1.667(7) . ?
Mo2 O3 1.702(7) . ?
Mo2 O5 1.872(7) . ?
Mo2 O2 1.973(7) . ?
Mo2 O7 2.304(7) 2_453 ?
Mo2 O6 2.395(7) . ?
Mo3 O9 1.653(7) . ?
Mo3 O10 1.699(7) . ?
Mo3 O5 1.942(7) . ?
Mo3 O11 1.940(8) . ?
Mo3 O12 2.293(6) 2_453 ?
Mo3 O6 2.407(7) . ?
Mo4 O13 1.674(9) 2_453 ?
Mo4 O13 1.674(9) . ?
Mo4 O11 1.889(8) 2_453 ?
Mo4 O11 1.889(8) . ?
Mo5 O8 1.672(6) . ?
Mo5 O6 1.753(7) . ?
Mo5 O7 1.804(8) . ?
Mo5 O12 1.806(7) . ?
O7 Mo2 2.304(7) 2_453 ?
O12 Mo3 2.293(6) 2_453 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 128.8(3) . 1_454 ?
N1 Ag1 N2 124.6(2) . 3_445 ?
N9 Ag1 N2 106.5(3) 1_454 3_445 ?
N8 Ag2 N3 133.9(3) 3_455 . ?
N8 Ag2 N7 123.7(2) 3_455 . ?
N3 Ag2 N7 102.1(3) . . ?
N10 C7 N12 125.0(6) . . ?
N10 C7 C24 119.3(6) . . ?
N12 C7 C24 115.7(6) . . ?
N6 C9 N4 125.2(6) . . ?
N6 C9 C18 116.3(6) . . ?
N4 C9 C18 118.6(6) . . ?
C18 C15 C50 119.2(7) . . ?
C15 C18 C36 117.2(7) . . ?
C15 C18 C9 122.7(6) . . ?
C36 C18 C9 120.1(6) . . ?
C24 C20 C25 118.7(7) . . ?
N11 C21 N10 124.2(6) . . ?
N11 C21 C37 118.3(6) . . ?
N10 C21 C37 117.4(6) . . ?
N8 C22 C48 123.2(7) . . ?
C47 C23 C44 117.6(7) . . ?
C49 C24 C20 117.6(7) . . ?
C49 C24 C7 123.7(6) . . ?
C20 C24 C7 118.6(6) . . ?
N7 C25 C20 123.7(7) . . ?
N5 C27 N6 125.1(6) . . ?
N5 C27 C32 118.9(6) . . ?
N6 C27 C32 116.0(6) . . ?
C46 C28 C37 117.9(7) . . ?
N2 C29 C41 123.5(7) . . ?
C59 C32 C60 118.2(7) . . ?
C59 C32 C27 121.4(7) . . ?
C60 C32 C27 120.4(7) . . ?
C38 C34 C51 119.3(8) . . ?
C45 C36 C18 118.9(7) . . ?
C48 C37 C28 118.5(7) . . ?
C48 C37 C21 121.4(6) . . ?
C28 C37 C21 120.0(6) . . ?
C34 C38 C56 118.6(7) . . ?
C34 C38 C39 121.6(7) . . ?
C56 C38 C39 119.7(7) . . ?
N12 C39 N11 125.0(6) . . ?
N12 C39 C38 117.5(6) . . ?
N11 C39 C38 117.5(6) . . ?
C29 C41 C44 119.3(7) . . ?
N4 C43 N5 124.9(6) . . ?
N4 C43 C44 117.4(7) . . ?
N5 C43 C44 117.7(6) . . ?
C41 C44 C23 117.8(7) . . ?
C41 C44 C43 121.8(7) . . ?
C23 C44 C43 120.4(7) . . ?
N1 C45 C36 124.8(7) . . ?
N8 C46 C28 123.6(7) . . ?
N2 C47 C23 124.8(7) . . ?
C37 C48 C22 119.5(7) . . ?
C54 C49 C24 120.2(7) . . ?
N1 C50 C15 123.5(7) . . ?
N9 C51 C34 122.7(8) . . ?
N9 C53 C56 125.3(8) . . ?
N7 C54 C49 123.2(7) . . ?
C38 C56 C53 117.6(8) . . ?
N3 C57 C59 125.5(8) . . ?
N3 C58 C60 123.1(9) . . ?
C32 C59 C57 117.9(8) . . ?
C58 C60 C32 119.3(8) . . ?
C45 N1 C50 116.3(6) . . ?
C45 N1 Ag1 119.4(5) . . ?
C50 N1 Ag1 123.9(5) . . ?
C47 N2 C29 116.9(7) . . ?
C47 N2 Ag1 123.0(5) . 3 ?
C29 N2 Ag1 120.1(5) . 3 ?
C57 N3 C58 115.8(7) . . ?
C57 N3 Ag2 129.9(6) . . ?
C58 N3 Ag2 113.2(6) . . ?
C9 N4 C43 114.8(6) . . ?
C27 N5 C43 114.9(6) . . ?
C9 N6 C27 115.2(6) . . ?
C25 N7 C54 116.5(6) . . ?
C25 N7 Ag2 114.5(5) . . ?
C54 N7 Ag2 128.3(5) . . ?
C46 N8 C22 117.3(6) . . ?
C46 N8 Ag2 127.6(5) . 3_545 ?
C22 N8 Ag2 115.1(5) . 3_545 ?
C53 N9 C51 116.4(7) . . ?
C53 N9 Ag1 112.7(5) . 1_656 ?
C51 N9 Ag1 130.8(6) . 1_656 ?
C7 N10 C21 115.8(6) . . ?
C21 N11 C39 115.0(6) . . ?
C39 N12 C7 114.9(6) . . ?
O1 Mo1 O1 105.1(12) . 2_453 ?
O1 Mo1 O2 109.3(6) . . ?
O1 Mo1 O2 102.6(5) 2_453 . ?
O1 Mo1 O2 102.6(5) . 2_453 ?
O1 Mo1 O2 109.3(6) 2_453 2_453 ?
O2 Mo1 O2 126.3(4) . 2_453 ?
O4 Mo2 O3 102.6(4) . . ?
O4 Mo2 O5 104.1(4) . . ?
O3 Mo2 O5 98.6(4) . . ?
O4 Mo2 O2 92.3(3) . . ?
O3 Mo2 O2 101.1(4) . . ?
O5 Mo2 O2 150.9(3) . . ?
O4 Mo2 O7 164.6(3) . 2_453 ?
O3 Mo2 O7 90.2(3) . 2_453 ?
O5 Mo2 O7 82.3(3) . 2_453 ?
O2 Mo2 O7 76.5(3) . 2_453 ?
O4 Mo2 O6 91.6(4) . . ?
O3 Mo2 O6 165.3(4) . . ?
O5 Mo2 O6 73.8(3) . . ?
O2 Mo2 O6 82.0(3) . . ?
O7 Mo2 O6 76.6(3) 2_453 . ?
O9 Mo3 O10 103.4(4) . . ?
O9 Mo3 O5 96.8(4) . . ?
O10 Mo3 O5 99.3(4) . . ?
O9 Mo3 O11 104.7(4) . . ?
O10 Mo3 O11 96.4(4) . . ?
O5 Mo3 O11 149.6(3) . . ?
O9 Mo3 O12 91.1(3) . 2_453 ?
O10 Mo3 O12 164.8(4) . 2_453 ?
O5 Mo3 O12 83.3(3) . 2_453 ?
O11 Mo3 O12 75.1(3) . 2_453 ?
O9 Mo3 O6 162.6(4) . . ?
O10 Mo3 O6 92.0(4) . . ?
O5 Mo3 O6 72.4(3) . . ?
O11 Mo3 O6 81.2(3) . . ?
O12 Mo3 O6 74.4(3) 2_453 . ?
O13 Mo4 O13 107.3(7) 2_453 . ?
O13 Mo4 O11 106.4(4) 2_453 2_453 ?
O13 Mo4 O11 102.9(4) . 2_453 ?
O13 Mo4 O11 102.9(4) 2_453 . ?
O13 Mo4 O11 106.4(4) . . ?
O11 Mo4 O11 129.5(4) 2_453 . ?
O8 Mo5 O6 114.5(4) . . ?
O8 Mo5 O7 103.6(4) . . ?
O6 Mo5 O7 111.1(4) . . ?
O8 Mo5 O12 106.6(3) . . ?
O6 Mo5 O12 111.1(3) . . ?
O7 Mo5 O12 109.5(3) . . ?
Mo1 O2 Mo2 137.1(4) . . ?
Mo2 O5 Mo3 122.6(4) . . ?
Mo5 O6 Mo2 140.1(4) . . ?
Mo5 O6 Mo3 130.7(3) . . ?
Mo2 O6 Mo3 88.3(2) . . ?
Mo5 O7 Mo2 127.7(3) . 2_453 ?
Mo4 O11 Mo3 126.8(4) . . ?
Mo5 O12 Mo3 129.1(3) . 2_453 ?

_diffrn_measured_fraction_theta_max 0.971
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.971
_refine_diff_density_max         2.012
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.147
_database_code_depnum_ccdc_archive 'CCDC 956844'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_500K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9368(7)
_cell_length_b                   16.8155(5)
_cell_length_c                   25.4998(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.121(4)
_cell_angle_gamma                90.00
_cell_volume                     8516.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    500.00(10)
_cell_measurement_reflns_used    8108
_cell_measurement_theta_min      3.1830
_cell_measurement_theta_max      27.7780

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.61242
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      500.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19737
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7297
_reflns_number_gt                5702
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0924P)²+65.3736P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7297
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0548
_refine_ls_wR_factor_ref         0.1740
_refine_ls_wR_factor_gt          0.1585
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.65577(4) 0.45643(5) 0.63345(3) 0.0676(3) Uani 1 1 d . . .
Ag2 Ag 0.67883(4) 0.75699(6) 0.13374(3) 0.0775(3) Uani 1 1 d . . .
C8 C 0.4026(3) 0.9716(4) 0.0017(3) 0.0381(16) Uani 1 1 d . . .
C9 C 0.9678(4) 0.8092(6) 0.5914(4) 0.053(2) Uani 1 1 d . . .
H9A H 0.9465 0.7879 0.6129 0.064 Uiso 1 1 calc R . .
C13 C 0.8771(4) 0.7557(4) 0.5005(3) 0.0384(16) Uani 1 1 d . . .
C14 C 0.9404(4) 0.7995(5) 0.5327(3) 0.0414(17) Uani 1 1 d . . .
C17 C 0.7023(4) 0.5834(5) 0.4963(4) 0.0469(19) Uani 1 1 d . . .
H17A H 0.6803 0.5871 0.4561 0.056 Uiso 1 1 calc R . .
C18 C 0.5560(4) 0.8453(5) 0.0373(4) 0.0477(19) Uani 1 1 d . . .
H18A H 0.5757 0.8176 0.0170 0.057 Uiso 1 1 calc R . .
C19 C 0.4967(4) 0.8848(5) 0.0061(3) 0.0477(19) Uani 1 1 d . . .
H19A H 0.4767 0.8829 -0.0342 0.057 Uiso 1 1 calc R . .
C20 C 0.3195(4) 1.0523(5) -0.0042(3) 0.0420(17) Uani 1 1 d . . .
C22 C 0.4673(3) 0.9275(4) 0.0356(3) 0.0385(16) Uani 1 1 d . . .
C23 C 0.2799(4) 1.1522(5) 0.1094(4) 0.0489(19) Uani 1 1 d . . .
H23A H 0.2995 1.1565 0.1495 0.059 Uiso 1 1 calc R . .
C25 C 0.2237(4) 1.1390(5) -0.0081(4) 0.053(2) Uani 1 1 d . . .
H25A H 0.2034 1.1361 -0.0483 0.063 Uiso 1 1 calc R . .
C29 C 0.7903(4) 0.7253(5) 0.4145(3) 0.0418(17) Uani 1 1 d . . .
C30 C 0.7577(4) 0.7366(5) 0.3510(3) 0.0461(18) Uani 1 1 d . . .
C32 C 0.7645(4) 0.5643(5) 0.6128(4) 0.053(2) Uani 1 1 d . . .
H32A H 0.7858 0.5576 0.6527 0.063 Uiso 1 1 calc R . .
C34 C 0.2881(4) 0.9914(5) -0.1500(3) 0.0491(19) Uani 1 1 d . . .
C35 C 0.7650(4) 0.6210(5) 0.5277(3) 0.0434(17) Uani 1 1 d . . .
C36 C 0.2863(4) 1.1013(4) 0.0250(3) 0.0411(17) Uani 1 1 d . . .
C37 C 0.9748(4) 0.8340(6) 0.5027(4) 0.055(2) Uani 1 1 d . . .
H37A H 0.9578 0.8302 0.4626 0.067 Uiso 1 1 calc R . .
C38 C 0.7962(4) 0.6094(5) 0.5866(4) 0.051(2) Uani 1 1 d . . .
H38A H 0.8382 0.6318 0.6085 0.061 Uiso 1 1 calc R . .
C39 C 0.3216(5) 0.9556(7) -0.1782(4) 0.066(3) Uani 1 1 d . . .
H39A H 0.3654 0.9374 -0.1578 0.079 Uiso 1 1 calc R . .
C40 C 0.3202(4) 1.0016(5) -0.0861(3) 0.0430(18) Uani 1 1 d . . .
C41 C 0.7949(4) 0.6715(4) 0.4970(3) 0.0409(17) Uani 1 1 d . . .
C42 C 0.6752(4) 0.5410(5) 0.5274(4) 0.050(2) Uani 1 1 d . . .
H42A H 0.6328 0.5187 0.5071 0.060 Uiso 1 1 calc R . .
C43 C 0.1939(4) 1.1808(6) 0.0224(4) 0.057(2) Uani 1 1 d . . .
H43A H 0.1527 1.2055 0.0013 0.068 Uiso 1 1 calc R . .
C45 C 0.3138(4) 1.1095(5) 0.0833(3) 0.0453(18) Uani 1 1 d . . .
H45A H 0.3554 1.0866 0.1058 0.054 Uiso 1 1 calc R . .
C46 C 1.0329(5) 0.8727(6) 0.5334(4) 0.061(2) Uani 1 1 d . . .
H46A H 1.0551 0.8948 0.5129 0.073 Uiso 1 1 calc R . .
C48 C 0.4989(4) 0.9276(6) 0.0952(4) 0.056(2) Uani 1 1 d . . .
H48A H 0.4811 0.9562 0.1166 0.067 Uiso 1 1 calc R . .
C49 C 1.0275(4) 0.8512(6) 0.6185(4) 0.059(2) Uani 1 1 d . . .
H49A H 1.0451 0.8582 0.6584 0.071 Uiso 1 1 calc R . .
C50 C 0.2887(5) 0.9470(7) -0.2381(4) 0.069(3) Uani 1 1 d . . .
H50 H 0.3121 0.9240 -0.2572 0.083 Uiso 1 1 calc R . .
C52 C 0.1951(5) 1.0050(7) -0.2406(4) 0.071(3) Uani 1 1 d . . .
H52A H 0.1514 1.0233 -0.2619 0.086 Uiso 1 1 calc R . .
C54 C 0.7555(6) 0.7942(7) 0.2656(4) 0.076(3) Uani 1 1 d . . .
H54A H 0.7739 0.8296 0.2483 0.091 Uiso 1 1 calc R . .
C55 C 0.2229(4) 1.0169(6) -0.1810(4) 0.061(2) Uani 1 1 d . . .
H55A H 0.1986 1.0408 -0.1629 0.073 Uiso 1 1 calc R . .
C56 C 0.5564(4) 0.8851(6) 0.1221(4) 0.060(2) Uani 1 1 d . . .
H56A H 0.5762 0.8844 0.1623 0.072 Uiso 1 1 calc R . .
C57 C 0.7864(5) 0.7855(7) 0.3241(4) 0.065(3) Uani 1 1 d . . .
H57A H 0.8263 0.8122 0.3458 0.079 Uiso 1 1 calc R . .
C58 C 0.6975(5) 0.6992(6) 0.3170(4) 0.066(3) Uani 1 1 d . . .
H58A H 0.6748 0.6685 0.3333 0.080 Uiso 1 1 calc R . .
C60 C 0.6729(5) 0.7092(8) 0.2583(4) 0.079(3) Uani 1 1 d . . .
H60A H 0.6337 0.6819 0.2355 0.095 Uiso 1 1 calc R . .
N1 N 0.7046(3) 0.5297(4) 0.5837(3) 0.0520(17) Uani 1 1 d . . .
N2 N 1.0608(3) 0.8817(5) 0.5903(3) 0.0538(18) Uani 1 1 d . . .
N3 N 0.6997(4) 0.7541(6) 0.2315(3) 0.067(2) Uani 1 1 d . . .
N4 N 0.7630(3) 0.6771(4) 0.4397(3) 0.0475(16) Uani 1 1 d . . .
N5 N 0.8524(3) 0.7099(4) 0.5298(3) 0.0450(15) Uani 1 1 d . . .
N6 N 0.8479(3) 0.7655(4) 0.4432(3) 0.0477(16) Uani 1 1 d . . .
N7 N 0.5867(3) 0.8441(5) 0.0947(3) 0.0545(18) Uani 1 1 d . . .
N8 N 0.2207(3) 1.1872(4) 0.0795(3) 0.0493(17) Uani 1 1 d . . .
N9 N 0.2255(4) 0.9700(5) -0.2693(3) 0.064(2) Uani 1 1 d . . .
N10 N 0.3774(3) 0.9623(4) -0.0563(3) 0.0463(16) Uani 1 1 d . . .
N11 N 0.3752(3) 1.0130(4) 0.0291(3) 0.0434(15) Uani 1 1 d . . .
N12 N 0.2900(3) 1.0493(4) -0.0622(3) 0.0487(16) Uani 1 1 d . . .
Mo1 Mo 0.5000 0.46821(8) 0.7500 0.0676(4) Uani 1 2 d S . .
Mo2 Mo 0.50144(3) 0.59035(4) 0.63887(3) 0.0448(2) Uani 1 1 d . . .
Mo3 Mo 0.50749(4) 0.78948(5) 0.64203(3) 0.0468(2) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.90598(9) 0.7500 0.0663(4) Uani 1 2 d S . .
Mo5 Mo 0.59256(3) 0.69221(4) 0.78973(3) 0.0441(2) Uani 1 1 d . . .
O1 O 0.4366(8) 0.4066(8) 0.7104(9) 0.222(9) Uani 1 1 d . . .
O2 O 0.5339(4) 0.5156(5) 0.7051(3) 0.085(2) Uani 1 1 d . . .
O3 O 0.4468(4) 0.5319(7) 0.5853(4) 0.115(3) Uani 1 1 d . . .
O4 O 0.5717(4) 0.5804(6) 0.6298(4) 0.102(3) Uani 1 1 d . . .
O5 O 0.4667(4) 0.6892(5) 0.6062(3) 0.079(2) Uani 1 1 d . . .
O6 O 0.5524(5) 0.6869(5) 0.7145(3) 0.091(2) Uani 1 1 d . . .
O7 O 0.5763(4) 0.6040(5) 0.8230(4) 0.095(3) Uani 1 1 d . . .
O8 O 0.6763(3) 0.6955(5) 0.8179(4) 0.084(2) Uani 1 1 d . . .
O9 O 0.5772(5) 0.7893(7) 0.6289(4) 0.110(3) Uani 1 1 d . . .
O10 O 0.4543(5) 0.8462(7) 0.5900(4) 0.126(4) Uani 1 1 d . . .
O11 O 0.5457(4) 0.8576(5) 0.7105(4) 0.095(3) Uani 1 1 d . . .
O12 O 0.5664(4) 0.7795(5) 0.8169(4) 0.085(2) Uani 1 1 d . . .
O13 O 0.4408(6) 0.9643(7) 0.7031(5) 0.138(4) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.277(6) 3_445 ?
Ag1 N9 2.306(7) 3_546 ?
Ag1 N1 2.329(7) . ?
Ag2 N8 2.283(7) 3_545 ?
Ag2 N3 2.337(8) . ?
Ag2 N7 2.348(7) . ?
C8 N11 1.300(10) . ?
C8 N10 1.349(10) . ?
C8 C22 1.508(10) . ?
C9 C14 1.365(11) . ?
C9 C49 1.388(12) . ?
C13 N6 1.334(10) . ?
C13 N5 1.338(10) . ?
C13 C14 1.476(11) . ?
C14 C37 1.407(11) . ?
C17 C42 1.377(11) . ?
C17 C35 1.412(11) . ?
C18 N7 1.326(11) . ?
C18 C19 1.374(11) . ?
C19 C22 1.383(11) . ?
C20 N11 1.330(10) . ?
C20 N12 1.341(10) . ?
C20 C36 1.491(11) . ?
C22 C48 1.375(11) . ?
C23 N8 1.333(11) . ?
C23 C45 1.390(11) . ?
C25 C43 1.399(12) . ?
C25 C36 1.420(11) . ?
C29 N4 1.325(10) . ?
C29 N6 1.342(10) . ?
C29 C30 1.478(11) . ?
C30 C57 1.382(12) . ?
C30 C58 1.385(12) . ?
C32 N1 1.336(11) . ?
C32 C38 1.379(12) . ?
C34 C39 1.368(12) . ?
C34 C55 1.376(12) . ?
C34 C40 1.487(11) . ?
C35 C38 1.376(11) . ?
C35 C41 1.484(11) . ?
C36 C45 1.353(11) . ?
C37 C46 1.346(12) . ?
C39 C50 1.391(13) . ?
C40 N10 1.334(10) . ?
C40 N12 1.339(10) . ?
C41 N4 1.329(10) . ?
C41 N5 1.345(10) . ?
C42 N1 1.314(11) . ?
C43 N8 1.323(11) . ?
C46 N2 1.324(11) . ?
C48 C56 1.354(12) . ?
C49 N2 1.326(11) . ?
C50 N9 1.330(12) . ?
C52 N9 1.321(13) . ?
C52 C55 1.390(13) . ?
C54 N3 1.342(13) . ?
C54 C57 1.360(13) . ?
C56 N7 1.342(11) . ?
C58 C60 1.367(14) . ?
C60 N3 1.313(13) . ?
N2 Ag1 2.277(6) 3 ?
N8 Ag2 2.283(7) 3_455 ?
N9 Ag1 2.306(7) 3_454 ?
Mo1 O1 1.684(13) . ?
Mo1 O1 1.684(13) 2_656 ?
Mo1 O2 1.795(8) . ?
Mo1 O2 1.795(8) 2_656 ?
Mo2 O4 1.661(8) . ?
Mo2 O3 1.696(8) . ?
Mo2 O5 1.871(8) . ?
Mo2 O2 1.980(8) . ?
Mo2 O7 2.305(8) 2_656 ?
Mo2 O6 2.404(8) . ?
Mo3 O10 1.648(8) . ?
Mo3 O9 1.697(9) . ?
Mo3 O5 1.945(8) . ?
Mo3 O11 1.954(8) . ?
Mo3 O12 2.280(7) 2_656 ?
Mo3 O6 2.412(8) . ?
Mo4 O13 1.661(11) . ?
Mo4 O13 1.661(11) 2_656 ?
Mo4 O11 1.882(9) 2_656 ?
Mo4 O11 1.882(9) . ?
Mo5 O8 1.666(6) . ?
Mo5 O6 1.739(8) . ?
Mo5 O12 1.817(8) . ?
Mo5 O7 1.818(9) . ?
O7 Mo2 2.305(8) 2_656 ?
O12 Mo3 2.280(7) 2_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N9 128.8(3) 3_445 3_546 ?
N2 Ag1 N1 124.5(3) 3_445 . ?
N9 Ag1 N1 106.6(3) 3_546 . ?
N8 Ag2 N3 133.5(3) 3_545 . ?
N8 Ag2 N7 124.0(3) 3_545 . ?
N3 Ag2 N7 102.1(3) . . ?
N11 C8 N10 125.7(7) . . ?
N11 C8 C22 119.5(7) . . ?
N10 C8 C22 114.8(6) . . ?
C14 C9 C49 119.3(8) . . ?
N6 C13 N5 124.2(7) . . ?
N6 C13 C14 116.6(7) . . ?
N5 C13 C14 119.1(7) . . ?
C9 C14 C37 117.4(7) . . ?
C9 C14 C13 122.7(7) . . ?
C37 C14 C13 119.9(7) . . ?
C42 C17 C35 117.4(8) . . ?
N7 C18 C19 124.1(8) . . ?
C18 C19 C22 118.7(7) . . ?
N11 C20 N12 124.5(7) . . ?
N11 C20 C36 117.9(7) . . ?
N12 C20 C36 117.6(7) . . ?
C19 C22 C48 118.0(7) . . ?
C19 C22 C8 119.1(7) . . ?
C48 C22 C8 123.0(7) . . ?
N8 C23 C45 123.0(8) . . ?
C43 C25 C36 117.2(8) . . ?
N4 C29 N6 124.0(7) . . ?
N4 C29 C30 120.1(7) . . ?
N6 C29 C30 115.9(7) . . ?
C57 C30 C58 118.2(8) . . ?
C57 C30 C29 120.7(7) . . ?
C58 C30 C29 121.2(8) . . ?
N1 C32 C38 123.4(8) . . ?
C39 C34 C55 119.7(8) . . ?
C39 C34 C40 121.2(7) . . ?
C55 C34 C40 119.1(8) . . ?
C38 C35 C17 118.0(8) . . ?
C38 C35 C41 122.1(7) . . ?
C17 C35 C41 119.9(7) . . ?
C45 C36 C25 118.4(7) . . ?
C45 C36 C20 121.3(7) . . ?
C25 C36 C20 120.3(7) . . ?
C46 C37 C14 118.4(8) . . ?
C35 C38 C32 119.2(8) . . ?
C34 C39 C50 118.6(9) . . ?
N10 C40 N12 124.4(7) . . ?
N10 C40 C34 117.4(7) . . ?
N12 C40 C34 118.1(7) . . ?
N4 C41 N5 124.6(7) . . ?
N4 C41 C35 118.4(7) . . ?
N5 C41 C35 117.0(7) . . ?
N1 C42 C17 125.0(8) . . ?
N8 C43 C25 123.9(8) . . ?
C36 C45 C23 119.9(7) . . ?
N2 C46 C37 125.2(8) . . ?
C56 C48 C22 118.9(8) . . ?
N2 C49 C9 123.2(8) . . ?
N9 C50 C39 123.4(9) . . ?
N9 C52 C55 125.4(9) . . ?
N3 C54 C57 123.2(10) . . ?
C34 C55 C52 116.7(9) . . ?
N7 C56 C48 124.6(8) . . ?
C54 C57 C30 119.3(9) . . ?
C60 C58 C30 117.3(9) . . ?
N3 C60 C58 125.7(9) . . ?
C42 N1 C32 117.0(7) . . ?
C42 N1 Ag1 123.0(5) . . ?
C32 N1 Ag1 119.9(6) . . ?
C49 N2 C46 116.5(7) . . ?
C49 N2 Ag1 123.6(6) . 3 ?
C46 N2 Ag1 119.7(6) . 3 ?
C60 N3 C54 116.0(8) . . ?
C60 N3 Ag2 129.7(7) . . ?
C54 N3 Ag2 113.0(6) . . ?
C41 N4 C29 116.1(7) . . ?
C13 N5 C41 115.1(7) . . ?
C13 N6 C29 116.0(7) . . ?
C18 N7 C56 115.7(7) . . ?
C18 N7 Ag2 114.9(5) . . ?
C56 N7 Ag2 128.9(6) . . ?
C43 N8 C23 117.6(7) . . ?
C43 N8 Ag2 127.1(6) . 3_455 ?
C23 N8 Ag2 115.2(5) . 3_455 ?
C52 N9 C50 116.1(8) . . ?
C52 N9 Ag1 112.4(6) . 3_454 ?
C50 N9 Ag1 131.5(7) . 3_454 ?
C40 N10 C8 114.5(6) . . ?
C8 N11 C20 115.6(7) . . ?
C40 N12 C20 115.1(7) . . ?
O1 Mo1 O1 104.0(13) . 2_656 ?
O1 Mo1 O2 110.5(7) . . ?
O1 Mo1 O2 101.3(6) 2_656 . ?
O1 Mo1 O2 101.3(6) . 2_656 ?
O1 Mo1 O2 110.5(7) 2_656 2_656 ?
O2 Mo1 O2 127.3(5) . 2_656 ?
O4 Mo2 O3 102.1(5) . . ?
O4 Mo2 O5 104.8(4) . . ?
O3 Mo2 O5 98.1(5) . . ?
O4 Mo2 O2 92.1(4) . . ?
O3 Mo2 O2 101.2(5) . . ?
O5 Mo2 O2 151.0(3) . . ?
O4 Mo2 O7 164.8(4) . 2_656 ?
O3 Mo2 O7 90.0(4) . 2_656 ?
O5 Mo2 O7 82.2(3) . 2_656 ?
O2 Mo2 O7 76.5(3) . 2_656 ?
O4 Mo2 O6 92.1(4) . . ?
O3 Mo2 O6 165.1(4) . . ?
O5 Mo2 O6 73.7(3) . . ?
O2 Mo2 O6 82.4(3) . . ?
O7 Mo2 O6 76.7(3) 2_656 . ?
O10 Mo3 O9 103.4(5) . . ?
O10 Mo3 O5 95.5(5) . . ?
O9 Mo3 O5 100.3(4) . . ?
O10 Mo3 O11 105.6(5) . . ?
O9 Mo3 O11 95.5(4) . . ?
O5 Mo3 O11 149.8(3) . . ?
O10 Mo3 O12 90.8(4) . 2_656 ?
O9 Mo3 O12 165.0(4) . 2_656 ?
O5 Mo3 O12 82.9(3) . 2_656 ?
O11 Mo3 O12 75.6(3) . 2_656 ?
O10 Mo3 O6 161.8(5) . . ?
O9 Mo3 O6 92.3(4) . . ?
O5 Mo3 O6 72.4(3) . . ?
O11 Mo3 O6 81.6(3) . . ?
O12 Mo3 O6 74.6(3) 2_656 . ?
O13 Mo4 O13 107.7(8) . 2_656 ?
O13 Mo4 O11 102.1(5) . 2_656 ?
O13 Mo4 O11 107.5(6) 2_656 2_656 ?
O13 Mo4 O11 107.5(6) . . ?
O13 Mo4 O11 102.1(5) 2_656 . ?
O11 Mo4 O11 128.7(5) 2_656 . ?
O8 Mo5 O6 115.2(5) . . ?
O8 Mo5 O12 106.1(4) . . ?
O6 Mo5 O12 111.6(4) . . ?
O8 Mo5 O7 103.0(4) . . ?
O6 Mo5 O7 111.4(4) . . ?
O12 Mo5 O7 109.0(4) . . ?
Mo1 O2 Mo2 136.9(5) . . ?
Mo2 O5 Mo3 122.8(4) . . ?
Mo5 O6 Mo2 139.9(4) . . ?
Mo5 O6 Mo3 131.3(4) . . ?
Mo2 O6 Mo3 88.2(3) . . ?
Mo5 O7 Mo2 127.2(4) . 2_656 ?
Mo4 O11 Mo3 127.5(5) . . ?
Mo5 O12 Mo3 129.5(4) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         2.188
_refine_diff_density_min         -0.844
_refine_diff_density_rms         0.153
_database_code_depnum_ccdc_archive 'CCDC 956845'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_100K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.1162(7)
_cell_length_b                   16.2831(4)
_cell_length_c                   25.6433(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.366(4)
_cell_angle_gamma                90.00
_cell_volume                     8344.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100.01(11)
_cell_measurement_reflns_used    12665
_cell_measurement_theta_min      3.2110
_cell_measurement_theta_max      29.0560

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.167
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.63895
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100.01(11)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13579
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             6719
_reflns_number_gt                5935
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0567P)²+104.0700P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6719
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0440
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.1110
_refine_ls_wR_factor_gt          0.1064
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.65622(2) 0.04313(3) -0.632290(19) 0.01762(13) Uani 1 1 d . . .
Ag2 Ag -0.17721(2) 0.24829(3) -0.13282(2) 0.01853(14) Uani 1 1 d . . .
N10 N 0.1226(2) 0.0376(3) 0.0592(2) 0.0140(11) Uani 1 1 d . . .
N8 N 0.2800(2) -0.1867(3) -0.0786(2) 0.0127(11) Uani 1 1 d . . .
N1 N -0.5611(2) 0.1157(3) -0.5878(2) 0.0139(11) Uani 1 1 d . . .
N6 N -0.2616(2) 0.3226(3) -0.4369(2) 0.0118(11) Uani 1 1 d . . .
N7 N -0.0872(2) 0.1582(3) -0.0926(2) 0.0141(11) Uani 1 1 d . . .
C17 C -0.2646(3) 0.4347(4) -0.6119(3) 0.0151(13) Uani 1 1 d . . .
H17A H -0.2861 0.4405 -0.6518 0.018 Uiso 1 1 calc R . .
C18 C 0.2194(3) -0.1514(4) -0.1079(3) 0.0130(12) Uani 1 1 d . . .
H18A H 0.1993 -0.1556 -0.1479 0.016 Uiso 1 1 calc R . .
N12 N 0.2112(2) -0.0493(3) 0.0648(2) 0.0132(11) Uani 1 1 d . . .
C20 C -0.4669(3) 0.1872(4) -0.5890(3) 0.0156(13) Uani 1 1 d . . .
H20A H -0.4448 0.2071 -0.6101 0.019 Uiso 1 1 calc R . .
N2 N -0.2041(2) 0.4697(3) -0.5832(2) 0.0119(10) Uani 1 1 d . . .
N5 N -0.3521(2) 0.2897(3) -0.5274(2) 0.0123(11) Uani 1 1 d . . .
N3 N -0.2000(3) 0.2471(4) -0.2286(2) 0.0198(12) Uani 1 1 d . . .
C25 C -0.3761(3) 0.2431(4) -0.4975(3) 0.0107(12) Uani 1 1 d . . .
C26 C 0.0976(3) 0.0298(4) 0.0013(3) 0.0115(12) Uani 1 1 d . . .
C27 C 0.2778(3) -0.1382(4) 0.0092(3) 0.0153(13) Uani 1 1 d . . .
H27A H 0.2987 -0.1346 0.0493 0.018 Uiso 1 1 calc R . .
N11 N 0.1263(2) -0.0111(3) -0.0267(2) 0.0120(10) Uani 1 1 d . . .
C29 C -0.2017(3) 0.4163(4) -0.4950(2) 0.0104(12) Uani 1 1 d . . .
H29A H -0.1795 0.4123 -0.4551 0.013 Uiso 1 1 calc R . .
N9 N 0.2760(3) 0.0291(3) 0.2718(2) 0.0195(12) Uani 1 1 d . . .
C31 C -0.4404(3) 0.1984(3) -0.5298(3) 0.0113(12) Uani 1 1 d . . .
C32 C 0.0031(3) 0.1160(4) -0.0036(3) 0.0138(13) Uani 1 1 d . . .
H32A H 0.0226 0.1171 0.0365 0.017 Uiso 1 1 calc R . .
C33 C -0.0569(3) 0.1167(4) -0.1204(3) 0.0185(14) Uani 1 1 d . . .
H33A H -0.0767 0.1177 -0.1606 0.022 Uiso 1 1 calc R . .
C34 C -0.2905(3) 0.2736(4) -0.4123(3) 0.0130(13) Uani 1 1 d . . .
C35 C -0.4747(3) 0.1651(4) -0.4998(3) 0.0169(13) Uani 1 1 d . . .
H35A H -0.4576 0.1700 -0.4599 0.020 Uiso 1 1 calc R . .
N4 N -0.3470(2) 0.2317(3) -0.4404(2) 0.0119(10) Uani 1 1 d . . .
C37 C 0.3077(3) -0.0045(4) 0.2430(3) 0.0210(14) Uani 1 1 d . . .
H37A H 0.3520 -0.0207 0.2637 0.025 Uiso 1 1 calc R . .
C38 C -0.2571(3) 0.2630(4) -0.3486(3) 0.0144(13) Uani 1 1 d . . .
C39 C 0.1787(3) 0.0441(4) 0.1814(3) 0.0191(14) Uani 1 1 d . . .
H39A H 0.1346 0.0616 0.1613 0.023 Uiso 1 1 calc R . .
C40 C -0.0570(3) 0.1569(4) -0.0351(3) 0.0139(13) Uani 1 1 d . . .
H40A H -0.0771 0.1846 -0.0150 0.017 Uiso 1 1 calc R . .
C41 C -0.5268(3) 0.1459(4) -0.6159(3) 0.0165(13) Uani 1 1 d . . .
H41A H -0.5445 0.1386 -0.6556 0.020 Uiso 1 1 calc R . .
C42 C 0.2125(3) 0.0082(4) 0.1521(3) 0.0143(13) Uani 1 1 d . . .
C43 C -0.1736(3) 0.4598(4) -0.5260(3) 0.0126(12) Uani 1 1 d . . .
H43A H -0.1315 0.4830 -0.5058 0.015 Uiso 1 1 calc R . .
C44 C 0.0017(3) 0.0732(4) -0.0929(3) 0.0140(13) Uani 1 1 d . . .
H44A H 0.0199 0.0440 -0.1140 0.017 Uiso 1 1 calc R . .
C45 C -0.1716(3) 0.2927(4) -0.2549(3) 0.0227(15) Uani 1 1 d . . .
H45A H -0.1317 0.3192 -0.2321 0.027 Uiso 1 1 calc R . .
C46 C 0.0331(3) 0.0739(4) -0.0329(3) 0.0115(12) Uani 1 1 d . . .
C47 C 0.2153(3) -0.1016(4) -0.0224(3) 0.0124(12) Uani 1 1 d . . .
C48 C 0.1858(3) -0.1092(3) -0.0815(3) 0.0115(12) Uani 1 1 d . . .
H48A H 0.1439 -0.0863 -0.1034 0.014 Uiso 1 1 calc R . .
C49 C -0.2960(3) 0.3904(4) -0.5844(3) 0.0141(13) Uani 1 1 d . . .
H49A H -0.3384 0.3686 -0.6057 0.017 Uiso 1 1 calc R . .
C50 C -0.2939(3) 0.3278(4) -0.4947(3) 0.0122(12) Uani 1 1 d . . .
C51 C 0.2116(3) 0.0535(4) 0.2409(3) 0.0219(15) Uani 1 1 d . . .
H51A H 0.1888 0.0773 0.2603 0.026 Uiso 1 1 calc R . .
C52 C 0.1801(3) -0.0028(4) 0.0882(3) 0.0129(13) Uani 1 1 d . . .
C53 C 0.1825(3) -0.0520(4) 0.0071(3) 0.0130(12) Uani 1 1 d . . .
C54 C -0.2644(3) 0.3785(4) -0.5255(3) 0.0112(12) Uani 1 1 d . . .
C55 C 0.3080(3) -0.1801(4) -0.0209(3) 0.0176(14) Uani 1 1 d . . .
H55A H 0.3494 -0.2045 0.0000 0.021 Uiso 1 1 calc R . .
C56 C -0.1981(3) 0.3035(4) -0.3147(3) 0.0186(14) Uani 1 1 d . . .
H56A H -0.1768 0.3367 -0.3312 0.022 Uiso 1 1 calc R . .
C57 C -0.5337(3) 0.1253(4) -0.5303(3) 0.0177(14) Uani 1 1 d . . .
H57A H -0.5563 0.1036 -0.5100 0.021 Uiso 1 1 calc R . .
C58 C -0.2852(3) 0.2113(4) -0.3221(3) 0.0206(14) Uani 1 1 d . . .
H58A H -0.3235 0.1811 -0.3439 0.025 Uiso 1 1 calc R . .
C59 C -0.2554(3) 0.2053(4) -0.2626(3) 0.0221(15) Uani 1 1 d . . .
H59A H -0.2746 0.1706 -0.2451 0.026 Uiso 1 1 calc R . .
C60 C 0.2780(3) -0.0165(4) 0.1835(3) 0.0182(14) Uani 1 1 d . . .
H60A H 0.3019 -0.0407 0.1652 0.022 Uiso 1 1 calc R . .
Mo2 Mo -0.50130(3) -0.08784(3) -0.63955(2) 0.01228(14) Uani 1 1 d . . .
Mo3 Mo -0.51065(3) -0.29204(3) -0.64364(2) 0.01234(14) Uani 1 1 d . . .
Mo5 Mo -0.40858(3) -0.19324(3) -0.70943(2) 0.01244(14) Uani 1 1 d . . .
Mo4 Mo -0.5000 -0.40447(6) -0.7500 0.0211(2) Uani 1 2 d S . .
Mo1 Mo -0.5000 0.04009(6) -0.7500 0.0268(2) Uani 1 2 d S . .
O4 O -0.5733(2) -0.0823(3) -0.6305(2) 0.0284(11) Uani 1 1 d . . .
O12 O -0.4377(2) -0.2835(3) -0.6861(2) 0.0254(11) Uani 1 1 d . . .
O3 O -0.4475(2) -0.0230(3) -0.5877(2) 0.0273(11) Uani 1 1 d . . .
O10 O -0.5790(2) -0.2867(3) -0.6287(2) 0.0298(11) Uani 1 1 d . . .
O11 O -0.5506(2) -0.3592(3) -0.7123(2) 0.0256(11) Uani 1 1 d . . .
O9 O -0.4591(2) -0.3578(3) -0.5941(2) 0.0286(11) Uani 1 1 d . . .
O2 O -0.5351(2) -0.0127(3) -0.7070(2) 0.0281(11) Uani 1 1 d . . .
O8 O -0.4478(3) -0.1849(3) -0.7860(2) 0.0308(12) Uani 1 1 d . . .
O7 O -0.3240(2) -0.1989(3) -0.6828(2) 0.0289(12) Uani 1 1 d . . .
O13 O -0.4435(3) -0.4661(3) -0.6999(2) 0.0324(12) Uani 1 1 d . . .
O5 O -0.4661(2) -0.1896(3) -0.6068(2) 0.0243(11) Uani 1 1 d . . .
O6 O -0.4250(3) -0.1037(3) -0.6777(2) 0.0356(13) Uani 1 1 d . . .
O1 O -0.4380(4) 0.1046(5) -0.7053(3) 0.066(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.251(5) . ?
Ag1 N9 2.277(5) 1_454 ?
Ag1 N2 2.298(5) 3_445 ?
Ag2 N8 2.254(5) 3_455 ?
Ag2 N3 2.285(5) . ?
Ag2 N7 2.329(5) . ?
N10 C52 1.338(8) . ?
N10 C26 1.351(8) . ?
N8 C55 1.341(8) . ?
N8 C18 1.352(8) . ?
N8 Ag2 2.254(5) 3_545 ?
N1 C41 1.341(8) . ?
N1 C57 1.344(8) . ?
N6 C34 1.339(8) . ?
N6 C50 1.344(8) . ?
N7 C40 1.333(8) . ?
N7 C33 1.351(8) . ?
C17 N2 1.345(8) . ?
C17 C49 1.386(9) . ?
C18 C48 1.384(8) . ?
N12 C52 1.327(8) . ?
N12 C53 1.337(8) . ?
C20 C41 1.379(9) . ?
C20 C31 1.385(9) . ?
N2 C43 1.336(8) . ?
N2 Ag1 2.298(5) 3 ?
N5 C25 1.338(8) . ?
N5 C50 1.349(8) . ?
N3 C45 1.328(9) . ?
N3 C59 1.346(9) . ?
C25 N4 1.337(8) . ?
C25 C31 1.494(8) . ?
C26 N11 1.325(8) . ?
C26 C46 1.498(8) . ?
C27 C55 1.397(9) . ?
C27 C47 1.401(9) . ?
N11 C53 1.347(8) . ?
C29 C43 1.393(8) . ?
C29 C54 1.408(8) . ?
N9 C37 1.335(9) . ?
N9 C51 1.359(9) . ?
N9 Ag1 2.277(5) 1_656 ?
C31 C35 1.400(9) . ?
C32 C46 1.380(9) . ?
C32 C40 1.393(8) . ?
C33 C44 1.377(9) . ?
C34 N4 1.332(8) . ?
C34 C38 1.487(8) . ?
C35 C57 1.363(9) . ?
C37 C60 1.393(9) . ?
C38 C58 1.386(9) . ?
C38 C56 1.386(9) . ?
C39 C51 1.390(9) . ?
C39 C42 1.396(9) . ?
C42 C60 1.382(9) . ?
C42 C52 1.490(8) . ?
C44 C46 1.391(8) . ?
C45 C56 1.399(9) . ?
C47 C48 1.376(9) . ?
C47 C53 1.491(9) . ?
C49 C54 1.382(9) . ?
C50 C54 1.473(9) . ?
C58 C59 1.382(9) . ?
Mo2 O4 1.708(5) . ?
Mo2 O3 1.716(5) . ?
Mo2 O5 1.870(5) . ?
Mo2 O2 1.985(5) . ?
Mo2 O6 2.300(5) . ?
Mo2 O8 2.361(5) 2_453 ?
Mo3 O9 1.679(5) . ?
Mo3 O10 1.714(5) . ?
Mo3 O11 1.935(5) . ?
Mo3 O5 1.961(5) . ?
Mo3 O12 2.304(5) . ?
Mo3 O8 2.392(5) 2_453 ?
Mo5 O7 1.696(4) . ?
Mo5 O8 1.779(5) . ?
Mo5 O6 1.781(5) . ?
Mo5 O12 1.806(5) . ?
Mo4 O13 1.686(5) 2_453 ?
Mo4 O13 1.686(5) . ?
Mo4 O11 1.911(5) . ?
Mo4 O11 1.911(5) 2_453 ?
Mo1 O1 1.718(6) . ?
Mo1 O1 1.718(6) 2_453 ?
Mo1 O2 1.813(5) . ?
Mo1 O2 1.813(5) 2_453 ?
O8 Mo2 2.361(5) 2_453 ?
O8 Mo3 2.392(5) 2_453 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 129.76(19) . 1_454 ?
N1 Ag1 N2 123.11(18) . 3_445 ?
N9 Ag1 N2 107.11(19) 1_454 3_445 ?
N8 Ag2 N3 135.19(19) 3_455 . ?
N8 Ag2 N7 121.88(18) 3_455 . ?
N3 Ag2 N7 102.93(19) . . ?
C52 N10 C26 114.2(5) . . ?
C55 N8 C18 117.3(5) . . ?
C55 N8 Ag2 126.9(4) . 3_545 ?
C18 N8 Ag2 115.8(4) . 3_545 ?
C41 N1 C57 117.0(5) . . ?
C41 N1 Ag1 122.8(4) . . ?
C57 N1 Ag1 120.0(4) . . ?
C34 N6 C50 114.9(5) . . ?
C40 N7 C33 116.7(5) . . ?
C40 N7 Ag2 115.4(4) . . ?
C33 N7 Ag2 127.2(4) . . ?
N2 C17 C49 122.6(6) . . ?
N8 C18 C48 123.5(6) . . ?
C52 N12 C53 115.3(5) . . ?
C41 C20 C31 118.4(6) . . ?
C17 N2 C43 117.8(5) . . ?
C17 N2 Ag1 120.2(4) . 3 ?
C43 N2 Ag1 122.0(4) . 3 ?
C25 N5 C50 114.3(5) . . ?
C45 N3 C59 116.8(6) . . ?
C45 N3 Ag2 127.4(5) . . ?
C59 N3 Ag2 114.9(4) . . ?
N4 C25 N5 125.7(5) . . ?
N4 C25 C31 115.9(5) . . ?
N5 C25 C31 118.4(5) . . ?
N11 C26 N10 125.2(6) . . ?
N11 C26 C46 118.8(5) . . ?
N10 C26 C46 116.0(5) . . ?
C55 C27 C47 118.3(6) . . ?
C26 N11 C53 115.1(5) . . ?
C43 C29 C54 118.7(5) . . ?
C37 N9 C51 117.6(5) . . ?
C37 N9 Ag1 112.3(4) . 1_656 ?
C51 N9 Ag1 129.9(4) . 1_656 ?
C20 C31 C35 118.5(6) . . ?
C20 C31 C25 121.8(5) . . ?
C35 C31 C25 119.8(5) . . ?
C46 C32 C40 119.0(6) . . ?
N7 C33 C44 123.8(6) . . ?
N4 C34 N6 125.3(5) . . ?
N4 C34 C38 116.4(5) . . ?
N6 C34 C38 118.4(5) . . ?
C57 C35 C31 118.8(6) . . ?
C34 N4 C25 114.9(5) . . ?
N9 C37 C60 123.5(6) . . ?
C58 C38 C56 118.8(6) . . ?
C58 C38 C34 119.6(6) . . ?
C56 C38 C34 121.6(6) . . ?
C51 C39 C42 119.1(6) . . ?
N7 C40 C32 123.4(5) . . ?
N1 C41 C20 123.7(6) . . ?
C60 C42 C39 118.6(6) . . ?
C60 C42 C52 119.7(6) . . ?
C39 C42 C52 121.6(6) . . ?
N2 C43 C29 123.2(5) . . ?
C33 C44 C46 118.5(6) . . ?
N3 C45 C56 124.1(6) . . ?
C32 C46 C44 118.5(6) . . ?
C32 C46 C26 118.6(5) . . ?
C44 C46 C26 122.9(5) . . ?
C48 C47 C27 119.0(6) . . ?
C48 C47 C53 120.2(5) . . ?
C27 C47 C53 120.7(5) . . ?
C47 C48 C18 118.8(6) . . ?
C54 C49 C17 120.1(6) . . ?
N6 C50 N5 124.9(5) . . ?
N6 C50 C54 118.5(5) . . ?
N5 C50 C54 116.7(5) . . ?
N9 C51 C39 122.3(6) . . ?
N12 C52 N10 125.5(5) . . ?
N12 C52 C42 117.8(5) . . ?
N10 C52 C42 116.6(5) . . ?
N12 C53 N11 124.4(5) . . ?
N12 C53 C47 118.4(5) . . ?
N11 C53 C47 117.1(5) . . ?
C49 C54 C29 117.5(5) . . ?
C49 C54 C50 122.2(5) . . ?
C29 C54 C50 120.4(5) . . ?
N8 C55 C27 123.0(6) . . ?
C38 C56 C45 117.9(6) . . ?
N1 C57 C35 123.6(6) . . ?
C38 C58 C59 118.8(6) . . ?
N3 C59 C58 123.5(6) . . ?
C42 C60 C37 118.8(6) . . ?
O4 Mo2 O3 103.8(2) . . ?
O4 Mo2 O5 102.6(2) . . ?
O3 Mo2 O5 100.4(2) . . ?
O4 Mo2 O2 93.5(2) . . ?
O3 Mo2 O2 99.9(2) . . ?
O5 Mo2 O2 150.0(2) . . ?
O4 Mo2 O6 164.0(2) . . ?
O3 Mo2 O6 90.4(2) . . ?
O5 Mo2 O6 81.4(2) . . ?
O2 Mo2 O6 76.6(2) . . ?
O4 Mo2 O8 89.8(2) . 2_453 ?
O3 Mo2 O8 166.3(2) . 2_453 ?
O5 Mo2 O8 74.45(19) . 2_453 ?
O2 Mo2 O8 80.62(19) . 2_453 ?
O6 Mo2 O8 76.31(19) . 2_453 ?
O9 Mo3 O10 104.0(2) . . ?
O9 Mo3 O11 103.0(2) . . ?
O10 Mo3 O11 97.5(2) . . ?
O9 Mo3 O5 98.0(2) . . ?
O10 Mo3 O5 99.2(2) . . ?
O11 Mo3 O5 149.0(2) . . ?
O9 Mo3 O12 90.5(2) . . ?
O10 Mo3 O12 164.9(2) . . ?
O11 Mo3 O12 75.09(19) . . ?
O5 Mo3 O12 82.34(19) . . ?
O9 Mo3 O8 162.3(2) . 2_453 ?
O10 Mo3 O8 92.4(2) . 2_453 ?
O11 Mo3 O8 81.19(18) . 2_453 ?
O5 Mo3 O8 72.21(18) . 2_453 ?
O12 Mo3 O8 73.74(18) . 2_453 ?
O7 Mo5 O8 112.3(3) . . ?
O7 Mo5 O6 105.4(3) . . ?
O8 Mo5 O6 110.1(3) . . ?
O7 Mo5 O12 108.1(2) . . ?
O8 Mo5 O12 110.7(2) . . ?
O6 Mo5 O12 110.1(2) . . ?
O13 Mo4 O13 107.0(4) 2_453 . ?
O13 Mo4 O11 102.2(2) 2_453 . ?
O13 Mo4 O11 104.3(2) . . ?
O13 Mo4 O11 104.3(2) 2_453 2_453 ?
O13 Mo4 O11 102.2(2) . 2_453 ?
O11 Mo4 O11 134.6(3) . 2_453 ?
O1 Mo1 O1 104.6(6) . 2_453 ?
O1 Mo1 O2 108.1(3) . . ?
O1 Mo1 O2 105.6(3) 2_453 . ?
O1 Mo1 O2 105.6(3) . 2_453 ?
O1 Mo1 O2 108.1(3) 2_453 2_453 ?
O2 Mo1 O2 123.4(3) . 2_453 ?
Mo5 O12 Mo3 128.8(2) . . ?
Mo4 O11 Mo3 122.7(2) . . ?
Mo1 O2 Mo2 136.3(3) . . ?
Mo5 O8 Mo2 141.4(3) . 2_453 ?
Mo5 O8 Mo3 128.7(2) . 2_453 ?
Mo2 O8 Mo3 88.96(16) 2_453 2_453 ?
Mo2 O5 Mo3 120.7(2) . . ?
Mo5 O6 Mo2 128.1(3) . . ?

_diffrn_measured_fraction_theta_max 0.913
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.913
_refine_diff_density_max         2.809
_refine_diff_density_min         -2.278
_refine_diff_density_rms         0.177
_database_code_depnum_ccdc_archive 'CCDC 956846'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_130K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0935(9)
_cell_length_b                   16.2897(4)
_cell_length_c                   25.6306(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.277(5)
_cell_angle_gamma                90.00
_cell_volume                     8341.2(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    130.00(10)
_cell_measurement_reflns_used    16349
_cell_measurement_theta_min      3.2240
_cell_measurement_theta_max      29.3620

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.72527
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      130.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17897
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7039
_reflns_number_gt                6237
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0397P)²+99.2570P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7039
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0353
_refine_ls_wR_factor_ref         0.0930
_refine_ls_wR_factor_gt          0.0885
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.65611(2) -0.45704(3) -0.632255(18) 0.01977(12) Uani 1 1 d . . .
Mo2 Mo -0.50134(2) -0.58796(3) -0.639577(19) 0.01347(12) Uani 1 1 d . . .
Mo5 Mo -0.59137(2) -0.69324(3) -0.79066(2) 0.01356(12) Uani 1 1 d . . .
Mo3 Mo -0.51064(2) -0.79194(3) -0.643666(19) 0.01379(12) Uani 1 1 d . . .
Mo4 Mo -0.5000 -0.90469(5) -0.7500 0.02355(17) Uani 1 2 d S . .
Mo1 Mo -0.5000 -0.46013(5) -0.7500 0.02885(19) Uani 1 2 d S . .
Ag2 Ag -0.17711(2) -0.25187(3) -0.132785(18) 0.02120(12) Uani 1 1 d . . .
O12 O -0.5628(2) -0.7830(3) -0.81435(18) 0.0274(10) Uani 1 1 d . . .
O6 O -0.5519(2) -0.6848(3) -0.71378(18) 0.0340(11) Uani 1 1 d . . .
O10 O -0.4591(2) -0.8574(3) -0.59390(19) 0.0318(10) Uani 1 1 d . . .
N6 N -0.2616(2) -0.1776(3) -0.43679(19) 0.0148(10) Uani 1 1 d . . .
O11 O -0.5503(2) -0.8586(3) -0.71245(18) 0.0284(10) Uani 1 1 d . . .
O2 O -0.5351(2) -0.5125(3) -0.70697(18) 0.0291(10) Uani 1 1 d . . .
N8 N 0.2799(2) -0.6869(3) -0.07872(19) 0.0156(10) Uani 1 1 d . . .
N12 N 0.1226(2) -0.4629(3) 0.05882(19) 0.0148(9) Uani 1 1 d . . .
O3 O -0.4477(2) -0.5232(3) -0.58752(18) 0.0311(10) Uani 1 1 d . . .
N1 N -0.5608(2) -0.3842(3) -0.58779(19) 0.0178(10) Uani 1 1 d . . .
O9 O -0.5791(2) -0.7869(3) -0.6290(2) 0.0310(10) Uani 1 1 d . . .
N7 N -0.0868(2) -0.3422(3) -0.09259(19) 0.0164(10) Uani 1 1 d . . .
O8 O -0.6760(2) -0.6992(3) -0.8169(2) 0.0318(11) Uani 1 1 d . . .
O13 O -0.4434(2) -0.9665(3) -0.6998(2) 0.0366(11) Uani 1 1 d . . .
O5 O -0.4666(2) -0.6900(3) -0.60683(18) 0.0256(9) Uani 1 1 d . . .
C17 C -0.3763(3) -0.2572(3) -0.4976(2) 0.0116(11) Uani 1 1 d . . .
N10 N 0.1263(2) -0.5111(3) -0.02678(18) 0.0126(9) Uani 1 1 d . . .
N5 N -0.3519(2) -0.2102(3) -0.52719(19) 0.0136(9) Uani 1 1 d . . .
C20 C -0.2649(3) -0.0649(3) -0.6119(2) 0.0159(11) Uani 1 1 d . . .
H20A H -0.2869 -0.0578 -0.6516 0.019 Uiso 1 1 calc R . .
N2 N -0.2042(2) -0.0304(3) -0.58332(19) 0.0140(9) Uani 1 1 d . . .
N11 N 0.2115(2) -0.5499(3) 0.06477(19) 0.0161(10) Uani 1 1 d . . .
N3 N -0.1996(2) -0.2533(3) -0.2287(2) 0.0213(11) Uani 1 1 d . . .
C24 C 0.2780(3) -0.6377(3) 0.0092(2) 0.0167(11) Uani 1 1 d . . .
H24A H 0.2989 -0.6340 0.0492 0.020 Uiso 1 1 calc R . .
C25 C -0.2016(2) -0.0842(3) -0.4950(2) 0.0128(11) Uani 1 1 d . . .
H25A H -0.1792 -0.0887 -0.4551 0.015 Uiso 1 1 calc R . .
C26 C 0.2195(3) -0.6517(3) -0.1081(2) 0.0150(11) Uani 1 1 d . . .
H26A H 0.1995 -0.6559 -0.1481 0.018 Uiso 1 1 calc R . .
C27 C -0.4402(2) -0.3022(3) -0.5298(2) 0.0120(11) Uani 1 1 d . . .
N9 N 0.2758(2) -0.4708(3) 0.2718(2) 0.0223(11) Uani 1 1 d . . .
C29 C 0.0976(2) -0.4696(3) 0.0011(2) 0.0127(11) Uani 1 1 d . . .
O7 O -0.5750(2) -0.6035(3) -0.8225(2) 0.0344(11) Uani 1 1 d . . .
N4 N -0.3470(2) -0.2680(3) -0.44068(18) 0.0140(9) Uani 1 1 d . . .
C32 C -0.0564(3) -0.3430(3) -0.0349(2) 0.0156(11) Uani 1 1 d . . .
H32A H -0.0764 -0.3147 -0.0148 0.019 Uiso 1 1 calc R . .
C33 C -0.4671(3) -0.3120(3) -0.5890(2) 0.0166(12) Uani 1 1 d . . .
H33A H -0.4455 -0.2905 -0.6102 0.020 Uiso 1 1 calc R . .
C34 C 0.0031(3) -0.3838(3) -0.0036(2) 0.0157(11) Uani 1 1 d . . .
H34A H 0.0225 -0.3829 0.0365 0.019 Uiso 1 1 calc R . .
C35 C -0.2566(3) -0.2372(3) -0.3483(2) 0.0158(11) Uani 1 1 d . . .
C36 C 0.1804(3) -0.5022(3) 0.0883(2) 0.0149(11) Uani 1 1 d . . .
C37 C 0.1789(3) -0.4562(4) 0.1816(2) 0.0219(13) Uani 1 1 d . . .
H37A H 0.1348 -0.4388 0.1618 0.026 Uiso 1 1 calc R . .
C38 C -0.4740(3) -0.3351(3) -0.4998(2) 0.0166(11) Uani 1 1 d . . .
H38A H -0.4567 -0.3303 -0.4599 0.020 Uiso 1 1 calc R . .
C39 C 0.2155(2) -0.6013(3) -0.0223(2) 0.0119(11) Uani 1 1 d . . .
C40 C -0.1738(3) -0.0409(3) -0.5259(2) 0.0142(11) Uani 1 1 d . . .
H40A H -0.1317 -0.0178 -0.5057 0.017 Uiso 1 1 calc R . .
C41 C -0.2905(3) -0.2267(3) -0.4124(2) 0.0145(11) Uani 1 1 d . . .
C42 C 0.0331(2) -0.4261(3) -0.0330(2) 0.0128(11) Uani 1 1 d . . .
C43 C 0.3078(3) -0.6796(3) -0.0208(2) 0.0182(12) Uani 1 1 d . . .
H43A H 0.3493 -0.7040 0.0002 0.022 Uiso 1 1 calc R . .
C44 C -0.2638(3) -0.1209(3) -0.5251(2) 0.0129(11) Uani 1 1 d . . .
C45 C -0.0567(3) -0.3834(4) -0.1206(2) 0.0187(12) Uani 1 1 d . . .
H45A H -0.0765 -0.3824 -0.1607 0.022 Uiso 1 1 calc R . .
C46 C -0.2944(3) -0.1722(3) -0.4948(2) 0.0129(11) Uani 1 1 d . . .
C47 C 0.3078(3) -0.5049(4) 0.2429(3) 0.0236(13) Uani 1 1 d . . .
H47A H 0.3520 -0.5214 0.2637 0.028 Uiso 1 1 calc R . .
C48 C 0.1828(3) -0.5515(3) 0.0069(2) 0.0127(11) Uani 1 1 d . . .
C49 C 0.1856(3) -0.6095(3) -0.0816(2) 0.0139(11) Uani 1 1 d . . .
H49A H 0.1436 -0.5871 -0.1034 0.017 Uiso 1 1 calc R . .
C50 C -0.2961(3) -0.1104(3) -0.5848(2) 0.0151(11) Uani 1 1 d . . .
H50A H -0.3379 -0.1338 -0.6061 0.018 Uiso 1 1 calc R . .
C51 C -0.5269(3) -0.3544(3) -0.6160(2) 0.0173(12) Uani 1 1 d . . .
H51A H -0.5442 -0.3625 -0.6557 0.021 Uiso 1 1 calc R . .
C52 C -0.5335(3) -0.3750(4) -0.5303(2) 0.0202(12) Uani 1 1 d . . .
H52A H -0.5561 -0.3968 -0.5101 0.024 Uiso 1 1 calc R . .
C53 C -0.1715(3) -0.2067(4) -0.2552(2) 0.0227(13) Uani 1 1 d . . .
H53A H -0.1322 -0.1790 -0.2325 0.027 Uiso 1 1 calc R . .
C54 C 0.2122(3) -0.4921(3) 0.1520(2) 0.0159(11) Uani 1 1 d . . .
C55 C 0.0023(3) -0.4271(3) -0.0927(2) 0.0170(12) Uani 1 1 d . . .
H55A H 0.0206 -0.4564 -0.1136 0.020 Uiso 1 1 calc R . .
C56 C -0.1978(3) -0.1972(4) -0.3148(2) 0.0206(12) Uani 1 1 d . . .
H56A H -0.1762 -0.1648 -0.3315 0.025 Uiso 1 1 calc R . .
C57 C 0.2122(3) -0.4468(4) 0.2406(3) 0.0255(14) Uani 1 1 d . . .
H57A H 0.1894 -0.4225 0.2599 0.031 Uiso 1 1 calc R . .
C58 C -0.2848(3) -0.2894(4) -0.3218(2) 0.0216(13) Uani 1 1 d . . .
H58A H -0.3229 -0.3198 -0.3436 0.026 Uiso 1 1 calc R . .
C59 C 0.2783(3) -0.5167(3) 0.1834(2) 0.0203(12) Uani 1 1 d . . .
H59A H 0.3022 -0.5405 0.1650 0.024 Uiso 1 1 calc R . .
C60 C -0.2551(3) -0.2950(4) -0.2626(3) 0.0243(13) Uani 1 1 d . . .
H60A H -0.2744 -0.3295 -0.2450 0.029 Uiso 1 1 calc R . .
O1 O -0.4383(3) -0.3959(4) -0.7050(3) 0.080(2) Uani 1 1 d . . .
O4 O -0.5733(2) -0.5821(3) -0.63063(18) 0.0304(10) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.256(5) . ?
Ag1 N9 2.280(5) 1_454 ?
Ag1 N2 2.296(4) 3_445 ?
Mo2 O4 1.702(4) . ?
Mo2 O3 1.716(4) . ?
Mo2 O5 1.872(4) . ?
Mo2 O2 1.988(4) . ?
Mo2 O7 2.293(4) 2_453 ?
Mo2 O6 2.353(4) . ?
Mo5 O8 1.698(4) . ?
Mo5 O6 1.787(4) . ?
Mo5 O7 1.784(4) . ?
Mo5 O12 1.798(4) . ?
Mo3 O10 1.679(4) . ?
Mo3 O9 1.710(4) . ?
Mo3 O11 1.933(4) . ?
Mo3 O5 1.953(4) . ?
Mo3 O12 2.303(4) 2_453 ?
Mo3 O6 2.389(4) . ?
Mo4 O13 1.691(5) 2_453 ?
Mo4 O13 1.691(5) . ?
Mo4 O11 1.908(4) 2_453 ?
Mo4 O11 1.908(4) . ?
Mo1 O1 1.715(6) . ?
Mo1 O1 1.715(6) 2_453 ?
Mo1 O2 1.810(4) 2_453 ?
Mo1 O2 1.810(4) . ?
Ag2 N8 2.251(4) 3_455 ?
Ag2 N3 2.291(5) . ?
Ag2 N7 2.335(4) . ?
O12 Mo3 2.303(4) 2_453 ?
N6 C41 1.334(7) . ?
N6 C46 1.350(7) . ?
N8 C43 1.347(7) . ?
N8 C26 1.349(7) . ?
N8 Ag2 2.251(4) 3_545 ?
N12 C36 1.336(7) . ?
N12 C29 1.345(7) . ?
N1 C51 1.336(7) . ?
N1 C52 1.341(7) . ?
N7 C32 1.338(7) . ?
N7 C45 1.348(7) . ?
C17 N4 1.332(7) . ?
C17 N5 1.343(7) . ?
C17 C27 1.489(7) . ?
N10 C29 1.325(7) . ?
N10 C48 1.347(7) . ?
N5 C46 1.335(7) . ?
C20 N2 1.345(7) . ?
C20 C50 1.384(7) . ?
N2 C40 1.343(7) . ?
N2 Ag1 2.296(4) 3 ?
N11 C36 1.340(7) . ?
N11 C48 1.342(7) . ?
N3 C53 1.335(7) . ?
N3 C60 1.344(8) . ?
C24 C43 1.388(7) . ?
C24 C39 1.398(7) . ?
C25 C40 1.384(7) . ?
C25 C44 1.391(7) . ?
C26 C49 1.388(7) . ?
C27 C33 1.382(7) . ?
C27 C38 1.388(7) . ?
N9 C47 1.343(8) . ?
N9 C57 1.345(8) . ?
N9 Ag1 2.280(5) 1_656 ?
C29 C42 1.494(7) . ?
O7 Mo2 2.293(4) 2_453 ?
N4 C41 1.328(7) . ?
C32 C34 1.383(8) . ?
C33 C51 1.386(8) . ?
C34 C42 1.384(7) . ?
C35 C56 1.377(8) . ?
C35 C58 1.392(8) . ?
C35 C41 1.495(7) . ?
C36 C54 1.487(8) . ?
C37 C54 1.391(8) . ?
C37 C57 1.380(8) . ?
C38 C52 1.372(8) . ?
C39 C49 1.380(7) . ?
C39 C48 1.485(7) . ?
C42 C55 1.382(8) . ?
C44 C50 1.395(7) . ?
C44 C46 1.487(7) . ?
C45 C55 1.386(8) . ?
C47 C59 1.394(8) . ?
C53 C56 1.393(8) . ?
C54 C59 1.390(8) . ?
C58 C60 1.376(8) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 129.80(17) . 1_454 ?
N1 Ag1 N2 123.20(16) . 3_445 ?
N9 Ag1 N2 106.97(17) 1_454 3_445 ?
O4 Mo2 O3 103.6(2) . . ?
O4 Mo2 O5 102.55(19) . . ?
O3 Mo2 O5 100.5(2) . . ?
O4 Mo2 O2 93.27(19) . . ?
O3 Mo2 O2 100.0(2) . . ?
O5 Mo2 O2 150.27(18) . . ?
O4 Mo2 O7 164.04(19) . 2_453 ?
O3 Mo2 O7 90.55(18) . 2_453 ?
O5 Mo2 O7 81.76(17) . 2_453 ?
O2 Mo2 O7 76.73(17) . 2_453 ?
O4 Mo2 O6 89.9(2) . . ?
O3 Mo2 O6 166.42(19) . . ?
O5 Mo2 O6 74.33(17) . . ?
O2 Mo2 O6 80.78(16) . . ?
O7 Mo2 O6 76.38(16) 2_453 . ?
O8 Mo5 O6 112.2(2) . . ?
O8 Mo5 O7 105.6(2) . . ?
O6 Mo5 O7 110.0(2) . . ?
O8 Mo5 O12 107.80(19) . . ?
O6 Mo5 O12 111.0(2) . . ?
O7 Mo5 O12 110.08(19) . . ?
O10 Mo3 O9 103.9(2) . . ?
O10 Mo3 O11 103.5(2) . . ?
O9 Mo3 O11 97.39(19) . . ?
O10 Mo3 O5 97.8(2) . . ?
O9 Mo3 O5 99.08(19) . . ?
O11 Mo3 O5 148.99(17) . . ?
O10 Mo3 O12 90.61(18) . 2_453 ?
O9 Mo3 O12 165.02(19) . 2_453 ?
O11 Mo3 O12 75.23(16) . 2_453 ?
O5 Mo3 O12 82.33(16) . 2_453 ?
O10 Mo3 O6 162.26(19) . . ?
O9 Mo3 O6 92.33(19) . . ?
O11 Mo3 O6 81.11(17) . . ?
O5 Mo3 O6 72.15(16) . . ?
O12 Mo3 O6 73.82(16) 2_453 . ?
O13 Mo4 O13 106.9(3) 2_453 . ?
O13 Mo4 O11 104.6(2) 2_453 2_453 ?
O13 Mo4 O11 102.6(2) . 2_453 ?
O13 Mo4 O11 102.6(2) 2_453 . ?
O13 Mo4 O11 104.6(2) . . ?
O11 Mo4 O11 133.6(3) 2_453 . ?
O1 Mo1 O1 104.8(6) . 2_453 ?
O1 Mo1 O2 105.8(2) . 2_453 ?
O1 Mo1 O2 107.6(3) 2_453 2_453 ?
O1 Mo1 O2 107.6(3) . . ?
O1 Mo1 O2 105.8(2) 2_453 . ?
O2 Mo1 O2 123.8(3) 2_453 . ?
N8 Ag2 N3 135.26(17) 3_455 . ?
N8 Ag2 N7 122.03(16) 3_455 . ?
N3 Ag2 N7 102.71(16) . . ?
Mo5 O12 Mo3 128.9(2) . 2_453 ?
Mo5 O6 Mo2 141.5(2) . . ?
Mo5 O6 Mo3 128.5(2) . . ?
Mo2 O6 Mo3 89.13(15) . . ?
C41 N6 C46 114.5(4) . . ?
Mo4 O11 Mo3 123.1(2) . . ?
Mo1 O2 Mo2 136.2(2) . . ?
C43 N8 C26 117.1(4) . . ?
C43 N8 Ag2 127.2(3) . 3_545 ?
C26 N8 Ag2 115.7(3) . 3_545 ?
C36 N12 C29 115.3(4) . . ?
C51 N1 C52 117.4(5) . . ?
C51 N1 Ag1 122.4(4) . . ?
C52 N1 Ag1 120.0(3) . . ?
C32 N7 C45 117.1(5) . . ?
C32 N7 Ag2 115.1(3) . . ?
C45 N7 Ag2 127.0(4) . . ?
Mo2 O5 Mo3 120.9(2) . . ?
N4 C17 N5 124.7(5) . . ?
N4 C17 C27 116.4(4) . . ?
N5 C17 C27 118.9(5) . . ?
C29 N10 C48 115.4(4) . . ?
C46 N5 C17 114.7(4) . . ?
N2 C20 C50 123.0(5) . . ?
C20 N2 C40 117.3(4) . . ?
C20 N2 Ag1 120.4(3) . 3 ?
C40 N2 Ag1 122.3(3) . 3 ?
C36 N11 C48 114.6(4) . . ?
C53 N3 C60 116.9(5) . . ?
C53 N3 Ag2 127.2(4) . . ?
C60 N3 Ag2 114.8(4) . . ?
C43 C24 C39 118.3(5) . . ?
C40 C25 C44 118.5(5) . . ?
N8 C26 C49 123.3(5) . . ?
C33 C27 C38 118.9(5) . . ?
C33 C27 C17 121.7(5) . . ?
C38 C27 C17 119.4(5) . . ?
C47 N9 C57 117.1(5) . . ?
C47 N9 Ag1 112.0(4) . 1_656 ?
C57 N9 Ag1 130.7(4) . 1_656 ?
N10 C29 N12 124.6(5) . . ?
N10 C29 C42 118.9(5) . . ?
N12 C29 C42 116.5(4) . . ?
Mo5 O7 Mo2 127.9(2) . 2_453 ?
C17 N4 C41 115.8(4) . . ?
N7 C32 C34 123.4(5) . . ?
C27 C33 C51 118.5(5) . . ?
C42 C34 C32 118.8(5) . . ?
C56 C35 C58 119.0(5) . . ?
C56 C35 C41 121.8(5) . . ?
C58 C35 C41 119.2(5) . . ?
N12 C36 N11 125.0(5) . . ?
N12 C36 C54 117.2(5) . . ?
N11 C36 C54 117.8(5) . . ?
C54 C37 C57 119.0(5) . . ?
C27 C38 C52 118.5(5) . . ?
C49 C39 C24 119.0(5) . . ?
C49 C39 C48 120.0(5) . . ?
C24 C39 C48 120.9(5) . . ?
N2 C40 C25 123.7(5) . . ?
N6 C41 N4 125.1(5) . . ?
N6 C41 C35 117.9(5) . . ?
N4 C41 C35 117.1(5) . . ?
C55 C42 C34 119.0(5) . . ?
C55 C42 C29 122.6(5) . . ?
C34 C42 C29 118.4(5) . . ?
N8 C43 C24 123.5(5) . . ?
C50 C44 C25 118.5(5) . . ?
C50 C44 C46 120.6(5) . . ?
C25 C44 C46 120.9(5) . . ?
N7 C45 C55 123.3(5) . . ?
N5 C46 N6 125.2(5) . . ?
N5 C46 C44 117.3(5) . . ?
N6 C46 C44 117.5(4) . . ?
N9 C47 C59 123.3(5) . . ?
N10 C48 N11 124.8(5) . . ?
N10 C48 C39 117.5(4) . . ?
N11 C48 C39 117.7(4) . . ?
C39 C49 C26 118.8(5) . . ?
C44 C50 C20 119.0(5) . . ?
N1 C51 C33 123.1(5) . . ?
N1 C52 C38 123.5(5) . . ?
N3 C53 C56 123.7(5) . . ?
C37 C54 C59 118.4(5) . . ?
C37 C54 C36 122.2(5) . . ?
C59 C54 C36 119.4(5) . . ?
C42 C55 C45 118.4(5) . . ?
C35 C56 C53 118.2(5) . . ?
N9 C57 C37 123.5(5) . . ?
C60 C58 C35 118.5(5) . . ?
C47 C59 C54 118.6(5) . . ?
N3 C60 C58 123.6(5) . . ?

_diffrn_measured_fraction_theta_max 0.957
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.957
_refine_diff_density_max         2.381
_refine_diff_density_min         -1.990
_refine_diff_density_rms         0.148
_database_code_depnum_ccdc_archive 'CCDC 956847'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_160K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0870(8)
_cell_length_b                   16.3172(4)
_cell_length_c                   25.6279(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.265(5)
_cell_angle_gamma                90.00
_cell_volume                     8352.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    160.01(10)
_cell_measurement_reflns_used    15701
_cell_measurement_theta_min      3.2270
_cell_measurement_theta_max      29.1600

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.68046
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      160.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17987
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7059
_reflns_number_gt                6175
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0438P)²+77.3691P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7059
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0416
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0950
_refine_ls_wR_factor_gt          0.0898
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.17704(2) 0.25212(3) -0.132771(18) 0.02484(12) Uani 1 1 d . . .
Ag2 Ag 0.34397(2) 0.45717(3) 0.367761(18) 0.02273(12) Uani 1 1 d . . .
C17 C 0.6237(2) 0.2568(3) 0.5024(2) 0.0136(11) Uani 1 1 d . . .
C21 C 0.7353(3) 0.0652(3) 0.3882(2) 0.0183(11) Uani 1 1 d . . .
H21A H 0.7134 0.0586 0.3484 0.022 Uiso 1 1 calc R . .
C22 C 0.2776(3) 0.6377(3) 0.0089(2) 0.0188(11) Uani 1 1 d . . .
H22A H 0.2985 0.6340 0.0489 0.023 Uiso 1 1 calc R . .
C26 C 0.0033(3) 0.3837(3) -0.0035(2) 0.0157(11) Uani 1 1 d . . .
H26A H 0.0228 0.3822 0.0366 0.019 Uiso 1 1 calc R . .
C27 C -0.0565(3) 0.3433(3) -0.0352(2) 0.0183(11) Uani 1 1 d . . .
H27A H -0.0767 0.3152 -0.0152 0.022 Uiso 1 1 calc R . .
C28 C 0.2196(2) 0.6521(3) -0.1081(2) 0.0166(11) Uani 1 1 d . . .
H28A H 0.1996 0.6565 -0.1481 0.020 Uiso 1 1 calc R . .
C29 C 0.5332(3) 0.3121(3) 0.4112(2) 0.0193(12) Uani 1 1 d . . .
H29A H 0.5550 0.2912 0.3900 0.023 Uiso 1 1 calc R . .
C30 C 0.0977(2) 0.4699(3) 0.0010(2) 0.0148(11) Uani 1 1 d . . .
C31 C 0.7981(2) 0.0840(3) 0.5049(2) 0.0157(11) Uani 1 1 d . . .
H31A H 0.8204 0.0883 0.5449 0.019 Uiso 1 1 calc R . .
C33 C 0.5598(2) 0.3019(3) 0.4701(2) 0.0156(11) Uani 1 1 d . . .
C35 C 0.1792(3) 0.4563(4) 0.1815(2) 0.0238(13) Uani 1 1 d . . .
H35A H 0.1352 0.4388 0.1616 0.029 Uiso 1 1 calc R . .
C36 C 0.0334(2) 0.4262(3) -0.0329(2) 0.0136(10) Uani 1 1 d . . .
C37 C 0.7098(3) 0.2269(3) 0.5876(2) 0.0156(11) Uani 1 1 d . . .
C38 C 0.7433(3) 0.2373(3) 0.6514(2) 0.0172(11) Uani 1 1 d . . .
C39 C 0.5259(3) 0.3352(3) 0.5001(2) 0.0192(11) Uani 1 1 d . . .
H39A H 0.5430 0.3305 0.5400 0.023 Uiso 1 1 calc R . .
C40 C 0.1804(3) 0.5023(3) 0.0884(2) 0.0167(11) Uani 1 1 d . . .
C41 C 0.1825(2) 0.5517(3) 0.0067(2) 0.0147(11) Uani 1 1 d . . .
C42 C 0.8260(3) 0.0408(3) 0.4741(2) 0.0164(11) Uani 1 1 d . . .
H42A H 0.8680 0.0176 0.4944 0.020 Uiso 1 1 calc R . .
C43 C 0.2151(2) 0.6013(3) -0.0226(2) 0.0151(11) Uani 1 1 d . . .
C44 C 0.1855(3) 0.6098(3) -0.0818(2) 0.0151(11) Uani 1 1 d . . .
H44A H 0.1435 0.5875 -0.1037 0.018 Uiso 1 1 calc R . .
C45 C 0.7362(2) 0.1209(3) 0.4749(2) 0.0141(11) Uani 1 1 d . . .
C46 C 0.3079(3) 0.5048(4) 0.2427(2) 0.0252(13) Uani 1 1 d . . .
H46A H 0.3521 0.5212 0.2634 0.030 Uiso 1 1 calc R . .
C47 C 0.4666(3) 0.3753(4) 0.4693(2) 0.0222(12) Uani 1 1 d . . .
H47A H 0.4443 0.3976 0.4896 0.027 Uiso 1 1 calc R . .
C48 C 0.7056(2) 0.1721(3) 0.5052(2) 0.0147(11) Uani 1 1 d . . .
C49 C 0.3081(3) 0.6797(3) -0.0211(2) 0.0200(12) Uani 1 1 d . . .
H49A H 0.3497 0.7036 -0.0001 0.024 Uiso 1 1 calc R . .
C50 C 0.4728(3) 0.3544(3) 0.3840(2) 0.0193(12) Uani 1 1 d . . .
H50A H 0.4553 0.3621 0.3443 0.023 Uiso 1 1 calc R . .
C51 C -0.0564(3) 0.3835(3) -0.1204(2) 0.0217(12) Uani 1 1 d . . .
H51A H -0.0761 0.3824 -0.1606 0.026 Uiso 1 1 calc R . .
C52 C 0.0023(3) 0.4272(3) -0.0929(2) 0.0196(12) Uani 1 1 d . . .
H52A H 0.0205 0.4565 -0.1139 0.023 Uiso 1 1 calc R . .
C53 C 0.7040(3) 0.1103(3) 0.4152(2) 0.0175(11) Uani 1 1 d . . .
H53A H 0.6621 0.1334 0.3939 0.021 Uiso 1 1 calc R . .
C54 C 0.2782(3) 0.5166(3) 0.1833(2) 0.0219(12) Uani 1 1 d . . .
H54A H 0.3022 0.5402 0.1648 0.026 Uiso 1 1 calc R . .
C55 C 0.2123(3) 0.4924(3) 0.1520(2) 0.0191(11) Uani 1 1 d . . .
C56 C 0.8283(3) 0.2071(4) 0.7446(2) 0.0285(14) Uani 1 1 d . . .
H56A H 0.8677 0.1795 0.7672 0.034 Uiso 1 1 calc R . .
C57 C 0.7154(3) 0.2894(4) 0.6781(2) 0.0247(13) Uani 1 1 d . . .
H57A H 0.6773 0.3198 0.6563 0.030 Uiso 1 1 calc R . .
C58 C 0.8023(3) 0.1975(3) 0.6851(2) 0.0220(12) Uani 1 1 d . . .
H58A H 0.8240 0.1651 0.6685 0.026 Uiso 1 1 calc R . .
C59 C 0.2119(3) 0.4465(4) 0.2404(2) 0.0256(13) Uani 1 1 d . . .
H59A H 0.1890 0.4221 0.2595 0.031 Uiso 1 1 calc R . .
C60 C 0.7450(3) 0.2953(4) 0.7372(3) 0.0267(13) Uani 1 1 d . . .
H60A H 0.7257 0.3300 0.7547 0.032 Uiso 1 1 calc R . .
N1 N -0.0867(2) 0.3426(3) -0.09278(19) 0.0187(10) Uani 1 1 d . . .
N2 N 0.2800(2) 0.6872(3) -0.0786(2) 0.0181(10) Uani 1 1 d . . .
N3 N 0.2759(2) 0.4709(3) 0.2717(2) 0.0255(11) Uani 1 1 d . . .
N4 N 0.1228(2) 0.4627(3) 0.05890(18) 0.0169(9) Uani 1 1 d . . .
N5 N 0.1263(2) 0.5112(3) -0.02685(18) 0.0146(9) Uani 1 1 d . . .
N6 N 0.2115(2) 0.5499(3) 0.06485(19) 0.0174(10) Uani 1 1 d . . .
N7 N 0.4390(2) 0.3843(3) 0.41210(19) 0.0199(10) Uani 1 1 d . . .
N8 N 0.7957(2) 0.0303(3) 0.41656(18) 0.0154(9) Uani 1 1 d . . .
N9 N 0.8004(2) 0.2536(3) 0.7713(2) 0.0244(11) Uani 1 1 d . . .
N10 N 0.6480(2) 0.2105(3) 0.47260(18) 0.0156(9) Uani 1 1 d . . .
N11 N 0.7382(2) 0.1775(3) 0.56314(18) 0.0161(9) Uani 1 1 d . . .
N12 N 0.6529(2) 0.2681(3) 0.55923(18) 0.0165(9) Uani 1 1 d . . .
Mo1 Mo 0.5000 0.46036(5) 0.2500 0.03136(19) Uani 1 2 d S . .
Mo2 Mo 0.49868(2) 0.58819(3) 0.360442(19) 0.01540(12) Uani 1 1 d . . .
Mo3 Mo 0.48952(2) 0.79183(3) 0.356363(19) 0.01579(12) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.90515(5) 0.2500 0.02659(18) Uani 1 2 d S . .
Mo5 Mo 0.40861(2) 0.69328(3) 0.20926(2) 0.01532(12) Uani 1 1 d . . .
O1 O 0.5618(4) 0.3962(4) 0.2947(3) 0.091(3) Uani 1 1 d . . .
O2 O 0.4650(2) 0.5127(3) 0.29310(18) 0.0318(10) Uani 1 1 d . . .
O3 O 0.5524(2) 0.5237(3) 0.41262(19) 0.0355(10) Uani 1 1 d . . .
O4 O 0.4267(2) 0.5823(3) 0.36940(18) 0.0338(10) Uani 1 1 d . . .
O5 O 0.5334(2) 0.6898(3) 0.39344(17) 0.0282(9) Uani 1 1 d . . .
O6 O 0.4484(2) 0.6851(3) 0.28598(18) 0.0360(11) Uani 1 1 d . . .
O7 O 0.4249(2) 0.6036(3) 0.1773(2) 0.0357(11) Uani 1 1 d . . .
O8 O 0.3240(2) 0.6990(3) 0.1835(2) 0.0356(11) Uani 1 1 d . . .
O9 O 0.4209(2) 0.7871(3) 0.37061(19) 0.0343(10) Uani 1 1 d . . .
O10 O 0.5407(2) 0.8573(3) 0.40609(18) 0.0343(10) Uani 1 1 d . . .
O11 O 0.4503(2) 0.8586(3) 0.28769(18) 0.0316(10) Uani 1 1 d . . .
O12 O 0.4368(2) 0.7828(3) 0.18538(18) 0.0297(10) Uani 1 1 d . . .
O13 O 0.5568(2) 0.9668(3) 0.3001(2) 0.0422(12) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.252(4) 3_445 ?
Ag1 N9 2.292(5) 1_454 ?
Ag1 N1 2.338(4) . ?
Ag2 N7 2.253(4) . ?
Ag2 N3 2.282(5) . ?
Ag2 N8 2.294(4) 3_455 ?
C17 N12 1.330(7) . ?
C17 N10 1.338(6) . ?
C17 C33 1.491(7) . ?
C21 N8 1.343(7) . ?
C21 C53 1.380(7) . ?
C22 C43 1.400(7) . ?
C22 C49 1.398(7) . ?
C26 C36 1.385(7) . ?
C26 C27 1.387(7) . ?
C27 N1 1.336(7) . ?
C28 N2 1.349(7) . ?
C28 C44 1.389(7) . ?
C29 C33 1.377(7) . ?
C29 C50 1.397(8) . ?
C30 N5 1.321(6) . ?
C30 N4 1.350(7) . ?
C30 C36 1.493(7) . ?
C31 C42 1.383(7) . ?
C31 C45 1.389(7) . ?
C33 C39 1.393(7) . ?
C35 C59 1.376(8) . ?
C35 C55 1.387(8) . ?
C36 C52 1.391(7) . ?
C37 N11 1.330(7) . ?
C37 N12 1.335(7) . ?
C37 C38 1.490(7) . ?
C38 C58 1.380(8) . ?
C38 C57 1.390(8) . ?
C39 C47 1.372(8) . ?
C40 N4 1.337(7) . ?
C40 N6 1.339(7) . ?
C40 C55 1.482(7) . ?
C41 N5 1.345(7) . ?
C41 N6 1.347(7) . ?
C41 C43 1.483(7) . ?
C42 N8 1.345(7) . ?
C43 C44 1.378(7) . ?
C45 C53 1.395(7) . ?
C45 C48 1.484(7) . ?
C46 N3 1.342(7) . ?
C46 C54 1.391(8) . ?
C47 N7 1.334(7) . ?
C48 N10 1.343(7) . ?
C48 N11 1.349(7) . ?
C49 N2 1.339(7) . ?
C50 N7 1.331(7) . ?
C51 N1 1.342(7) . ?
C51 C52 1.380(8) . ?
C54 C55 1.387(8) . ?
C56 N9 1.335(7) . ?
C56 C58 1.389(8) . ?
C57 C60 1.373(8) . ?
C59 N3 1.355(7) . ?
C60 N9 1.345(8) . ?
N2 Ag1 2.252(4) 3 ?
N8 Ag2 2.294(4) 3_545 ?
N9 Ag1 2.292(5) 1_656 ?
Mo1 O1 1.714(6) . ?
Mo1 O1 1.714(6) 2_655 ?
Mo1 O2 1.809(4) 2_655 ?
Mo1 O2 1.809(4) . ?
Mo2 O4 1.703(4) . ?
Mo2 O3 1.717(4) . ?
Mo2 O5 1.870(4) . ?
Mo2 O2 1.989(4) . ?
Mo2 O7 2.290(4) 2_655 ?
Mo2 O6 2.359(4) . ?
Mo3 O10 1.678(4) . ?
Mo3 O9 1.707(4) . ?
Mo3 O11 1.932(4) . ?
Mo3 O5 1.957(4) . ?
Mo3 O12 2.303(4) 2_655 ?
Mo3 O6 2.391(4) . ?
Mo4 O13 1.690(5) . ?
Mo4 O13 1.690(5) 2_655 ?
Mo4 O11 1.903(4) . ?
Mo4 O11 1.903(4) 2_655 ?
Mo5 O8 1.698(4) . ?
Mo5 O6 1.784(4) . ?
Mo5 O7 1.787(4) . ?
Mo5 O12 1.795(4) . ?
O7 Mo2 2.290(4) 2_655 ?
O12 Mo3 2.303(4) 2_655 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N9 135.25(17) 3_445 1_454 ?
N2 Ag1 N1 122.17(16) 3_445 . ?
N9 Ag1 N1 102.58(16) 1_454 . ?
N7 Ag2 N3 129.69(16) . . ?
N7 Ag2 N8 123.33(16) . 3_455 ?
N3 Ag2 N8 106.95(16) . 3_455 ?
N12 C17 N10 125.3(5) . . ?
N12 C17 C33 116.2(4) . . ?
N10 C17 C33 118.5(4) . . ?
N8 C21 C53 123.3(5) . . ?
C43 C22 C49 118.6(5) . . ?
C36 C26 C27 118.6(5) . . ?
N1 C27 C26 123.5(5) . . ?
N2 C28 C44 123.4(5) . . ?
C33 C29 C50 118.4(5) . . ?
N5 C30 N4 124.9(5) . . ?
N5 C30 C36 119.0(4) . . ?
N4 C30 C36 116.1(4) . . ?
C42 C31 C45 118.5(5) . . ?
C29 C33 C39 118.8(5) . . ?
C29 C33 C17 121.8(5) . . ?
C39 C33 C17 119.4(5) . . ?
C59 C35 C55 119.8(5) . . ?
C26 C36 C52 118.7(5) . . ?
C26 C36 C30 118.8(4) . . ?
C52 C36 C30 122.4(5) . . ?
N11 C37 N12 124.9(5) . . ?
N11 C37 C38 118.3(5) . . ?
N12 C37 C38 116.8(4) . . ?
C58 C38 C57 118.7(5) . . ?
C58 C38 C37 121.8(5) . . ?
C57 C38 C37 119.5(5) . . ?
C47 C39 C33 118.2(5) . . ?
N4 C40 N6 124.9(5) . . ?
N4 C40 C55 117.4(5) . . ?
N6 C40 C55 117.7(5) . . ?
N5 C41 N6 124.7(4) . . ?
N5 C41 C43 117.3(4) . . ?
N6 C41 C43 118.0(4) . . ?
N8 C42 C31 123.8(5) . . ?
C44 C43 C22 118.7(5) . . ?
C44 C43 C41 120.5(5) . . ?
C22 C43 C41 120.8(5) . . ?
C43 C44 C28 118.9(5) . . ?
C31 C45 C53 118.3(5) . . ?
C31 C45 C48 120.9(5) . . ?
C53 C45 C48 120.8(5) . . ?
N3 C46 C54 123.4(5) . . ?
N7 C47 C39 124.2(5) . . ?
N10 C48 N11 125.0(5) . . ?
N10 C48 C45 117.3(5) . . ?
N11 C48 C45 117.7(4) . . ?
N2 C49 C22 123.0(5) . . ?
N7 C50 C29 123.2(5) . . ?
N1 C51 C52 123.9(5) . . ?
C51 C52 C36 118.2(5) . . ?
C21 C53 C45 119.1(5) . . ?
C55 C54 C46 118.7(5) . . ?
C54 C55 C35 118.3(5) . . ?
C54 C55 C40 119.5(5) . . ?
C35 C55 C40 122.2(5) . . ?
N9 C56 C58 124.1(5) . . ?
C60 C57 C38 118.8(5) . . ?
C38 C58 C56 118.1(5) . . ?
N3 C59 C35 122.7(5) . . ?
N9 C60 C57 123.6(5) . . ?
C27 N1 C51 117.0(5) . . ?
C27 N1 Ag1 114.8(3) . . ?
C51 N1 Ag1 127.4(4) . . ?
C49 N2 C28 117.4(4) . . ?
C49 N2 Ag1 127.0(3) . 3 ?
C28 N2 Ag1 115.5(3) . 3 ?
C46 N3 C59 117.1(5) . . ?
C46 N3 Ag2 112.2(4) . . ?
C59 N3 Ag2 130.5(4) . . ?
C40 N4 C30 115.1(4) . . ?
C30 N5 C41 115.4(4) . . ?
C40 N6 C41 114.8(4) . . ?
C50 N7 C47 117.1(5) . . ?
C50 N7 Ag2 122.5(4) . . ?
C47 N7 Ag2 120.2(3) . . ?
C21 N8 C42 117.0(4) . . ?
C21 N8 Ag2 120.7(3) . 3_545 ?
C42 N8 Ag2 122.3(3) . 3_545 ?
C56 N9 C60 116.5(5) . . ?
C56 N9 Ag1 127.4(4) . 1_656 ?
C60 N9 Ag1 115.0(4) . 1_656 ?
C17 N10 C48 114.4(4) . . ?
C37 N11 C48 114.9(4) . . ?
C17 N12 C37 115.5(4) . . ?
O1 Mo1 O1 104.7(6) . 2_655 ?
O1 Mo1 O2 105.7(2) . 2_655 ?
O1 Mo1 O2 107.8(3) 2_655 2_655 ?
O1 Mo1 O2 107.8(3) . . ?
O1 Mo1 O2 105.7(2) 2_655 . ?
O2 Mo1 O2 123.7(3) 2_655 . ?
O4 Mo2 O3 103.6(2) . . ?
O4 Mo2 O5 102.42(19) . . ?
O3 Mo2 O5 100.2(2) . . ?
O4 Mo2 O2 93.29(19) . . ?
O3 Mo2 O2 100.0(2) . . ?
O5 Mo2 O2 150.58(17) . . ?
O4 Mo2 O7 164.17(19) . 2_655 ?
O3 Mo2 O7 90.43(18) . 2_655 ?
O5 Mo2 O7 81.97(17) . 2_655 ?
O2 Mo2 O7 76.76(17) . 2_655 ?
O4 Mo2 O6 90.14(19) . . ?
O3 Mo2 O6 166.17(19) . . ?
O5 Mo2 O6 74.48(16) . . ?
O2 Mo2 O6 80.84(16) . . ?
O7 Mo2 O6 76.27(16) 2_655 . ?
O10 Mo3 O9 103.8(2) . . ?
O10 Mo3 O11 103.1(2) . . ?
O9 Mo3 O11 97.26(19) . . ?
O10 Mo3 O5 98.0(2) . . ?
O9 Mo3 O5 99.10(19) . . ?
O11 Mo3 O5 149.20(17) . . ?
O10 Mo3 O12 90.70(17) . 2_655 ?
O9 Mo3 O12 164.92(19) . 2_655 ?
O11 Mo3 O12 75.18(16) . 2_655 ?
O5 Mo3 O12 82.52(16) . 2_655 ?
O10 Mo3 O6 162.40(19) . . ?
O9 Mo3 O6 92.40(19) . . ?
O11 Mo3 O6 81.11(16) . . ?
O5 Mo3 O6 72.31(16) . . ?
O12 Mo3 O6 73.71(16) 2_655 . ?
O13 Mo4 O13 107.0(3) . 2_655 ?
O13 Mo4 O11 104.7(2) . . ?
O13 Mo4 O11 102.7(2) 2_655 . ?
O13 Mo4 O11 102.7(2) . 2_655 ?
O13 Mo4 O11 104.7(2) 2_655 2_655 ?
O11 Mo4 O11 133.0(3) . 2_655 ?
O8 Mo5 O6 112.0(2) . . ?
O8 Mo5 O7 105.7(2) . . ?
O6 Mo5 O7 110.1(2) . . ?
O8 Mo5 O12 107.86(19) . . ?
O6 Mo5 O12 111.0(2) . . ?
O7 Mo5 O12 110.14(19) . . ?
Mo1 O2 Mo2 136.3(2) . . ?
Mo2 O5 Mo3 120.8(2) . . ?
Mo5 O6 Mo2 141.5(2) . . ?
Mo5 O6 Mo3 128.8(2) . . ?
Mo2 O6 Mo3 88.96(14) . . ?
Mo5 O7 Mo2 127.7(2) . 2_655 ?
Mo4 O11 Mo3 123.7(2) . . ?
Mo5 O12 Mo3 128.8(2) . 2_655 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         2.008
_refine_diff_density_min         -1.857
_refine_diff_density_rms         0.143
_database_code_depnum_ccdc_archive 'CCDC 956848'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_190K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0639(8)
_cell_length_b                   16.3382(4)
_cell_length_c                   25.6170(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.311(4)
_cell_angle_gamma                90.00
_cell_volume                     8348.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    190.00(10)
_cell_measurement_reflns_used    15032
_cell_measurement_theta_min      3.2280
_cell_measurement_theta_max      29.2530

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.166
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.59944
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      190.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17987
_diffrn_reflns_av_R_equivalents  0.0281
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7055
_reflns_number_gt                6123
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0400P)²+55.7980P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7055
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0338
_refine_ls_wR_factor_ref         0.0898
_refine_ls_wR_factor_gt          0.0840
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.15593(2) 0.45744(3) -0.632172(17) 0.02545(12) Uani 1 1 d . . .
Ag2 Ag 0.32296(2) 0.25214(3) -0.132750(17) 0.02823(12) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.46060(5) -0.7500 0.03375(19) Uani 1 2 d S . .
Mo2 Mo -0.00134(2) 0.58828(3) -0.639542(18) 0.01730(11) Uani 1 1 d . . .
Mo3 Mo -0.01051(2) 0.79168(3) -0.643672(19) 0.01779(11) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.90534(5) -0.7500 0.02887(17) Uani 1 2 d S . .
Mo5 Mo -0.09146(2) 0.69332(3) -0.790980(19) 0.01683(11) Uani 1 1 d . . .
C16 C 0.1237(2) 0.2570(3) -0.4976(2) 0.0142(10) Uani 1 1 d . . .
C22 C 0.7780(3) 0.6377(3) 0.0092(2) 0.0211(11) Uani 1 1 d . . .
H22A H 0.7987 0.6341 0.0493 0.025 Uiso 1 1 calc R . .
C24 C 0.2351(3) 0.0650(3) -0.6117(2) 0.0201(11) Uani 1 1 d . . .
H24A H 0.2132 0.0583 -0.6515 0.024 Uiso 1 1 calc R . .
C25 C 0.5978(2) 0.4700(3) 0.0010(2) 0.0159(10) Uani 1 1 d . . .
C26 C 0.2981(2) 0.0842(3) -0.4951(2) 0.0173(11) Uani 1 1 d . . .
H26A H 0.3204 0.0886 -0.4551 0.021 Uiso 1 1 calc R . .
C28 C 0.0331(3) 0.3122(3) -0.5889(2) 0.0223(12) Uani 1 1 d . . .
H28A H 0.0545 0.2908 -0.6101 0.027 Uiso 1 1 calc R . .
C29 C 0.4437(3) 0.3430(3) -0.0351(2) 0.0214(11) Uani 1 1 d . . .
H29A H 0.4236 0.3148 -0.0152 0.026 Uiso 1 1 calc R . .
C30 C 0.5034(2) 0.3835(3) -0.0035(2) 0.0171(10) Uani 1 1 d . . .
H30A H 0.5230 0.3821 0.0367 0.021 Uiso 1 1 calc R . .
C32 C 0.0600(2) 0.3022(3) -0.5298(2) 0.0167(10) Uani 1 1 d . . .
C34 C 0.2099(2) 0.2269(3) -0.4123(2) 0.0179(11) Uani 1 1 d . . .
C35 C 0.6789(3) 0.4561(4) 0.1813(2) 0.0276(13) Uani 1 1 d . . .
H35A H 0.6348 0.4385 0.1614 0.033 Uiso 1 1 calc R . .
C36 C 0.7198(2) 0.6520(3) -0.1079(2) 0.0197(11) Uani 1 1 d . . .
H36A H 0.6998 0.6563 -0.1480 0.024 Uiso 1 1 calc R . .
C37 C 0.6825(2) 0.5518(3) 0.0068(2) 0.0166(10) Uani 1 1 d . . .
C38 C 0.5334(2) 0.4262(3) -0.0329(2) 0.0149(10) Uani 1 1 d . . .
C39 C 0.6805(2) 0.5021(3) 0.0883(2) 0.0166(10) Uani 1 1 d . . .
C40 C 0.2436(2) 0.2374(3) -0.3483(2) 0.0192(11) Uani 1 1 d . . .
C41 C 0.0261(3) 0.3356(3) -0.5000(2) 0.0214(11) Uani 1 1 d . . .
H41A H 0.0434 0.3309 -0.4601 0.026 Uiso 1 1 calc R . .
C42 C 0.7155(2) 0.6011(3) -0.0224(2) 0.0158(10) Uani 1 1 d . . .
C43 C 0.3259(2) 0.0409(3) -0.5259(2) 0.0189(11) Uani 1 1 d . . .
H43A H 0.3681 0.0177 -0.5057 0.023 Uiso 1 1 calc R . .
C44 C 0.6857(2) 0.6096(3) -0.0815(2) 0.0170(10) Uani 1 1 d . . .
H44A H 0.6436 0.5874 -0.1034 0.020 Uiso 1 1 calc R . .
C45 C 0.8085(3) 0.6797(3) -0.0206(2) 0.0232(12) Uani 1 1 d . . .
H45A H 0.8501 0.7036 0.0005 0.028 Uiso 1 1 calc R . .
C46 C -0.0265(2) 0.3547(3) -0.6159(2) 0.0222(12) Uani 1 1 d . . .
H46A H -0.0436 0.3629 -0.6555 0.027 Uiso 1 1 calc R . .
C47 C 0.2359(2) 0.1210(3) -0.5255(2) 0.0163(10) Uani 1 1 d . . .
C48 C -0.0332(3) 0.3754(4) -0.5304(2) 0.0253(12) Uani 1 1 d . . .
H48A H -0.0557 0.3973 -0.5101 0.030 Uiso 1 1 calc R . .
C49 C 0.2054(2) 0.1721(3) -0.4949(2) 0.0162(10) Uani 1 1 d . . .
C50 C 0.2039(2) 0.1101(3) -0.5848(2) 0.0184(11) Uani 1 1 d . . .
H50A H 0.1618 0.1329 -0.6061 0.022 Uiso 1 1 calc R . .
C51 C 0.8076(3) 0.5049(4) 0.2425(2) 0.0293(13) Uani 1 1 d . . .
H51A H 0.8519 0.5215 0.2632 0.035 Uiso 1 1 calc R . .
C52 C 0.5024(3) 0.4269(3) -0.0928(2) 0.0220(11) Uani 1 1 d . . .
H52A H 0.5205 0.4563 -0.1138 0.026 Uiso 1 1 calc R . .
C53 C 0.4438(3) 0.3830(3) -0.1204(2) 0.0230(12) Uani 1 1 d . . .
H53A H 0.4243 0.3815 -0.1605 0.028 Uiso 1 1 calc R . .
C54 C 0.2157(3) 0.2891(3) -0.3218(2) 0.0245(12) Uani 1 1 d . . .
H54A H 0.1775 0.3193 -0.3436 0.029 Uiso 1 1 calc R . .
C55 C 0.3023(3) 0.1975(3) -0.3151(2) 0.0248(12) Uani 1 1 d . . .
H55A H 0.3238 0.1650 -0.3319 0.030 Uiso 1 1 calc R . .
C56 C 0.3283(3) 0.2074(4) -0.2557(2) 0.0307(13) Uani 1 1 d . . .
H56A H 0.3678 0.1798 -0.2331 0.037 Uiso 1 1 calc R . .
C57 C 0.7123(2) 0.4924(3) 0.1520(2) 0.0204(11) Uani 1 1 d . . .
C58 C 0.7781(3) 0.5167(3) 0.1832(2) 0.0250(12) Uani 1 1 d . . .
H58A H 0.8021 0.5405 0.1648 0.030 Uiso 1 1 calc R . .
C59 C 0.7123(3) 0.4467(4) 0.2406(2) 0.0294(13) Uani 1 1 d . . .
H59A H 0.6896 0.4225 0.2600 0.035 Uiso 1 1 calc R . .
C60 C 0.2454(3) 0.2951(4) -0.2626(2) 0.0299(13) Uani 1 1 d . . .
H60A H 0.2261 0.3297 -0.2451 0.036 Uiso 1 1 calc R . .
N1 N -0.0607(2) 0.3847(3) -0.58778(18) 0.0202(9) Uani 1 1 d . . .
N2 N 0.2955(2) 0.0305(2) -0.58323(18) 0.0181(9) Uani 1 1 d . . .
N3 N 0.3008(2) 0.2536(3) -0.22886(19) 0.0275(11) Uani 1 1 d . . .
N4 N 0.1531(2) 0.2682(3) -0.44072(17) 0.0180(9) Uani 1 1 d . . .
N5 N 0.1480(2) 0.2101(3) -0.52740(18) 0.0172(9) Uani 1 1 d . . .
N6 N 0.2383(2) 0.1778(3) -0.43694(18) 0.0180(9) Uani 1 1 d . . .
N7 N 0.4134(2) 0.3423(3) -0.09275(18) 0.0204(9) Uani 1 1 d . . .
N8 N 0.7802(2) 0.6870(2) -0.07837(18) 0.0194(9) Uani 1 1 d . . .
N9 N 0.7761(2) 0.4711(3) 0.27159(19) 0.0282(11) Uani 1 1 d . . .
N10 N 0.6228(2) 0.4627(3) 0.05881(18) 0.0190(9) Uani 1 1 d . . .
N11 N 0.62633(19) 0.5113(2) -0.02696(17) 0.0159(9) Uani 1 1 d . . .
N12 N 0.7115(2) 0.5497(3) 0.06481(18) 0.0202(9) Uani 1 1 d . . .
O1 O 0.0619(3) 0.3969(4) -0.7054(3) 0.096(3) Uani 1 1 d . . .
O2 O -0.0347(2) 0.5133(2) -0.70680(17) 0.0321(9) Uani 1 1 d . . .
O3 O -0.07359(19) 0.5828(3) -0.63085(17) 0.0342(10) Uani 1 1 d . . .
O4 O 0.0520(2) 0.5243(3) -0.58730(18) 0.0383(10) Uani 1 1 d . . .
O5 O 0.03301(19) 0.6898(2) -0.60673(17) 0.0303(9) Uani 1 1 d . . .
O6 O -0.0517(2) 0.6853(2) -0.71407(17) 0.0376(10) Uani 1 1 d . . .
O7 O -0.0753(2) 0.6039(3) -0.82271(18) 0.0369(10) Uani 1 1 d . . .
O8 O -0.17593(18) 0.6990(2) -0.81620(19) 0.0361(10) Uani 1 1 d . . .
O9 O -0.0792(2) 0.7871(3) -0.62944(19) 0.0372(10) Uani 1 1 d . . .
O10 O 0.0407(2) 0.8568(3) -0.59368(18) 0.0385(10) Uani 1 1 d . . .
O11 O -0.0495(2) 0.8587(2) -0.71240(17) 0.0333(10) Uani 1 1 d . . .
O12 O -0.06363(19) 0.7829(2) -0.81514(17) 0.0309(9) Uani 1 1 d . . .
O13 O 0.0569(2) 0.9672(3) -0.70007(19) 0.0457(11) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.254(4) . ?
Ag1 N9 2.284(4) 1_454 ?
Ag1 N2 2.300(4) 3_455 ?
Ag2 N8 2.255(4) 3_445 ?
Ag2 N3 2.296(4) . ?
Ag2 N7 2.336(4) . ?
Mo1 O1 1.709(6) 2_553 ?
Mo1 O1 1.709(6) . ?
Mo1 O2 1.811(4) 2_553 ?
Mo1 O2 1.811(4) . ?
Mo2 O3 1.704(4) . ?
Mo2 O4 1.710(4) . ?
Mo2 O5 1.868(4) . ?
Mo2 O2 1.981(4) . ?
Mo2 O7 2.292(4) 2_553 ?
Mo2 O6 2.362(4) . ?
Mo3 O10 1.677(4) . ?
Mo3 O9 1.705(4) . ?
Mo3 O11 1.935(4) . ?
Mo3 O5 1.952(4) . ?
Mo3 O12 2.299(4) 2_553 ?
Mo3 O6 2.387(4) . ?
Mo4 O13 1.691(5) . ?
Mo4 O13 1.691(5) 2_553 ?
Mo4 O11 1.897(4) 2_553 ?
Mo4 O11 1.897(4) . ?
Mo5 O8 1.694(4) . ?
Mo5 O7 1.781(4) . ?
Mo5 O6 1.786(4) . ?
Mo5 O12 1.797(4) . ?
C16 N4 1.331(6) . ?
C16 N5 1.345(6) . ?
C16 C32 1.486(7) . ?
C22 C45 1.394(7) . ?
C22 C42 1.399(7) . ?
C24 N2 1.341(6) . ?
C24 C50 1.378(7) . ?
C25 N11 1.323(6) . ?
C25 N10 1.346(6) . ?
C25 C38 1.494(7) . ?
C26 C47 1.392(7) . ?
C26 C43 1.384(7) . ?
C28 C32 1.378(7) . ?
C28 C46 1.382(7) . ?
C29 N7 1.335(7) . ?
C29 C30 1.385(7) . ?
C30 C38 1.385(7) . ?
C32 C41 1.389(7) . ?
C34 N4 1.332(6) . ?
C34 N6 1.332(6) . ?
C34 C40 1.493(7) . ?
C35 C59 1.386(8) . ?
C35 C57 1.391(7) . ?
C36 N8 1.348(6) . ?
C36 C44 1.391(7) . ?
C37 N11 1.344(6) . ?
C37 N12 1.345(6) . ?
C37 C42 1.484(7) . ?
C38 C52 1.388(7) . ?
C39 N12 1.337(6) . ?
C39 N10 1.335(6) . ?
C39 C57 1.483(7) . ?
C40 C55 1.372(7) . ?
C40 C54 1.383(7) . ?
C41 C48 1.368(7) . ?
C42 C44 1.376(7) . ?
C43 N2 1.338(6) . ?
C45 N8 1.344(7) . ?
C46 N1 1.338(6) . ?
C47 C50 1.385(7) . ?
C47 C49 1.489(7) . ?
C48 N1 1.337(7) . ?
C49 N5 1.333(6) . ?
C49 N6 1.349(6) . ?
C51 N9 1.338(7) . ?
C51 C58 1.385(8) . ?
C52 C53 1.379(7) . ?
C53 N7 1.342(7) . ?
C54 C60 1.374(8) . ?
C55 C56 1.388(8) . ?
C56 N3 1.330(7) . ?
C57 C58 1.383(7) . ?
C59 N9 1.347(7) . ?
C60 N3 1.340(7) . ?
N2 Ag1 2.300(4) 3_545 ?
N8 Ag2 2.255(4) 3 ?
N9 Ag1 2.284(4) 1_656 ?
O7 Mo2 2.292(4) 2_553 ?
O12 Mo3 2.299(4) 2_553 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 129.53(16) . 1_454 ?
N1 Ag1 N2 123.34(15) . 3_455 ?
N9 Ag1 N2 107.10(16) 1_454 3_455 ?
N8 Ag2 N3 135.54(16) 3_445 . ?
N8 Ag2 N7 122.09(15) 3_445 . ?
N3 Ag2 N7 102.36(16) . . ?
O1 Mo1 O1 105.0(6) 2_553 . ?
O1 Mo1 O2 107.9(2) 2_553 2_553 ?
O1 Mo1 O2 105.8(2) . 2_553 ?
O1 Mo1 O2 105.8(2) 2_553 . ?
O1 Mo1 O2 107.9(2) . . ?
O2 Mo1 O2 123.2(3) 2_553 . ?
O3 Mo2 O4 103.6(2) . . ?
O3 Mo2 O5 102.15(18) . . ?
O4 Mo2 O5 100.37(19) . . ?
O3 Mo2 O2 93.44(18) . . ?
O4 Mo2 O2 100.26(19) . . ?
O5 Mo2 O2 150.32(16) . . ?
O3 Mo2 O7 163.93(17) . 2_553 ?
O4 Mo2 O7 90.75(17) . 2_553 ?
O5 Mo2 O7 81.97(16) . 2_553 ?
O2 Mo2 O7 76.66(16) . 2_553 ?
O3 Mo2 O6 89.87(18) . . ?
O4 Mo2 O6 166.36(18) . . ?
O5 Mo2 O6 74.21(16) . . ?
O2 Mo2 O6 80.80(15) . . ?
O7 Mo2 O6 76.19(15) 2_553 . ?
O10 Mo3 O9 103.5(2) . . ?
O10 Mo3 O11 103.2(2) . . ?
O9 Mo3 O11 97.45(18) . . ?
O10 Mo3 O5 98.0(2) . . ?
O9 Mo3 O5 99.03(18) . . ?
O11 Mo3 O5 149.18(16) . . ?
O10 Mo3 O12 90.64(17) . 2_553 ?
O9 Mo3 O12 165.29(18) . 2_553 ?
O11 Mo3 O12 75.17(15) . 2_553 ?
O5 Mo3 O12 82.56(15) . 2_553 ?
O10 Mo3 O6 162.54(18) . . ?
O9 Mo3 O6 92.48(18) . . ?
O11 Mo3 O6 81.21(15) . . ?
O5 Mo3 O6 72.24(15) . . ?
O12 Mo3 O6 73.98(15) 2_553 . ?
O13 Mo4 O13 106.6(3) . 2_553 ?
O13 Mo4 O11 102.8(2) . 2_553 ?
O13 Mo4 O11 105.0(2) 2_553 2_553 ?
O13 Mo4 O11 105.0(2) . . ?
O13 Mo4 O11 102.8(2) 2_553 . ?
O11 Mo4 O11 132.6(2) 2_553 . ?
O8 Mo5 O7 105.9(2) . . ?
O8 Mo5 O6 111.5(2) . . ?
O7 Mo5 O6 110.1(2) . . ?
O8 Mo5 O12 107.84(18) . . ?
O7 Mo5 O12 110.26(18) . . ?
O6 Mo5 O12 111.17(19) . . ?
N4 C16 N5 125.0(4) . . ?
N4 C16 C32 116.3(4) . . ?
N5 C16 C32 118.7(4) . . ?
C45 C22 C42 118.7(5) . . ?
N2 C24 C50 123.1(5) . . ?
N11 C25 N10 125.1(4) . . ?
N11 C25 C38 118.9(4) . . ?
N10 C25 C38 116.0(4) . . ?
C47 C26 C43 118.2(5) . . ?
C32 C28 C46 118.8(5) . . ?
N7 C29 C30 123.5(4) . . ?
C29 C30 C38 118.5(4) . . ?
C28 C32 C41 118.4(5) . . ?
C28 C32 C16 122.1(4) . . ?
C41 C32 C16 119.5(4) . . ?
N4 C34 N6 124.8(4) . . ?
N4 C34 C40 116.9(4) . . ?
N6 C34 C40 118.3(4) . . ?
C59 C35 C57 118.9(5) . . ?
N8 C36 C44 123.3(5) . . ?
N11 C37 N12 124.7(4) . . ?
N11 C37 C42 117.4(4) . . ?
N12 C37 C42 117.9(4) . . ?
C30 C38 C52 118.8(4) . . ?
C30 C38 C25 118.8(4) . . ?
C52 C38 C25 122.4(4) . . ?
N12 C39 N10 125.0(4) . . ?
N12 C39 C57 117.7(4) . . ?
N10 C39 C57 117.4(4) . . ?
C55 C40 C54 119.0(5) . . ?
C55 C40 C34 121.5(5) . . ?
C54 C40 C34 119.5(5) . . ?
C48 C41 C32 118.9(5) . . ?
C44 C42 C22 118.9(4) . . ?
C44 C42 C37 120.2(4) . . ?
C22 C42 C37 120.9(4) . . ?
N2 C43 C26 123.7(5) . . ?
C42 C44 C36 118.8(4) . . ?
N8 C45 C22 122.8(5) . . ?
N1 C46 C28 123.3(5) . . ?
C50 C47 C26 118.4(4) . . ?
C50 C47 C49 121.0(4) . . ?
C26 C47 C49 120.5(4) . . ?
N1 C48 C41 123.6(5) . . ?
N5 C49 N6 125.2(4) . . ?
N5 C49 C47 117.1(4) . . ?
N6 C49 C47 117.8(4) . . ?
C24 C50 C47 119.2(5) . . ?
N9 C51 C58 123.8(5) . . ?
C53 C52 C38 118.2(5) . . ?
N7 C53 C52 123.9(5) . . ?
C60 C54 C40 118.9(5) . . ?
C40 C55 C56 117.6(5) . . ?
N3 C56 C55 124.5(5) . . ?
C58 C57 C35 118.6(5) . . ?
C58 C57 C39 119.5(4) . . ?
C35 C57 C39 121.9(5) . . ?
C57 C58 C51 118.6(5) . . ?
N9 C59 C35 123.0(5) . . ?
N3 C60 C54 123.3(5) . . ?
C46 N1 C48 117.0(4) . . ?
C46 N1 Ag1 122.7(3) . . ?
C48 N1 Ag1 120.0(3) . . ?
C43 N2 C24 117.3(4) . . ?
C43 N2 Ag1 122.1(3) . 3_545 ?
C24 N2 Ag1 120.6(3) . 3_545 ?
C56 N3 C60 116.5(5) . . ?
C56 N3 Ag2 127.8(4) . . ?
C60 N3 Ag2 114.5(3) . . ?
C16 N4 C34 115.6(4) . . ?
C49 N5 C16 114.4(4) . . ?
C34 N6 C49 114.9(4) . . ?
C29 N7 C53 116.9(4) . . ?
C29 N7 Ag2 114.8(3) . . ?
C53 N7 Ag2 127.4(3) . . ?
C45 N8 C36 117.6(4) . . ?
C45 N8 Ag2 127.1(3) . 3 ?
C36 N8 Ag2 115.3(3) . 3 ?
C51 N9 C59 117.1(5) . . ?
C51 N9 Ag1 112.6(4) . 1_656 ?
C59 N9 Ag1 130.1(4) . 1_656 ?
C39 N10 C25 115.0(4) . . ?
C25 N11 C37 115.1(4) . . ?
C39 N12 C37 114.8(4) . . ?
Mo1 O2 Mo2 136.7(2) . . ?
Mo2 O5 Mo3 121.2(2) . . ?
Mo5 O6 Mo2 141.3(2) . . ?
Mo5 O6 Mo3 128.9(2) . . ?
Mo2 O6 Mo3 88.99(13) . . ?
Mo5 O7 Mo2 127.7(2) . 2_553 ?
Mo4 O11 Mo3 124.1(2) . . ?
Mo5 O12 Mo3 128.6(2) . 2_553 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         1.845
_refine_diff_density_min         -1.464
_refine_diff_density_rms         0.132
_database_code_depnum_ccdc_archive 'CCDC 956849'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_220K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0572(6)
_cell_length_b                   16.3893(3)
_cell_length_c                   25.6030(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.305(3)
_cell_angle_gamma                90.00
_cell_volume                     8367.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    220.01(10)
_cell_measurement_reflns_used    10252
_cell_measurement_theta_min      3.2270
_cell_measurement_theta_max      29.2790

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.61652
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      220.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18062
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7069
_reflns_number_gt                6118
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0369P)²+43.0711P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7069
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0324
_refine_ls_wR_factor_ref         0.0851
_refine_ls_wR_factor_gt          0.0799
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.155857(19) 0.45773(3) -0.632089(16) 0.02870(11) Uani 1 1 d . . .
Ag2 Ag 0.32294(2) 0.25223(3) -0.132724(17) 0.03221(12) Uani 1 1 d . . .
C17 C 0.1240(2) 0.2573(3) -0.4975(2) 0.0174(10) Uani 1 1 d . . .
C19 C 0.7780(2) 0.6377(3) 0.0093(2) 0.0239(11) Uani 1 1 d . . .
H19A H 0.7989 0.6338 0.0493 0.029 Uiso 1 1 calc R . .
C22 C 0.5976(2) 0.4697(3) 0.0009(2) 0.0168(10) Uani 1 1 d . . .
C23 C 0.2349(2) 0.0647(3) -0.6117(2) 0.0238(11) Uani 1 1 d . . .
H23A H 0.2128 0.0574 -0.6515 0.029 Uiso 1 1 calc R . .
C26 C 0.2979(2) 0.0844(3) -0.4951(2) 0.0197(10) Uani 1 1 d . . .
H26A H 0.3203 0.0890 -0.4551 0.024 Uiso 1 1 calc R . .
C27 C 0.0333(2) 0.3122(3) -0.5889(2) 0.0222(11) Uani 1 1 d . . .
H27A H 0.0548 0.2908 -0.6101 0.027 Uiso 1 1 calc R . .
C30 C 0.0600(2) 0.3024(3) -0.5299(2) 0.0182(10) Uani 1 1 d . . .
C31 C 0.4436(2) 0.3431(3) -0.0352(2) 0.0228(11) Uani 1 1 d . . .
H31A H 0.4234 0.3153 -0.0152 0.027 Uiso 1 1 calc R . .
C32 C 0.5034(2) 0.3835(3) -0.0036(2) 0.0213(10) Uani 1 1 d . . .
H32A H 0.5231 0.3819 0.0366 0.026 Uiso 1 1 calc R . .
C33 C 0.7197(2) 0.6520(3) -0.1078(2) 0.0215(10) Uani 1 1 d . . .
H33A H 0.6995 0.6567 -0.1479 0.026 Uiso 1 1 calc R . .
C35 C 0.2099(2) 0.2271(3) -0.4124(2) 0.0192(10) Uani 1 1 d . . .
C36 C 0.5332(2) 0.4264(3) -0.0331(2) 0.0169(10) Uani 1 1 d . . .
C37 C 0.6792(3) 0.4562(3) 0.1815(2) 0.0298(12) Uani 1 1 d . . .
H37A H 0.6352 0.4383 0.1616 0.036 Uiso 1 1 calc R . .
C38 C 0.2433(2) 0.2377(3) -0.3486(2) 0.0208(10) Uani 1 1 d . . .
C39 C 0.0262(2) 0.3355(3) -0.5002(2) 0.0238(11) Uani 1 1 d . . .
H39A H 0.0435 0.3307 -0.4603 0.029 Uiso 1 1 calc R . .
C40 C 0.6823(2) 0.5519(3) 0.0067(2) 0.0190(10) Uani 1 1 d . . .
C41 C 0.6802(2) 0.5020(3) 0.0881(2) 0.0197(10) Uani 1 1 d . . .
C42 C 0.7154(2) 0.6014(3) -0.0225(2) 0.0180(10) Uani 1 1 d . . .
C43 C 0.6861(2) 0.6094(3) -0.0814(2) 0.0195(10) Uani 1 1 d . . .
H43A H 0.6442 0.5866 -0.1034 0.023 Uiso 1 1 calc R . .
C44 C -0.0264(2) 0.3547(3) -0.6158(2) 0.0248(11) Uani 1 1 d . . .
H44A H -0.0437 0.3626 -0.6556 0.030 Uiso 1 1 calc R . .
C45 C 0.3257(2) 0.0408(3) -0.5260(2) 0.0218(11) Uani 1 1 d . . .
H45A H 0.3678 0.0176 -0.5057 0.026 Uiso 1 1 calc R . .
C46 C -0.0330(2) 0.3755(3) -0.5305(2) 0.0279(12) Uani 1 1 d . . .
H46A H -0.0554 0.3972 -0.5101 0.033 Uiso 1 1 calc R . .
C47 C 0.8083(2) 0.6796(3) -0.0204(2) 0.0250(11) Uani 1 1 d . . .
H47A H 0.8499 0.7037 0.0007 0.030 Uiso 1 1 calc R . .
C48 C 0.2056(2) 0.1724(3) -0.4948(2) 0.0178(10) Uani 1 1 d . . .
C49 C 0.2358(2) 0.1209(3) -0.5254(2) 0.0185(10) Uani 1 1 d . . .
C50 C 0.8073(3) 0.5049(3) 0.2427(2) 0.0312(12) Uani 1 1 d . . .
H50A H 0.8516 0.5214 0.2635 0.037 Uiso 1 1 calc R . .
C51 C 0.2037(2) 0.1103(3) -0.5850(2) 0.0211(10) Uani 1 1 d . . .
H51A H 0.1619 0.1335 -0.6064 0.025 Uiso 1 1 calc R . .
C52 C 0.5023(2) 0.4267(3) -0.0929(2) 0.0248(11) Uani 1 1 d . . .
H52A H 0.5205 0.4557 -0.1140 0.030 Uiso 1 1 calc R . .
C53 C 0.7123(2) 0.4924(3) 0.1519(2) 0.0234(11) Uani 1 1 d . . .
C54 C 0.2158(3) 0.2893(3) -0.3219(2) 0.0286(12) Uani 1 1 d . . .
H54A H 0.1777 0.3196 -0.3437 0.034 Uiso 1 1 calc R . .
C55 C 0.7781(2) 0.5168(3) 0.1834(2) 0.0279(12) Uani 1 1 d . . .
H55A H 0.8022 0.5406 0.1652 0.033 Uiso 1 1 calc R . .
C56 C 0.4438(2) 0.3830(3) -0.1203(2) 0.0274(12) Uani 1 1 d . . .
H56A H 0.4240 0.3819 -0.1605 0.033 Uiso 1 1 calc R . .
C57 C 0.3023(3) 0.1974(3) -0.3150(2) 0.0292(12) Uani 1 1 d . . .
H57A H 0.3236 0.1647 -0.3318 0.035 Uiso 1 1 calc R . .
C58 C 0.3287(3) 0.2072(4) -0.2557(2) 0.0354(13) Uani 1 1 d . . .
H58A H 0.3682 0.1798 -0.2330 0.043 Uiso 1 1 calc R . .
C59 C 0.2458(3) 0.2953(3) -0.2626(2) 0.0315(13) Uani 1 1 d . . .
H59A H 0.2268 0.3300 -0.2450 0.038 Uiso 1 1 calc R . .
C60 C 0.7121(3) 0.4471(4) 0.2403(2) 0.0336(13) Uani 1 1 d . . .
H60A H 0.6891 0.4232 0.2595 0.040 Uiso 1 1 calc R . .
N1 N -0.06049(19) 0.3851(2) -0.58791(17) 0.0223(9) Uani 1 1 d . . .
N2 N 0.29548(19) 0.0303(2) -0.58330(17) 0.0197(9) Uani 1 1 d . . .
N3 N 0.3007(2) 0.2537(3) -0.22900(18) 0.0303(10) Uani 1 1 d . . .
N4 N 0.15324(19) 0.2678(2) -0.44061(17) 0.0199(9) Uani 1 1 d . . .
N5 N 0.14786(19) 0.2102(2) -0.52758(17) 0.0190(9) Uani 1 1 d . . .
N6 N 0.23824(19) 0.1780(2) -0.43718(17) 0.0205(9) Uani 1 1 d . . .
N7 N 0.41356(19) 0.3421(2) -0.09272(17) 0.0223(9) Uani 1 1 d . . .
N8 N 0.7803(2) 0.6870(2) -0.07836(18) 0.0225(9) Uani 1 1 d . . .
N9 N 0.7759(2) 0.4712(3) 0.27169(18) 0.0309(10) Uani 1 1 d . . .
N10 N 0.62276(19) 0.4626(2) 0.05861(17) 0.0212(9) Uani 1 1 d . . .
N11 N 0.62621(18) 0.5114(2) -0.02700(16) 0.0187(8) Uani 1 1 d . . .
N12 N 0.71159(19) 0.5496(2) 0.06475(17) 0.0227(9) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.46104(5) -0.7500 0.03657(18) Uani 1 2 d S . .
Mo2 Mo -0.00140(2) 0.58844(3) -0.639521(17) 0.01958(11) Uani 1 1 d . . .
Mo3 Mo -0.01048(2) 0.79149(3) -0.643654(18) 0.02031(11) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.90531(4) -0.7500 0.03154(17) Uani 1 2 d S . .
Mo5 Mo -0.09155(2) 0.69335(2) -0.791128(18) 0.01883(11) Uani 1 1 d . . .
O1 O 0.0620(3) 0.3976(4) -0.7055(3) 0.102(2) Uani 1 1 d . . .
O2 O -0.03483(19) 0.5136(2) -0.70663(16) 0.0351(9) Uani 1 1 d . . .
O3 O 0.0520(2) 0.5249(2) -0.58721(17) 0.0412(10) Uani 1 1 d . . .
O4 O -0.07364(18) 0.5828(2) -0.63092(16) 0.0373(9) Uani 1 1 d . . .
O5 O 0.03277(18) 0.6900(2) -0.60682(15) 0.0312(9) Uani 1 1 d . . .
O6 O -0.0515(2) 0.6855(2) -0.71402(16) 0.0388(10) Uani 1 1 d . . .
O7 O -0.07527(19) 0.6043(2) -0.82290(17) 0.0389(10) Uani 1 1 d . . .
O8 O -0.17605(18) 0.6994(2) -0.81604(18) 0.0396(10) Uani 1 1 d . . .
O9 O -0.07938(19) 0.7869(3) -0.62948(18) 0.0402(10) Uani 1 1 d . . .
O10 O 0.04075(19) 0.8567(2) -0.59378(17) 0.0403(10) Uani 1 1 d . . .
O11 O -0.04917(19) 0.8586(2) -0.71230(16) 0.0361(9) Uani 1 1 d . . .
O12 O -0.06395(18) 0.7823(2) -0.81537(16) 0.0334(9) Uani 1 1 d . . .
O13 O 0.0569(2) 0.9670(3) -0.70033(18) 0.0493(11) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.256(4) . ?
Ag1 N9 2.283(4) 1_454 ?
Ag1 N2 2.297(4) 3_455 ?
Ag2 N8 2.255(4) 3_445 ?
Ag2 N3 2.299(4) . ?
Ag2 N7 2.338(4) . ?
C17 N4 1.329(6) . ?
C17 N5 1.345(6) . ?
C17 C30 1.493(6) . ?
C19 C47 1.390(7) . ?
C19 C42 1.401(7) . ?
C22 N11 1.327(6) . ?
C22 N10 1.343(6) . ?
C22 C36 1.490(6) . ?
C23 N2 1.342(6) . ?
C23 C51 1.380(7) . ?
C26 C49 1.389(6) . ?
C26 C45 1.387(6) . ?
C27 C30 1.377(7) . ?
C27 C44 1.385(7) . ?
C30 C39 1.380(6) . ?
C31 N7 1.333(6) . ?
C31 C32 1.384(7) . ?
C32 C36 1.386(6) . ?
C33 N8 1.349(6) . ?
C33 C43 1.386(6) . ?
C35 N4 1.326(6) . ?
C35 N6 1.333(6) . ?
C35 C38 1.487(7) . ?
C36 C52 1.387(7) . ?
C37 C60 1.372(7) . ?
C37 C53 1.389(7) . ?
C38 C54 1.379(7) . ?
C38 C57 1.383(7) . ?
C39 C46 1.367(7) . ?
C40 N12 1.343(6) . ?
C40 N11 1.343(6) . ?
C40 C42 1.490(6) . ?
C41 N10 1.332(6) . ?
C41 N12 1.341(6) . ?
C41 C53 1.486(7) . ?
C42 C43 1.371(7) . ?
C44 N1 1.335(6) . ?
C45 N2 1.339(6) . ?
C46 N1 1.338(6) . ?
C47 N8 1.346(6) . ?
C48 N6 1.341(6) . ?
C48 N5 1.340(6) . ?
C48 C49 1.488(6) . ?
C49 C51 1.391(7) . ?
C50 N9 1.334(7) . ?
C50 C55 1.385(7) . ?
C52 C56 1.376(7) . ?
C53 C55 1.385(7) . ?
C54 C59 1.377(7) . ?
C56 N7 1.341(6) . ?
C57 C58 1.385(7) . ?
C58 N3 1.336(7) . ?
C59 N3 1.335(7) . ?
C60 N9 1.348(7) . ?
N2 Ag1 2.297(4) 3_545 ?
N8 Ag2 2.255(4) 3 ?
N9 Ag1 2.283(4) 1_656 ?
Mo1 O1 1.708(5) 2_553 ?
Mo1 O1 1.708(5) . ?
Mo1 O2 1.815(4) . ?
Mo1 O2 1.815(4) 2_553 ?
Mo2 O4 1.702(3) . ?
Mo2 O3 1.709(4) . ?
Mo2 O5 1.871(4) . ?
Mo2 O2 1.979(4) . ?
Mo2 O7 2.290(4) 2_553 ?
Mo2 O6 2.363(4) . ?
Mo3 O10 1.678(4) . ?
Mo3 O9 1.708(4) . ?
Mo3 O11 1.935(4) . ?
Mo3 O5 1.948(4) . ?
Mo3 O12 2.300(3) 2_553 ?
Mo3 O6 2.385(4) . ?
Mo4 O13 1.688(4) . ?
Mo4 O13 1.688(4) 2_553 ?
Mo4 O11 1.894(4) 2_553 ?
Mo4 O11 1.894(4) . ?
Mo5 O8 1.695(3) . ?
Mo5 O7 1.781(4) . ?
Mo5 O6 1.790(4) . ?
Mo5 O12 1.790(4) . ?
O7 Mo2 2.290(4) 2_553 ?
O12 Mo3 2.300(3) 2_553 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 129.46(15) . 1_454 ?
N1 Ag1 N2 123.59(14) . 3_455 ?
N9 Ag1 N2 106.91(15) 1_454 3_455 ?
N8 Ag2 N3 135.46(16) 3_445 . ?
N8 Ag2 N7 122.18(14) 3_445 . ?
N3 Ag2 N7 102.34(15) . . ?
N4 C17 N5 125.2(4) . . ?
N4 C17 C30 116.4(4) . . ?
N5 C17 C30 118.4(4) . . ?
C47 C19 C42 118.6(5) . . ?
N11 C22 N10 124.7(4) . . ?
N11 C22 C36 119.0(4) . . ?
N10 C22 C36 116.3(4) . . ?
N2 C23 C51 123.3(4) . . ?
C49 C26 C45 118.3(4) . . ?
C30 C27 C44 118.3(4) . . ?
C27 C30 C39 118.6(4) . . ?
C27 C30 C17 121.7(4) . . ?
C39 C30 C17 119.7(4) . . ?
N7 C31 C32 123.5(4) . . ?
C31 C32 C36 118.7(4) . . ?
N8 C33 C43 123.3(4) . . ?
N4 C35 N6 124.7(4) . . ?
N4 C35 C38 116.6(4) . . ?
N6 C35 C38 118.7(4) . . ?
C52 C36 C32 118.7(4) . . ?
C52 C36 C22 122.6(4) . . ?
C32 C36 C22 118.7(4) . . ?
C60 C37 C53 119.3(5) . . ?
C54 C38 C57 118.7(5) . . ?
C54 C38 C35 120.0(4) . . ?
C57 C38 C35 121.3(4) . . ?
C46 C39 C30 119.0(4) . . ?
N12 C40 N11 125.0(4) . . ?
N12 C40 C42 117.5(4) . . ?
N11 C40 C42 117.4(4) . . ?
N10 C41 N12 125.3(4) . . ?
N10 C41 C53 117.5(4) . . ?
N12 C41 C53 117.2(4) . . ?
C43 C42 C19 118.8(4) . . ?
C43 C42 C40 120.2(4) . . ?
C19 C42 C40 120.9(4) . . ?
C42 C43 C33 119.1(4) . . ?
N1 C44 C27 123.6(4) . . ?
N2 C45 C26 123.8(4) . . ?
N1 C46 C39 123.7(4) . . ?
N8 C47 C19 123.0(5) . . ?
N6 C48 N5 125.2(4) . . ?
N6 C48 C49 117.9(4) . . ?
N5 C48 C49 116.9(4) . . ?
C26 C49 C51 118.5(4) . . ?
C26 C49 C48 120.5(4) . . ?
C51 C49 C48 121.0(4) . . ?
N9 C50 C55 124.0(5) . . ?
C23 C51 C49 119.0(4) . . ?
C56 C52 C36 118.2(4) . . ?
C55 C53 C37 118.1(5) . . ?
C55 C53 C41 119.9(4) . . ?
C37 C53 C41 122.0(4) . . ?
C38 C54 C59 119.0(5) . . ?
C50 C55 C53 118.6(5) . . ?
N7 C56 C52 124.1(5) . . ?
C58 C57 C38 118.0(5) . . ?
N3 C58 C57 123.9(5) . . ?
N3 C59 C54 123.4(5) . . ?
N9 C60 C37 123.4(5) . . ?
C46 N1 C44 116.7(4) . . ?
C46 N1 Ag1 120.1(3) . . ?
C44 N1 Ag1 123.1(3) . . ?
C23 N2 C45 117.1(4) . . ?
C23 N2 Ag1 120.7(3) . 3_545 ?
C45 N2 Ag1 122.2(3) . 3_545 ?
C59 N3 C58 116.9(4) . . ?
C59 N3 Ag2 114.5(3) . . ?
C58 N3 Ag2 127.5(4) . . ?
C17 N4 C35 115.7(4) . . ?
C48 N5 C17 114.0(4) . . ?
C35 N6 C48 115.1(4) . . ?
C31 N7 C56 116.8(4) . . ?
C31 N7 Ag2 114.9(3) . . ?
C56 N7 Ag2 127.5(3) . . ?
C47 N8 C33 117.2(4) . . ?
C47 N8 Ag2 127.3(3) . 3 ?
C33 N8 Ag2 115.5(3) . 3 ?
C50 N9 C60 116.6(4) . . ?
C50 N9 Ag1 112.4(3) . 1_656 ?
C60 N9 Ag1 130.9(3) . 1_656 ?
C41 N10 C22 115.3(4) . . ?
C22 N11 C40 115.3(4) . . ?
C41 N12 C40 114.3(4) . . ?
O1 Mo1 O1 105.0(5) 2_553 . ?
O1 Mo1 O2 105.7(2) 2_553 . ?
O1 Mo1 O2 107.9(2) . . ?
O1 Mo1 O2 107.9(2) 2_553 2_553 ?
O1 Mo1 O2 105.7(2) . 2_553 ?
O2 Mo1 O2 123.4(2) . 2_553 ?
O4 Mo2 O3 103.65(19) . . ?
O4 Mo2 O5 102.17(17) . . ?
O3 Mo2 O5 100.42(18) . . ?
O4 Mo2 O2 93.24(17) . . ?
O3 Mo2 O2 100.29(18) . . ?
O5 Mo2 O2 150.38(15) . . ?
O4 Mo2 O7 163.95(16) . 2_553 ?
O3 Mo2 O7 90.71(16) . 2_553 ?
O5 Mo2 O7 81.88(15) . 2_553 ?
O2 Mo2 O7 76.91(15) . 2_553 ?
O4 Mo2 O6 90.04(17) . . ?
O3 Mo2 O6 166.10(17) . . ?
O5 Mo2 O6 73.88(14) . . ?
O2 Mo2 O6 81.05(14) . . ?
O7 Mo2 O6 76.05(14) 2_553 . ?
O10 Mo3 O9 103.73(19) . . ?
O10 Mo3 O11 102.77(19) . . ?
O9 Mo3 O11 97.54(18) . . ?
O10 Mo3 O5 98.30(18) . . ?
O9 Mo3 O5 98.93(17) . . ?
O11 Mo3 O5 149.24(15) . . ?
O10 Mo3 O12 90.52(16) . 2_553 ?
O9 Mo3 O12 165.27(17) . 2_553 ?
O11 Mo3 O12 75.32(14) . 2_553 ?
O5 Mo3 O12 82.39(14) . 2_553 ?
O10 Mo3 O6 162.40(17) . . ?
O9 Mo3 O6 92.52(17) . . ?
O11 Mo3 O6 81.40(14) . . ?
O5 Mo3 O6 72.11(14) . . ?
O12 Mo3 O6 73.84(14) 2_553 . ?
O13 Mo4 O13 106.4(3) . 2_553 ?
O13 Mo4 O11 102.84(19) . 2_553 ?
O13 Mo4 O11 105.16(19) 2_553 2_553 ?
O13 Mo4 O11 105.16(19) . . ?
O13 Mo4 O11 102.84(19) 2_553 . ?
O11 Mo4 O11 132.3(2) 2_553 . ?
O8 Mo5 O7 106.23(19) . . ?
O8 Mo5 O6 111.4(2) . . ?
O7 Mo5 O6 110.09(18) . . ?
O8 Mo5 O12 107.72(17) . . ?
O7 Mo5 O12 110.15(17) . . ?
O6 Mo5 O12 111.12(18) . . ?
Mo1 O2 Mo2 136.6(2) . . ?
Mo2 O5 Mo3 121.51(19) . . ?
Mo5 O6 Mo2 141.2(2) . . ?
Mo5 O6 Mo3 129.01(19) . . ?
Mo2 O6 Mo3 89.15(13) . . ?
Mo5 O7 Mo2 127.88(19) . 2_553 ?
Mo4 O11 Mo3 124.5(2) . . ?
Mo5 O12 Mo3 128.78(19) . 2_553 ?

_diffrn_measured_fraction_theta_max 0.957
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.957
_refine_diff_density_max         1.400
_refine_diff_density_min         -1.362
_refine_diff_density_rms         0.120
_database_code_depnum_ccdc_archive 'CCDC 956850'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_250K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0466(6)
_cell_length_b                   16.4250(3)
_cell_length_c                   25.5931(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.293(3)
_cell_angle_gamma                90.00
_cell_volume                     8379.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    250.01(10)
_cell_measurement_reflns_used    9835
_cell_measurement_theta_min      3.2240
_cell_measurement_theta_max      29.0010

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.62249
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      250.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18108
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7080
_reflns_number_gt                6049
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0431P)²+47.7731P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7080
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0945
_refine_ls_wR_factor_gt          0.0879
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.15576(2) 0.45767(3) -0.632155(18) 0.03244(13) Uani 1 1 d . . .
Ag2 Ag 0.32285(2) 0.25273(3) -0.132791(18) 0.03648(13) Uani 1 1 d . . .
C17 C 0.7779(3) 0.6376(3) 0.0091(2) 0.0261(12) Uani 1 1 d . . .
H17A H 0.7988 0.6338 0.0492 0.031 Uiso 1 1 calc R . .
C20 C 0.1237(2) 0.2569(3) -0.4979(2) 0.0193(11) Uani 1 1 d . . .
C21 C 0.5977(2) 0.4704(3) 0.0006(2) 0.0196(11) Uani 1 1 d . . .
C23 C 0.0600(2) 0.3022(3) -0.5301(2) 0.0202(11) Uani 1 1 d . . .
C25 C 0.2977(2) 0.0842(3) -0.4954(2) 0.0222(11) Uani 1 1 d . . .
H25A H 0.3200 0.0886 -0.4554 0.027 Uiso 1 1 calc R . .
C26 C 0.2351(3) 0.0648(3) -0.6118(2) 0.0259(12) Uani 1 1 d . . .
H26A H 0.2132 0.0578 -0.6516 0.031 Uiso 1 1 calc R . .
C27 C 0.4439(3) 0.3432(3) -0.0356(2) 0.0257(12) Uani 1 1 d . . .
H27A H 0.4241 0.3148 -0.0156 0.031 Uiso 1 1 calc R . .
C28 C 0.0331(3) 0.3117(3) -0.5891(2) 0.0265(12) Uani 1 1 d . . .
H28A H 0.0544 0.2900 -0.6104 0.032 Uiso 1 1 calc R . .
C29 C 0.5331(2) 0.4265(3) -0.0333(2) 0.0181(10) Uani 1 1 d . . .
C31 C 0.5035(3) 0.3840(3) -0.0040(2) 0.0242(11) Uani 1 1 d . . .
H31A H 0.5230 0.3827 0.0362 0.029 Uiso 1 1 calc R . .
C33 C 0.6826(2) 0.5520(3) 0.0066(2) 0.0203(11) Uani 1 1 d . . .
C35 C 0.7199(2) 0.6519(3) -0.1080(2) 0.0250(12) Uani 1 1 d . . .
H35A H 0.6999 0.6560 -0.1481 0.030 Uiso 1 1 calc R . .
C37 C 0.2100(2) 0.2269(3) -0.4122(2) 0.0224(11) Uani 1 1 d . . .
C38 C 0.6793(3) 0.4561(4) 0.1810(2) 0.0341(14) Uani 1 1 d . . .
H38A H 0.6354 0.4382 0.1609 0.041 Uiso 1 1 calc R . .
C39 C 0.6801(2) 0.5021(3) 0.0879(2) 0.0218(11) Uani 1 1 d . . .
C40 C 0.7154(2) 0.6014(3) -0.0226(2) 0.0194(11) Uani 1 1 d . . .
C41 C 0.0260(3) 0.3356(3) -0.5004(2) 0.0266(12) Uani 1 1 d . . .
H41A H 0.0431 0.3308 -0.4604 0.032 Uiso 1 1 calc R . .
C42 C 0.2434(2) 0.2374(3) -0.3488(2) 0.0233(11) Uani 1 1 d . . .
C43 C 0.6860(2) 0.6099(3) -0.0816(2) 0.0218(11) Uani 1 1 d . . .
H43A H 0.6439 0.5877 -0.1036 0.026 Uiso 1 1 calc R . .
C44 C 0.2054(2) 0.1723(3) -0.4952(2) 0.0206(11) Uani 1 1 d . . .
C45 C 0.2359(2) 0.1209(3) -0.5256(2) 0.0198(11) Uani 1 1 d . . .
C46 C -0.0267(3) 0.3545(3) -0.6163(2) 0.0273(12) Uani 1 1 d . . .
H46A H -0.0439 0.3626 -0.6560 0.033 Uiso 1 1 calc R . .
C47 C -0.0330(3) 0.3756(4) -0.5309(2) 0.0317(13) Uani 1 1 d . . .
H47A H -0.0553 0.3978 -0.5105 0.038 Uiso 1 1 calc R . .
C48 C 0.3257(3) 0.0410(3) -0.5259(2) 0.0245(11) Uani 1 1 d . . .
H48A H 0.3679 0.0180 -0.5056 0.029 Uiso 1 1 calc R . .
C49 C 0.8080(3) 0.6794(3) -0.0210(2) 0.0284(12) Uani 1 1 d . . .
H49A H 0.8497 0.7033 0.0001 0.034 Uiso 1 1 calc R . .
C50 C 0.2038(3) 0.1101(3) -0.5849(2) 0.0248(12) Uani 1 1 d . . .
H50A H 0.1618 0.1330 -0.6064 0.030 Uiso 1 1 calc R . .
C51 C 0.7123(3) 0.4924(3) 0.1517(2) 0.0249(12) Uani 1 1 d . . .
C52 C 0.8075(3) 0.5047(4) 0.2425(3) 0.0352(14) Uani 1 1 d . . .
H52A H 0.8518 0.5210 0.2634 0.042 Uiso 1 1 calc R . .
C53 C 0.5021(3) 0.4272(3) -0.0931(2) 0.0263(12) Uani 1 1 d . . .
H53A H 0.5202 0.4565 -0.1141 0.032 Uiso 1 1 calc R . .
C54 C 0.4439(3) 0.3834(4) -0.1205(2) 0.0309(13) Uani 1 1 d . . .
H54A H 0.4242 0.3822 -0.1607 0.037 Uiso 1 1 calc R . .
C55 C 0.7782(3) 0.5169(3) 0.1832(2) 0.0299(12) Uani 1 1 d . . .
H55A H 0.8023 0.5409 0.1649 0.036 Uiso 1 1 calc R . .
C56 C 0.3284(3) 0.2075(4) -0.2559(2) 0.0388(15) Uani 1 1 d . . .
H56A H 0.3679 0.1802 -0.2332 0.047 Uiso 1 1 calc R . .
C57 C 0.2157(3) 0.2893(4) -0.3220(2) 0.0318(13) Uani 1 1 d . . .
H57A H 0.1774 0.3195 -0.3437 0.038 Uiso 1 1 calc R . .
C58 C 0.3023(3) 0.1973(4) -0.3150(2) 0.0319(13) Uani 1 1 d . . .
H58A H 0.3237 0.1645 -0.3316 0.038 Uiso 1 1 calc R . .
C59 C 0.2459(3) 0.2950(4) -0.2630(3) 0.0355(14) Uani 1 1 d . . .
H59A H 0.2269 0.3299 -0.2454 0.043 Uiso 1 1 calc R . .
C60 C 0.7118(3) 0.4465(4) 0.2402(2) 0.0366(15) Uani 1 1 d . . .
H60A H 0.6888 0.4223 0.2593 0.044 Uiso 1 1 calc R . .
N1 N -0.0606(2) 0.3848(3) -0.58801(19) 0.0258(10) Uani 1 1 d . . .
N2 N 0.2954(2) 0.0305(3) -0.58329(19) 0.0242(10) Uani 1 1 d . . .
N3 N 0.3006(2) 0.2539(3) -0.2293(2) 0.0346(12) Uani 1 1 d . . .
N4 N 0.1532(2) 0.2679(3) -0.44084(18) 0.0229(9) Uani 1 1 d . . .
N5 N 0.1479(2) 0.2103(3) -0.52785(18) 0.0222(9) Uani 1 1 d . . .
N6 N 0.2382(2) 0.1777(3) -0.43725(18) 0.0228(10) Uani 1 1 d . . .
N7 N 0.4136(2) 0.3423(3) -0.09292(19) 0.0253(10) Uani 1 1 d . . .
N8 N 0.7801(2) 0.6871(3) -0.07858(19) 0.0255(10) Uani 1 1 d . . .
N9 N 0.7759(2) 0.4711(3) 0.2715(2) 0.0340(11) Uani 1 1 d . . .
N10 N 0.6228(2) 0.4627(3) 0.05860(18) 0.0237(10) Uani 1 1 d . . .
N11 N 0.62620(19) 0.5116(3) -0.02706(18) 0.0203(9) Uani 1 1 d . . .
N12 N 0.7114(2) 0.5496(3) 0.06446(19) 0.0247(10) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.46178(5) -0.7500 0.0398(2) Uani 1 2 d S . .
Mo2 Mo -0.00138(2) 0.58877(3) -0.639485(18) 0.02191(12) Uani 1 1 d . . .
Mo3 Mo -0.01017(2) 0.79143(3) -0.643533(19) 0.02286(12) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.90576(5) -0.7500 0.03549(19) Uani 1 2 d S . .
Mo5 Mo -0.09163(2) 0.69331(3) -0.791032(19) 0.02132(12) Uani 1 1 d . . .
O1 O 0.0617(4) 0.3984(4) -0.7061(3) 0.114(3) Uani 1 1 d . . .
O2 O -0.0346(2) 0.5138(2) -0.70659(17) 0.0384(10) Uani 1 1 d . . .
O3 O 0.0519(2) 0.5253(3) -0.58705(19) 0.0472(11) Uani 1 1 d . . .
O4 O -0.0736(2) 0.5829(3) -0.63092(18) 0.0414(10) Uani 1 1 d . . .
O5 O 0.0328(2) 0.6900(2) -0.60657(17) 0.0361(10) Uani 1 1 d . . .
O6 O -0.0513(2) 0.6855(3) -0.71409(17) 0.0441(11) Uani 1 1 d . . .
O7 O -0.0753(2) 0.6043(3) -0.82277(19) 0.0429(11) Uani 1 1 d . . .
O8 O -0.1764(2) 0.6988(3) -0.8162(2) 0.0451(11) Uani 1 1 d . . .
O9 O -0.0791(2) 0.7872(3) -0.6297(2) 0.0465(11) Uani 1 1 d . . .
O10 O 0.0410(2) 0.8560(3) -0.59333(19) 0.0464(11) Uani 1 1 d . . .
O11 O -0.0489(2) 0.8585(3) -0.71219(18) 0.0415(10) Uani 1 1 d . . .
O12 O -0.0643(2) 0.7821(2) -0.81551(18) 0.0376(10) Uani 1 1 d . . .
O13 O 0.0571(3) 0.9667(3) -0.7004(2) 0.0582(13) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.255(4) . ?
Ag1 N9 2.286(5) 1_454 ?
Ag1 N2 2.303(4) 3_455 ?
Ag2 N8 2.257(4) 3_445 ?
Ag2 N3 2.303(5) . ?
Ag2 N7 2.338(4) . ?
C17 C49 1.394(7) . ?
C17 C40 1.398(7) . ?
C20 N4 1.334(6) . ?
C20 N5 1.345(6) . ?
C20 C23 1.487(7) . ?
C21 N11 1.317(6) . ?
C21 N10 1.349(6) . ?
C21 C29 1.498(7) . ?
C23 C28 1.375(7) . ?
C23 C41 1.389(7) . ?
C25 C48 1.381(7) . ?
C25 C45 1.386(7) . ?
C26 N2 1.338(7) . ?
C26 C50 1.381(7) . ?
C27 N7 1.326(7) . ?
C27 C31 1.386(7) . ?
C28 C46 1.389(7) . ?
C29 C31 1.378(7) . ?
C29 C53 1.383(7) . ?
C33 N12 1.340(7) . ?
C33 N11 1.347(6) . ?
C33 C40 1.482(7) . ?
C35 N8 1.346(7) . ?
C35 C43 1.387(7) . ?
C37 N4 1.332(6) . ?
C37 N6 1.337(6) . ?
C37 C42 1.478(7) . ?
C38 C60 1.380(8) . ?
C38 C51 1.382(7) . ?
C39 N10 1.330(6) . ?
C39 N12 1.341(6) . ?
C39 C51 1.485(7) . ?
C40 C43 1.373(7) . ?
C41 C47 1.367(7) . ?
C42 C58 1.382(7) . ?
C42 C57 1.389(7) . ?
C44 N5 1.337(7) . ?
C44 N6 1.347(7) . ?
C44 C45 1.489(7) . ?
C45 C50 1.386(7) . ?
C46 N1 1.339(6) . ?
C47 N1 1.330(7) . ?
C48 N2 1.339(7) . ?
C49 N8 1.339(7) . ?
C51 C55 1.387(7) . ?
C52 N9 1.336(7) . ?
C52 C55 1.388(8) . ?
C53 C54 1.373(7) . ?
C54 N7 1.343(7) . ?
C56 N3 1.333(7) . ?
C56 C58 1.380(8) . ?
C57 C59 1.368(8) . ?
C59 N3 1.330(8) . ?
C60 N9 1.354(7) . ?
N2 Ag1 2.303(4) 3_545 ?
N8 Ag2 2.257(4) 3 ?
N9 Ag1 2.286(5) 1_656 ?
Mo1 O1 1.700(6) 2_553 ?
Mo1 O1 1.700(6) . ?
Mo1 O2 1.808(4) 2_553 ?
Mo1 O2 1.808(4) . ?
Mo2 O4 1.700(4) . ?
Mo2 O3 1.709(4) . ?
Mo2 O5 1.871(4) . ?
Mo2 O2 1.982(4) . ?
Mo2 O7 2.291(4) 2_553 ?
Mo2 O6 2.363(4) . ?
Mo3 O10 1.676(4) . ?
Mo3 O9 1.703(4) . ?
Mo3 O11 1.936(4) . ?
Mo3 O5 1.950(4) . ?
Mo3 O12 2.300(4) 2_553 ?
Mo3 O6 2.390(4) . ?
Mo4 O13 1.684(5) . ?
Mo4 O13 1.684(5) 2_553 ?
Mo4 O11 1.895(4) 2_553 ?
Mo4 O11 1.895(4) . ?
Mo5 O8 1.699(4) . ?
Mo5 O7 1.782(4) . ?
Mo5 O6 1.786(4) . ?
Mo5 O12 1.789(4) . ?
O7 Mo2 2.291(4) 2_553 ?
O12 Mo3 2.300(4) 2_553 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 129.44(17) . 1_454 ?
N1 Ag1 N2 123.66(16) . 3_455 ?
N9 Ag1 N2 106.85(16) 1_454 3_455 ?
N8 Ag2 N3 135.23(17) 3_445 . ?
N8 Ag2 N7 122.45(16) 3_445 . ?
N3 Ag2 N7 102.30(16) . . ?
C49 C17 C40 118.2(5) . . ?
N4 C20 N5 125.1(4) . . ?
N4 C20 C23 116.2(4) . . ?
N5 C20 C23 118.7(4) . . ?
N11 C21 N10 125.0(4) . . ?
N11 C21 C29 119.2(4) . . ?
N10 C21 C29 115.8(4) . . ?
C28 C23 C41 118.3(5) . . ?
C28 C23 C20 121.9(4) . . ?
C41 C23 C20 119.8(4) . . ?
C48 C25 C45 118.7(5) . . ?
N2 C26 C50 123.2(5) . . ?
N7 C27 C31 123.7(5) . . ?
C23 C28 C46 118.7(5) . . ?
C31 C29 C53 118.7(5) . . ?
C31 C29 C21 118.8(4) . . ?
C53 C29 C21 122.5(4) . . ?
C29 C31 C27 118.6(5) . . ?
N12 C33 N11 124.3(4) . . ?
N12 C33 C40 118.0(4) . . ?
N11 C33 C40 117.7(4) . . ?
N8 C35 C43 123.3(5) . . ?
N4 C37 N6 124.2(5) . . ?
N4 C37 C42 117.0(4) . . ?
N6 C37 C42 118.7(4) . . ?
C60 C38 C51 119.9(5) . . ?
N10 C39 N12 125.2(5) . . ?
N10 C39 C51 117.4(4) . . ?
N12 C39 C51 117.4(4) . . ?
C43 C40 C17 118.7(4) . . ?
C43 C40 C33 120.4(4) . . ?
C17 C40 C33 120.8(4) . . ?
C47 C41 C23 118.8(5) . . ?
C58 C42 C57 118.5(5) . . ?
C58 C42 C37 121.7(5) . . ?
C57 C42 C37 119.8(5) . . ?
C40 C43 C35 119.3(5) . . ?
N5 C44 N6 125.3(4) . . ?
N5 C44 C45 117.2(4) . . ?
N6 C44 C45 117.5(4) . . ?
C25 C45 C50 118.4(4) . . ?
C25 C45 C44 120.8(5) . . ?
C50 C45 C44 120.8(4) . . ?
N1 C46 C28 123.1(5) . . ?
N1 C47 C41 124.0(5) . . ?
N2 C48 C25 123.5(5) . . ?
N8 C49 C17 123.5(5) . . ?
C26 C50 C45 119.0(5) . . ?
C38 C51 C55 118.3(5) . . ?
C38 C51 C39 121.9(5) . . ?
C55 C51 C39 119.7(5) . . ?
N9 C52 C55 124.0(5) . . ?
C54 C53 C29 118.3(5) . . ?
N7 C54 C53 124.0(5) . . ?
C51 C55 C52 118.3(5) . . ?
N3 C56 C58 124.1(5) . . ?
C59 C57 C42 118.5(5) . . ?
C56 C58 C42 118.0(5) . . ?
N3 C59 C57 124.1(5) . . ?
N9 C60 C38 122.4(5) . . ?
C47 N1 C46 116.9(4) . . ?
C47 N1 Ag1 120.1(3) . . ?
C46 N1 Ag1 122.8(3) . . ?
C48 N2 C26 117.2(4) . . ?
C48 N2 Ag1 122.2(3) . 3_545 ?
C26 N2 Ag1 120.6(3) . 3_545 ?
C59 N3 C56 116.5(5) . . ?
C59 N3 Ag2 114.7(4) . . ?
C56 N3 Ag2 127.5(4) . . ?
C37 N4 C20 115.9(4) . . ?
C44 N5 C20 114.2(4) . . ?
C37 N6 C44 115.2(4) . . ?
C27 N7 C54 116.6(4) . . ?
C27 N7 Ag2 114.9(3) . . ?
C54 N7 Ag2 127.7(4) . . ?
C49 N8 C35 117.1(4) . . ?
C49 N8 Ag2 127.3(3) . 3 ?
C35 N8 Ag2 115.6(3) . 3 ?
C52 N9 C60 117.0(5) . . ?
C52 N9 Ag1 112.3(4) . 1_656 ?
C60 N9 Ag1 130.5(4) . 1_656 ?
C39 N10 C21 114.8(4) . . ?
C21 N11 C33 115.6(4) . . ?
C39 N12 C33 114.9(4) . . ?
O1 Mo1 O1 104.5(6) 2_553 . ?
O1 Mo1 O2 108.2(3) 2_553 2_553 ?
O1 Mo1 O2 105.4(2) . 2_553 ?
O1 Mo1 O2 105.4(2) 2_553 . ?
O1 Mo1 O2 108.2(3) . . ?
O2 Mo1 O2 123.6(3) 2_553 . ?
O4 Mo2 O3 103.4(2) . . ?
O4 Mo2 O5 102.23(19) . . ?
O3 Mo2 O5 100.3(2) . . ?
O4 Mo2 O2 93.26(18) . . ?
O3 Mo2 O2 100.2(2) . . ?
O5 Mo2 O2 150.57(17) . . ?
O4 Mo2 O7 163.88(18) . 2_553 ?
O3 Mo2 O7 90.92(18) . 2_553 ?
O5 Mo2 O7 82.10(16) . 2_553 ?
O2 Mo2 O7 76.70(16) . 2_553 ?
O4 Mo2 O6 90.19(19) . . ?
O3 Mo2 O6 166.21(19) . . ?
O5 Mo2 O6 74.05(16) . . ?
O2 Mo2 O6 81.10(16) . . ?
O7 Mo2 O6 75.95(15) 2_553 . ?
O10 Mo3 O9 103.6(2) . . ?
O10 Mo3 O11 103.1(2) . . ?
O9 Mo3 O11 97.2(2) . . ?
O10 Mo3 O5 98.1(2) . . ?
O9 Mo3 O5 99.0(2) . . ?
O11 Mo3 O5 149.40(16) . . ?
O10 Mo3 O12 90.81(17) . 2_553 ?
O9 Mo3 O12 165.09(19) . 2_553 ?
O11 Mo3 O12 75.40(16) . 2_553 ?
O5 Mo3 O12 82.53(15) . 2_553 ?
O10 Mo3 O6 162.52(19) . . ?
O9 Mo3 O6 92.43(19) . . ?
O11 Mo3 O6 81.40(16) . . ?
O5 Mo3 O6 72.16(16) . . ?
O12 Mo3 O6 73.83(16) 2_553 . ?
O13 Mo4 O13 107.0(4) . 2_553 ?
O13 Mo4 O11 103.0(2) . 2_553 ?
O13 Mo4 O11 105.3(2) 2_553 2_553 ?
O13 Mo4 O11 105.3(2) . . ?
O13 Mo4 O11 103.0(2) 2_553 . ?
O11 Mo4 O11 131.6(2) 2_553 . ?
O8 Mo5 O7 106.0(2) . . ?
O8 Mo5 O6 111.8(2) . . ?
O7 Mo5 O6 110.0(2) . . ?
O8 Mo5 O12 107.66(19) . . ?
O7 Mo5 O12 110.16(18) . . ?
O6 Mo5 O12 111.2(2) . . ?
Mo1 O2 Mo2 136.8(2) . . ?
Mo2 O5 Mo3 121.5(2) . . ?
Mo5 O6 Mo2 141.2(2) . . ?
Mo5 O6 Mo3 129.1(2) . . ?
Mo2 O6 Mo3 89.06(14) . . ?
Mo5 O7 Mo2 127.8(2) . 2_553 ?
Mo4 O11 Mo3 124.8(2) . . ?
Mo5 O12 Mo3 128.8(2) . 2_553 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         1.397
_refine_diff_density_min         -1.318
_refine_diff_density_rms         0.125
_database_code_depnum_ccdc_archive 'CCDC 956851'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
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#  data retrieval see:
#                         www.ccdc.cam.ac.uk
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#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_250K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0466(6)
_cell_length_b                   16.4250(3)
_cell_length_c                   25.5931(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.293(3)
_cell_angle_gamma                90.00
_cell_volume                     8379.2(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    250.01(10)
_cell_measurement_reflns_used    9835
_cell_measurement_theta_min      3.2240
_cell_measurement_theta_max      29.0010

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.158
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.62249
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      250.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18108
_diffrn_reflns_av_R_equivalents  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7080
_reflns_number_gt                6049
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0431P)²+47.7731P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7080
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0348
_refine_ls_wR_factor_ref         0.0945
_refine_ls_wR_factor_gt          0.0879
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_restrained_S_all      1.061
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.15576(2) 0.45767(3) -0.632155(18) 0.03244(13) Uani 1 1 d . . .
Ag2 Ag 0.32285(2) 0.25273(3) -0.132791(18) 0.03648(13) Uani 1 1 d . . .
C17 C 0.7779(3) 0.6376(3) 0.0091(2) 0.0261(12) Uani 1 1 d . . .
H17A H 0.7988 0.6338 0.0492 0.031 Uiso 1 1 calc R . .
C20 C 0.1237(2) 0.2569(3) -0.4979(2) 0.0193(11) Uani 1 1 d . . .
C21 C 0.5977(2) 0.4704(3) 0.0006(2) 0.0196(11) Uani 1 1 d . . .
C23 C 0.0600(2) 0.3022(3) -0.5301(2) 0.0202(11) Uani 1 1 d . . .
C25 C 0.2977(2) 0.0842(3) -0.4954(2) 0.0222(11) Uani 1 1 d . . .
H25A H 0.3200 0.0886 -0.4554 0.027 Uiso 1 1 calc R . .
C26 C 0.2351(3) 0.0648(3) -0.6118(2) 0.0259(12) Uani 1 1 d . . .
H26A H 0.2132 0.0578 -0.6516 0.031 Uiso 1 1 calc R . .
C27 C 0.4439(3) 0.3432(3) -0.0356(2) 0.0257(12) Uani 1 1 d . . .
H27A H 0.4241 0.3148 -0.0156 0.031 Uiso 1 1 calc R . .
C28 C 0.0331(3) 0.3117(3) -0.5891(2) 0.0265(12) Uani 1 1 d . . .
H28A H 0.0544 0.2900 -0.6104 0.032 Uiso 1 1 calc R . .
C29 C 0.5331(2) 0.4265(3) -0.0333(2) 0.0181(10) Uani 1 1 d . . .
C31 C 0.5035(3) 0.3840(3) -0.0040(2) 0.0242(11) Uani 1 1 d . . .
H31A H 0.5230 0.3827 0.0362 0.029 Uiso 1 1 calc R . .
C33 C 0.6826(2) 0.5520(3) 0.0066(2) 0.0203(11) Uani 1 1 d . . .
C35 C 0.7199(2) 0.6519(3) -0.1080(2) 0.0250(12) Uani 1 1 d . . .
H35A H 0.6999 0.6560 -0.1481 0.030 Uiso 1 1 calc R . .
C37 C 0.2100(2) 0.2269(3) -0.4122(2) 0.0224(11) Uani 1 1 d . . .
C38 C 0.6793(3) 0.4561(4) 0.1810(2) 0.0341(14) Uani 1 1 d . . .
H38A H 0.6354 0.4382 0.1609 0.041 Uiso 1 1 calc R . .
C39 C 0.6801(2) 0.5021(3) 0.0879(2) 0.0218(11) Uani 1 1 d . . .
C40 C 0.7154(2) 0.6014(3) -0.0226(2) 0.0194(11) Uani 1 1 d . . .
C41 C 0.0260(3) 0.3356(3) -0.5004(2) 0.0266(12) Uani 1 1 d . . .
H41A H 0.0431 0.3308 -0.4604 0.032 Uiso 1 1 calc R . .
C42 C 0.2434(2) 0.2374(3) -0.3488(2) 0.0233(11) Uani 1 1 d . . .
C43 C 0.6860(2) 0.6099(3) -0.0816(2) 0.0218(11) Uani 1 1 d . . .
H43A H 0.6439 0.5877 -0.1036 0.026 Uiso 1 1 calc R . .
C44 C 0.2054(2) 0.1723(3) -0.4952(2) 0.0206(11) Uani 1 1 d . . .
C45 C 0.2359(2) 0.1209(3) -0.5256(2) 0.0198(11) Uani 1 1 d . . .
C46 C -0.0267(3) 0.3545(3) -0.6163(2) 0.0273(12) Uani 1 1 d . . .
H46A H -0.0439 0.3626 -0.6560 0.033 Uiso 1 1 calc R . .
C47 C -0.0330(3) 0.3756(4) -0.5309(2) 0.0317(13) Uani 1 1 d . . .
H47A H -0.0553 0.3978 -0.5105 0.038 Uiso 1 1 calc R . .
C48 C 0.3257(3) 0.0410(3) -0.5259(2) 0.0245(11) Uani 1 1 d . . .
H48A H 0.3679 0.0180 -0.5056 0.029 Uiso 1 1 calc R . .
C49 C 0.8080(3) 0.6794(3) -0.0210(2) 0.0284(12) Uani 1 1 d . . .
H49A H 0.8497 0.7033 0.0001 0.034 Uiso 1 1 calc R . .
C50 C 0.2038(3) 0.1101(3) -0.5849(2) 0.0248(12) Uani 1 1 d . . .
H50A H 0.1618 0.1330 -0.6064 0.030 Uiso 1 1 calc R . .
C51 C 0.7123(3) 0.4924(3) 0.1517(2) 0.0249(12) Uani 1 1 d . . .
C52 C 0.8075(3) 0.5047(4) 0.2425(3) 0.0352(14) Uani 1 1 d . . .
H52A H 0.8518 0.5210 0.2634 0.042 Uiso 1 1 calc R . .
C53 C 0.5021(3) 0.4272(3) -0.0931(2) 0.0263(12) Uani 1 1 d . . .
H53A H 0.5202 0.4565 -0.1141 0.032 Uiso 1 1 calc R . .
C54 C 0.4439(3) 0.3834(4) -0.1205(2) 0.0309(13) Uani 1 1 d . . .
H54A H 0.4242 0.3822 -0.1607 0.037 Uiso 1 1 calc R . .
C55 C 0.7782(3) 0.5169(3) 0.1832(2) 0.0299(12) Uani 1 1 d . . .
H55A H 0.8023 0.5409 0.1649 0.036 Uiso 1 1 calc R . .
C56 C 0.3284(3) 0.2075(4) -0.2559(2) 0.0388(15) Uani 1 1 d . . .
H56A H 0.3679 0.1802 -0.2332 0.047 Uiso 1 1 calc R . .
C57 C 0.2157(3) 0.2893(4) -0.3220(2) 0.0318(13) Uani 1 1 d . . .
H57A H 0.1774 0.3195 -0.3437 0.038 Uiso 1 1 calc R . .
C58 C 0.3023(3) 0.1973(4) -0.3150(2) 0.0319(13) Uani 1 1 d . . .
H58A H 0.3237 0.1645 -0.3316 0.038 Uiso 1 1 calc R . .
C59 C 0.2459(3) 0.2950(4) -0.2630(3) 0.0355(14) Uani 1 1 d . . .
H59A H 0.2269 0.3299 -0.2454 0.043 Uiso 1 1 calc R . .
C60 C 0.7118(3) 0.4465(4) 0.2402(2) 0.0366(15) Uani 1 1 d . . .
H60A H 0.6888 0.4223 0.2593 0.044 Uiso 1 1 calc R . .
N1 N -0.0606(2) 0.3848(3) -0.58801(19) 0.0258(10) Uani 1 1 d . . .
N2 N 0.2954(2) 0.0305(3) -0.58329(19) 0.0242(10) Uani 1 1 d . . .
N3 N 0.3006(2) 0.2539(3) -0.2293(2) 0.0346(12) Uani 1 1 d . . .
N4 N 0.1532(2) 0.2679(3) -0.44084(18) 0.0229(9) Uani 1 1 d . . .
N5 N 0.1479(2) 0.2103(3) -0.52785(18) 0.0222(9) Uani 1 1 d . . .
N6 N 0.2382(2) 0.1777(3) -0.43725(18) 0.0228(10) Uani 1 1 d . . .
N7 N 0.4136(2) 0.3423(3) -0.09292(19) 0.0253(10) Uani 1 1 d . . .
N8 N 0.7801(2) 0.6871(3) -0.07858(19) 0.0255(10) Uani 1 1 d . . .
N9 N 0.7759(2) 0.4711(3) 0.2715(2) 0.0340(11) Uani 1 1 d . . .
N10 N 0.6228(2) 0.4627(3) 0.05860(18) 0.0237(10) Uani 1 1 d . . .
N11 N 0.62620(19) 0.5116(3) -0.02706(18) 0.0203(9) Uani 1 1 d . . .
N12 N 0.7114(2) 0.5496(3) 0.06446(19) 0.0247(10) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.46178(5) -0.7500 0.0398(2) Uani 1 2 d S . .
Mo2 Mo -0.00138(2) 0.58877(3) -0.639485(18) 0.02191(12) Uani 1 1 d . . .
Mo3 Mo -0.01017(2) 0.79143(3) -0.643533(19) 0.02286(12) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.90576(5) -0.7500 0.03549(19) Uani 1 2 d S . .
Mo5 Mo -0.09163(2) 0.69331(3) -0.791032(19) 0.02132(12) Uani 1 1 d . . .
O1 O 0.0617(4) 0.3984(4) -0.7061(3) 0.114(3) Uani 1 1 d . . .
O2 O -0.0346(2) 0.5138(2) -0.70659(17) 0.0384(10) Uani 1 1 d . . .
O3 O 0.0519(2) 0.5253(3) -0.58705(19) 0.0472(11) Uani 1 1 d . . .
O4 O -0.0736(2) 0.5829(3) -0.63092(18) 0.0414(10) Uani 1 1 d . . .
O5 O 0.0328(2) 0.6900(2) -0.60657(17) 0.0361(10) Uani 1 1 d . . .
O6 O -0.0513(2) 0.6855(3) -0.71409(17) 0.0441(11) Uani 1 1 d . . .
O7 O -0.0753(2) 0.6043(3) -0.82277(19) 0.0429(11) Uani 1 1 d . . .
O8 O -0.1764(2) 0.6988(3) -0.8162(2) 0.0451(11) Uani 1 1 d . . .
O9 O -0.0791(2) 0.7872(3) -0.6297(2) 0.0465(11) Uani 1 1 d . . .
O10 O 0.0410(2) 0.8560(3) -0.59333(19) 0.0464(11) Uani 1 1 d . . .
O11 O -0.0489(2) 0.8585(3) -0.71219(18) 0.0415(10) Uani 1 1 d . . .
O12 O -0.0643(2) 0.7821(2) -0.81551(18) 0.0376(10) Uani 1 1 d . . .
O13 O 0.0571(3) 0.9667(3) -0.7004(2) 0.0582(13) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.255(4) . ?
Ag1 N9 2.286(5) 1_454 ?
Ag1 N2 2.303(4) 3_455 ?
Ag2 N8 2.257(4) 3_445 ?
Ag2 N3 2.303(5) . ?
Ag2 N7 2.338(4) . ?
C17 C49 1.394(7) . ?
C17 C40 1.398(7) . ?
C20 N4 1.334(6) . ?
C20 N5 1.345(6) . ?
C20 C23 1.487(7) . ?
C21 N11 1.317(6) . ?
C21 N10 1.349(6) . ?
C21 C29 1.498(7) . ?
C23 C28 1.375(7) . ?
C23 C41 1.389(7) . ?
C25 C48 1.381(7) . ?
C25 C45 1.386(7) . ?
C26 N2 1.338(7) . ?
C26 C50 1.381(7) . ?
C27 N7 1.326(7) . ?
C27 C31 1.386(7) . ?
C28 C46 1.389(7) . ?
C29 C31 1.378(7) . ?
C29 C53 1.383(7) . ?
C33 N12 1.340(7) . ?
C33 N11 1.347(6) . ?
C33 C40 1.482(7) . ?
C35 N8 1.346(7) . ?
C35 C43 1.387(7) . ?
C37 N4 1.332(6) . ?
C37 N6 1.337(6) . ?
C37 C42 1.478(7) . ?
C38 C60 1.380(8) . ?
C38 C51 1.382(7) . ?
C39 N10 1.330(6) . ?
C39 N12 1.341(6) . ?
C39 C51 1.485(7) . ?
C40 C43 1.373(7) . ?
C41 C47 1.367(7) . ?
C42 C58 1.382(7) . ?
C42 C57 1.389(7) . ?
C44 N5 1.337(7) . ?
C44 N6 1.347(7) . ?
C44 C45 1.489(7) . ?
C45 C50 1.386(7) . ?
C46 N1 1.339(6) . ?
C47 N1 1.330(7) . ?
C48 N2 1.339(7) . ?
C49 N8 1.339(7) . ?
C51 C55 1.387(7) . ?
C52 N9 1.336(7) . ?
C52 C55 1.388(8) . ?
C53 C54 1.373(7) . ?
C54 N7 1.343(7) . ?
C56 N3 1.333(7) . ?
C56 C58 1.380(8) . ?
C57 C59 1.368(8) . ?
C59 N3 1.330(8) . ?
C60 N9 1.354(7) . ?
N2 Ag1 2.303(4) 3_545 ?
N8 Ag2 2.257(4) 3 ?
N9 Ag1 2.286(5) 1_656 ?
Mo1 O1 1.700(6) 2_553 ?
Mo1 O1 1.700(6) . ?
Mo1 O2 1.808(4) 2_553 ?
Mo1 O2 1.808(4) . ?
Mo2 O4 1.700(4) . ?
Mo2 O3 1.709(4) . ?
Mo2 O5 1.871(4) . ?
Mo2 O2 1.982(4) . ?
Mo2 O7 2.291(4) 2_553 ?
Mo2 O6 2.363(4) . ?
Mo3 O10 1.676(4) . ?
Mo3 O9 1.703(4) . ?
Mo3 O11 1.936(4) . ?
Mo3 O5 1.950(4) . ?
Mo3 O12 2.300(4) 2_553 ?
Mo3 O6 2.390(4) . ?
Mo4 O13 1.684(5) . ?
Mo4 O13 1.684(5) 2_553 ?
Mo4 O11 1.895(4) 2_553 ?
Mo4 O11 1.895(4) . ?
Mo5 O8 1.699(4) . ?
Mo5 O7 1.782(4) . ?
Mo5 O6 1.786(4) . ?
Mo5 O12 1.789(4) . ?
O7 Mo2 2.291(4) 2_553 ?
O12 Mo3 2.300(4) 2_553 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 129.44(17) . 1_454 ?
N1 Ag1 N2 123.66(16) . 3_455 ?
N9 Ag1 N2 106.85(16) 1_454 3_455 ?
N8 Ag2 N3 135.23(17) 3_445 . ?
N8 Ag2 N7 122.45(16) 3_445 . ?
N3 Ag2 N7 102.30(16) . . ?
C49 C17 C40 118.2(5) . . ?
N4 C20 N5 125.1(4) . . ?
N4 C20 C23 116.2(4) . . ?
N5 C20 C23 118.7(4) . . ?
N11 C21 N10 125.0(4) . . ?
N11 C21 C29 119.2(4) . . ?
N10 C21 C29 115.8(4) . . ?
C28 C23 C41 118.3(5) . . ?
C28 C23 C20 121.9(4) . . ?
C41 C23 C20 119.8(4) . . ?
C48 C25 C45 118.7(5) . . ?
N2 C26 C50 123.2(5) . . ?
N7 C27 C31 123.7(5) . . ?
C23 C28 C46 118.7(5) . . ?
C31 C29 C53 118.7(5) . . ?
C31 C29 C21 118.8(4) . . ?
C53 C29 C21 122.5(4) . . ?
C29 C31 C27 118.6(5) . . ?
N12 C33 N11 124.3(4) . . ?
N12 C33 C40 118.0(4) . . ?
N11 C33 C40 117.7(4) . . ?
N8 C35 C43 123.3(5) . . ?
N4 C37 N6 124.2(5) . . ?
N4 C37 C42 117.0(4) . . ?
N6 C37 C42 118.7(4) . . ?
C60 C38 C51 119.9(5) . . ?
N10 C39 N12 125.2(5) . . ?
N10 C39 C51 117.4(4) . . ?
N12 C39 C51 117.4(4) . . ?
C43 C40 C17 118.7(4) . . ?
C43 C40 C33 120.4(4) . . ?
C17 C40 C33 120.8(4) . . ?
C47 C41 C23 118.8(5) . . ?
C58 C42 C57 118.5(5) . . ?
C58 C42 C37 121.7(5) . . ?
C57 C42 C37 119.8(5) . . ?
C40 C43 C35 119.3(5) . . ?
N5 C44 N6 125.3(4) . . ?
N5 C44 C45 117.2(4) . . ?
N6 C44 C45 117.5(4) . . ?
C25 C45 C50 118.4(4) . . ?
C25 C45 C44 120.8(5) . . ?
C50 C45 C44 120.8(4) . . ?
N1 C46 C28 123.1(5) . . ?
N1 C47 C41 124.0(5) . . ?
N2 C48 C25 123.5(5) . . ?
N8 C49 C17 123.5(5) . . ?
C26 C50 C45 119.0(5) . . ?
C38 C51 C55 118.3(5) . . ?
C38 C51 C39 121.9(5) . . ?
C55 C51 C39 119.7(5) . . ?
N9 C52 C55 124.0(5) . . ?
C54 C53 C29 118.3(5) . . ?
N7 C54 C53 124.0(5) . . ?
C51 C55 C52 118.3(5) . . ?
N3 C56 C58 124.1(5) . . ?
C59 C57 C42 118.5(5) . . ?
C56 C58 C42 118.0(5) . . ?
N3 C59 C57 124.1(5) . . ?
N9 C60 C38 122.4(5) . . ?
C47 N1 C46 116.9(4) . . ?
C47 N1 Ag1 120.1(3) . . ?
C46 N1 Ag1 122.8(3) . . ?
C48 N2 C26 117.2(4) . . ?
C48 N2 Ag1 122.2(3) . 3_545 ?
C26 N2 Ag1 120.6(3) . 3_545 ?
C59 N3 C56 116.5(5) . . ?
C59 N3 Ag2 114.7(4) . . ?
C56 N3 Ag2 127.5(4) . . ?
C37 N4 C20 115.9(4) . . ?
C44 N5 C20 114.2(4) . . ?
C37 N6 C44 115.2(4) . . ?
C27 N7 C54 116.6(4) . . ?
C27 N7 Ag2 114.9(3) . . ?
C54 N7 Ag2 127.7(4) . . ?
C49 N8 C35 117.1(4) . . ?
C49 N8 Ag2 127.3(3) . 3 ?
C35 N8 Ag2 115.6(3) . 3 ?
C52 N9 C60 117.0(5) . . ?
C52 N9 Ag1 112.3(4) . 1_656 ?
C60 N9 Ag1 130.5(4) . 1_656 ?
C39 N10 C21 114.8(4) . . ?
C21 N11 C33 115.6(4) . . ?
C39 N12 C33 114.9(4) . . ?
O1 Mo1 O1 104.5(6) 2_553 . ?
O1 Mo1 O2 108.2(3) 2_553 2_553 ?
O1 Mo1 O2 105.4(2) . 2_553 ?
O1 Mo1 O2 105.4(2) 2_553 . ?
O1 Mo1 O2 108.2(3) . . ?
O2 Mo1 O2 123.6(3) 2_553 . ?
O4 Mo2 O3 103.4(2) . . ?
O4 Mo2 O5 102.23(19) . . ?
O3 Mo2 O5 100.3(2) . . ?
O4 Mo2 O2 93.26(18) . . ?
O3 Mo2 O2 100.2(2) . . ?
O5 Mo2 O2 150.57(17) . . ?
O4 Mo2 O7 163.88(18) . 2_553 ?
O3 Mo2 O7 90.92(18) . 2_553 ?
O5 Mo2 O7 82.10(16) . 2_553 ?
O2 Mo2 O7 76.70(16) . 2_553 ?
O4 Mo2 O6 90.19(19) . . ?
O3 Mo2 O6 166.21(19) . . ?
O5 Mo2 O6 74.05(16) . . ?
O2 Mo2 O6 81.10(16) . . ?
O7 Mo2 O6 75.95(15) 2_553 . ?
O10 Mo3 O9 103.6(2) . . ?
O10 Mo3 O11 103.1(2) . . ?
O9 Mo3 O11 97.2(2) . . ?
O10 Mo3 O5 98.1(2) . . ?
O9 Mo3 O5 99.0(2) . . ?
O11 Mo3 O5 149.40(16) . . ?
O10 Mo3 O12 90.81(17) . 2_553 ?
O9 Mo3 O12 165.09(19) . 2_553 ?
O11 Mo3 O12 75.40(16) . 2_553 ?
O5 Mo3 O12 82.53(15) . 2_553 ?
O10 Mo3 O6 162.52(19) . . ?
O9 Mo3 O6 92.43(19) . . ?
O11 Mo3 O6 81.40(16) . . ?
O5 Mo3 O6 72.16(16) . . ?
O12 Mo3 O6 73.83(16) 2_553 . ?
O13 Mo4 O13 107.0(4) . 2_553 ?
O13 Mo4 O11 103.0(2) . 2_553 ?
O13 Mo4 O11 105.3(2) 2_553 2_553 ?
O13 Mo4 O11 105.3(2) . . ?
O13 Mo4 O11 103.0(2) 2_553 . ?
O11 Mo4 O11 131.6(2) 2_553 . ?
O8 Mo5 O7 106.0(2) . . ?
O8 Mo5 O6 111.8(2) . . ?
O7 Mo5 O6 110.0(2) . . ?
O8 Mo5 O12 107.66(19) . . ?
O7 Mo5 O12 110.16(18) . . ?
O6 Mo5 O12 111.2(2) . . ?
Mo1 O2 Mo2 136.8(2) . . ?
Mo2 O5 Mo3 121.5(2) . . ?
Mo5 O6 Mo2 141.2(2) . . ?
Mo5 O6 Mo3 129.1(2) . . ?
Mo2 O6 Mo3 89.06(14) . . ?
Mo5 O7 Mo2 127.8(2) . 2_553 ?
Mo4 O11 Mo3 124.8(2) . . ?
Mo5 O12 Mo3 128.8(2) . 2_553 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         1.397
_refine_diff_density_min         -1.318
_refine_diff_density_rms         0.125
_database_code_depnum_ccdc_archive 'CCDC 956852'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_310K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0290(9)
_cell_length_b                   16.4861(5)
_cell_length_c                   25.5887(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.233(5)
_cell_angle_gamma                90.00
_cell_volume                     8406.4(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    310.01(10)
_cell_measurement_reflns_used    12799
_cell_measurement_theta_min      3.2120
_cell_measurement_theta_max      28.9390

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.151
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49818
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      310.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18128
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_av_sigmaI/netI    0.0366
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7097
_reflns_number_gt                5818
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0600P)²+46.6675P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7097
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0506
_refine_ls_R_factor_gt           0.0397
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.1080
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_restrained_S_all      1.066
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.65573(2) 0.04257(3) -0.63237(2) 0.03999(16) Uani 1 1 d . . .
Ag2 Ag -0.17734(3) 0.24623(4) -0.13295(2) 0.04498(17) Uani 1 1 d . . .
Mo1 Mo -0.5000 0.03701(6) -0.7500 0.0465(2) Uani 1 2 d S . .
Mo2 Mo -0.50130(3) -0.08929(3) -0.63936(2) 0.02673(14) Uani 1 1 d . . .
Mo3 Mo -0.50949(3) -0.29115(3) -0.64324(2) 0.02805(15) Uani 1 1 d . . .
Mo4 Mo -0.5000 -0.40659(6) -0.7500 0.0430(2) Uani 1 2 d S . .
Mo5 Mo -0.59174(2) -0.19309(3) -0.79075(2) 0.02623(14) Uani 1 1 d . . .
C14 C 0.0977(3) 0.0293(3) 0.0003(2) 0.0227(12) Uani 1 1 d . . .
C19 C 0.2775(3) -0.1381(4) 0.0087(3) 0.0320(14) Uani 1 1 d . . .
H19A H 0.2983 -0.1346 0.0488 0.038 Uiso 1 1 calc R . .
C20 C -0.3763(3) 0.2432(3) -0.4985(2) 0.0237(12) Uani 1 1 d . . .
C21 C -0.4402(3) 0.1983(3) -0.5309(2) 0.0235(12) Uani 1 1 d . . .
C22 C -0.2645(3) 0.4356(4) -0.6118(3) 0.0306(14) Uani 1 1 d . . .
H22A H -0.2863 0.4427 -0.6516 0.037 Uiso 1 1 calc R . .
C24 C -0.2022(3) 0.4161(4) -0.4953(3) 0.0267(13) Uani 1 1 d . . .
H24A H -0.1800 0.4121 -0.4553 0.032 Uiso 1 1 calc R . .
C26 C -0.0561(3) 0.1563(4) -0.0358(3) 0.0298(14) Uani 1 1 d . . .
H26A H -0.0761 0.1843 -0.0158 0.036 Uiso 1 1 calc R . .
C28 C 0.2199(3) -0.1527(4) -0.1083(3) 0.0296(14) Uani 1 1 d . . .
H28A H 0.1999 -0.1575 -0.1483 0.036 Uiso 1 1 calc R . .
C29 C -0.4671(3) 0.1881(4) -0.5897(3) 0.0340(15) Uani 1 1 d . . .
H29A H -0.4456 0.2091 -0.6111 0.041 Uiso 1 1 calc R . .
C31 C -0.2902(3) 0.2733(4) -0.4132(2) 0.0247(13) Uani 1 1 d . . .
C32 C 0.0036(3) 0.1158(4) -0.0042(3) 0.0282(13) Uani 1 1 d . . .
H32A H 0.0232 0.1171 0.0360 0.034 Uiso 1 1 calc R . .
C33 C -0.2565(3) 0.2633(4) -0.3491(3) 0.0291(13) Uani 1 1 d . . .
C34 C 0.1802(3) -0.0023(4) 0.0874(3) 0.0272(13) Uani 1 1 d . . .
C37 C 0.1823(3) -0.0518(3) 0.0063(3) 0.0248(13) Uani 1 1 d . . .
C38 C 0.1793(3) 0.0439(5) 0.1807(3) 0.0413(17) Uani 1 1 d . . .
H38A H 0.1354 0.0620 0.1607 0.050 Uiso 1 1 calc R . .
C39 C 0.0334(3) 0.0736(4) -0.0339(3) 0.0248(12) Uani 1 1 d . . .
C41 C -0.4739(3) 0.1645(4) -0.5009(3) 0.0321(14) Uani 1 1 d . . .
H41A H -0.4565 0.1688 -0.4609 0.038 Uiso 1 1 calc R . .
C42 C -0.2643(3) 0.3789(3) -0.5259(3) 0.0257(13) Uani 1 1 d . . .
C43 C 0.2151(3) -0.1015(3) -0.0230(2) 0.0231(12) Uani 1 1 d . . .
C44 C -0.2962(3) 0.3902(4) -0.5854(3) 0.0293(13) Uani 1 1 d . . .
H44A H -0.3382 0.3675 -0.6070 0.035 Uiso 1 1 calc R . .
C45 C -0.2946(3) 0.3278(3) -0.4954(3) 0.0243(13) Uani 1 1 d . . .
C46 C 0.2123(3) 0.0075(4) 0.1514(3) 0.0293(14) Uani 1 1 d . . .
C47 C 0.1861(3) -0.1103(4) -0.0820(3) 0.0271(13) Uani 1 1 d . . .
H47A H 0.1442 -0.0879 -0.1042 0.033 Uiso 1 1 calc R . .
C48 C -0.1745(3) 0.4592(4) -0.5263(3) 0.0301(14) Uani 1 1 d . . .
H48A H -0.1324 0.4821 -0.5061 0.036 Uiso 1 1 calc R . .
C49 C -0.5266(3) 0.1463(4) -0.6164(3) 0.0341(15) Uani 1 1 d . . .
H49A H -0.5439 0.1385 -0.6561 0.041 Uiso 1 1 calc R . .
C50 C 0.3079(3) -0.1802(4) -0.0214(3) 0.0362(15) Uani 1 1 d . . .
H50A H 0.3494 -0.2045 -0.0005 0.043 Uiso 1 1 calc R . .
C51 C -0.5330(3) 0.1247(4) -0.5315(3) 0.0384(16) Uani 1 1 d . . .
H51A H -0.5552 0.1022 -0.5111 0.046 Uiso 1 1 calc R . .
C52 C 0.0020(3) 0.0725(4) -0.0937(3) 0.0335(14) Uani 1 1 d . . .
H52A H 0.0195 0.0424 -0.1147 0.040 Uiso 1 1 calc R . .
C53 C 0.3070(3) -0.0053(5) 0.2417(3) 0.0451(18) Uani 1 1 d . . .
H53A H 0.3512 -0.0222 0.2626 0.054 Uiso 1 1 calc R . .
C54 C -0.1979(3) 0.3015(4) -0.3156(3) 0.0385(16) Uani 1 1 d . . .
H54A H -0.1760 0.3334 -0.3322 0.046 Uiso 1 1 calc R . .
C55 C -0.0558(3) 0.1169(4) -0.1211(3) 0.0361(15) Uani 1 1 d . . .
H55A H -0.0747 0.1193 -0.1612 0.043 Uiso 1 1 calc R . .
C56 C -0.2545(4) 0.2049(4) -0.2633(3) 0.0420(17) Uani 1 1 d . . .
H56A H -0.2735 0.1701 -0.2457 0.050 Uiso 1 1 calc R . .
C57 C 0.2119(3) 0.0533(5) 0.2396(3) 0.0456(18) Uani 1 1 d . . .
H57A H 0.1890 0.0776 0.2587 0.055 Uiso 1 1 calc R . .
C58 C 0.2782(3) -0.0168(4) 0.1828(3) 0.0379(16) Uani 1 1 d . . .
H58A H 0.3024 -0.0404 0.1646 0.045 Uiso 1 1 calc R . .
C59 C -0.2850(3) 0.2114(4) -0.3228(3) 0.0382(16) Uani 1 1 d . . .
H59A H -0.3235 0.1820 -0.3447 0.046 Uiso 1 1 calc R . .
C60 C -0.1715(4) 0.2919(5) -0.2560(3) 0.0497(19) Uani 1 1 d . . .
H60A H -0.1321 0.3193 -0.2334 0.060 Uiso 1 1 calc R . .
N1 N -0.5606(2) 0.1164(3) -0.5887(2) 0.0319(12) Uani 1 1 d . . .
N2 N -0.2046(2) 0.4698(3) -0.5834(2) 0.0282(11) Uani 1 1 d . . .
N3 N -0.1992(3) 0.2460(4) -0.2296(2) 0.0418(14) Uani 1 1 d . . .
N4 N -0.3471(2) 0.2327(3) -0.4415(2) 0.0280(11) Uani 1 1 d . . .
N5 N -0.2622(2) 0.3224(3) -0.4379(2) 0.0272(11) Uani 1 1 d . . .
N6 N -0.3521(2) 0.2897(3) -0.5281(2) 0.0268(11) Uani 1 1 d . . .
N7 N -0.0865(2) 0.1571(3) -0.0936(2) 0.0300(11) Uani 1 1 d . . .
N8 N 0.2797(3) -0.1870(3) -0.0788(2) 0.0301(12) Uani 1 1 d . . .
N9 N 0.2756(3) 0.0288(4) 0.2710(2) 0.0414(14) Uani 1 1 d . . .
N10 N 0.1227(2) 0.0373(3) 0.0580(2) 0.0281(11) Uani 1 1 d . . .
N11 N 0.1261(2) -0.0123(3) -0.0274(2) 0.0252(11) Uani 1 1 d . . .
N12 N 0.2114(2) -0.0499(3) 0.0641(2) 0.0294(11) Uani 1 1 d . . .
O1 O -0.4378(5) 0.1000(5) -0.7062(4) 0.134(4) Uani 1 1 d . . .
O2 O -0.5344(3) -0.0141(3) -0.7065(2) 0.0491(12) Uani 1 1 d . . .
O3 O -0.4478(3) -0.0267(4) -0.5866(2) 0.0600(15) Uani 1 1 d . . .
O4 O -0.5732(2) -0.0826(3) -0.6308(2) 0.0518(13) Uani 1 1 d . . .
O5 O -0.4674(2) -0.1901(3) -0.6064(2) 0.0455(12) Uani 1 1 d . . .
O6 O -0.5512(3) -0.1855(3) -0.7141(2) 0.0526(14) Uani 1 1 d . . .
O7 O -0.5757(3) -0.1045(3) -0.8231(2) 0.0532(14) Uani 1 1 d . . .
O8 O -0.6764(2) -0.1978(3) -0.8163(3) 0.0536(14) Uani 1 1 d . . .
O9 O -0.5787(3) -0.2874(4) -0.6300(3) 0.0592(15) Uani 1 1 d . . .
O10 O -0.4583(3) -0.3547(4) -0.5928(2) 0.0613(15) Uani 1 1 d . . .
O11 O -0.5482(3) -0.3582(3) -0.7119(2) 0.0527(13) Uani 1 1 d . . .
O12 O -0.5652(3) -0.2818(3) -0.8161(2) 0.0484(13) Uani 1 1 d . . .
O13 O -0.4425(3) -0.4669(4) -0.7008(3) 0.0737(17) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.264(5) . ?
Ag1 N9 2.295(5) 1_454 ?
Ag1 N2 2.307(5) 3_445 ?
Ag2 N8 2.268(5) 3_455 ?
Ag2 N3 2.309(5) . ?
Ag2 N7 2.337(5) . ?
Mo1 O1 1.704(7) . ?
Mo1 O1 1.704(7) 2_453 ?
Mo1 O2 1.801(5) 2_453 ?
Mo1 O2 1.801(5) . ?
Mo2 O4 1.692(5) . ?
Mo2 O3 1.708(5) . ?
Mo2 O5 1.869(5) . ?
Mo2 O2 1.987(5) . ?
Mo2 O7 2.294(5) 2_453 ?
Mo2 O6 2.363(5) . ?
Mo3 O10 1.672(5) . ?
Mo3 O9 1.699(5) . ?
Mo3 O11 1.938(5) . ?
Mo3 O5 1.944(5) . ?
Mo3 O12 2.295(5) 2_453 ?
Mo3 O6 2.397(5) . ?
Mo4 O13 1.678(6) 2_453 ?
Mo4 O13 1.678(6) . ?
Mo4 O11 1.896(5) . ?
Mo4 O11 1.896(5) 2_453 ?
Mo5 O8 1.694(5) . ?
Mo5 O6 1.780(5) . ?
Mo5 O7 1.786(5) . ?
Mo5 O12 1.796(5) . ?
C14 N11 1.319(7) . ?
C14 N10 1.343(7) . ?
C14 C39 1.500(8) . ?
C19 C50 1.401(8) . ?
C19 C43 1.402(8) . ?
C20 N6 1.339(7) . ?
C20 N4 1.332(7) . ?
C20 C21 1.490(8) . ?
C21 C29 1.371(9) . ?
C21 C41 1.392(8) . ?
C22 N2 1.330(8) . ?
C22 C44 1.381(8) . ?
C24 C48 1.384(8) . ?
C24 C42 1.396(8) . ?
C26 N7 1.338(8) . ?
C26 C32 1.386(8) . ?
C28 N8 1.334(8) . ?
C28 C47 1.386(8) . ?
C29 C49 1.378(9) . ?
C31 N4 1.330(7) . ?
C31 N5 1.330(7) . ?
C31 C33 1.492(8) . ?
C32 C39 1.386(8) . ?
C33 C54 1.362(9) . ?
C33 C59 1.392(9) . ?
C34 N10 1.335(8) . ?
C34 N12 1.339(7) . ?
C34 C46 1.490(8) . ?
C37 N11 1.339(7) . ?
C37 N12 1.338(8) . ?
C37 C43 1.489(8) . ?
C38 C57 1.374(9) . ?
C38 C46 1.384(9) . ?
C39 C52 1.383(8) . ?
C41 C51 1.367(9) . ?
C42 C44 1.390(8) . ?
C42 C45 1.485(8) . ?
C43 C47 1.374(8) . ?
C45 N5 1.339(8) . ?
C45 N6 1.340(8) . ?
C46 C58 1.386(9) . ?
C48 N2 1.333(8) . ?
C49 N1 1.327(8) . ?
C50 N8 1.333(8) . ?
C51 N1 1.331(8) . ?
C52 C55 1.373(9) . ?
C53 N9 1.340(9) . ?
C53 C58 1.376(10) . ?
C54 C60 1.390(10) . ?
C55 N7 1.341(8) . ?
C56 N3 1.340(9) . ?
C56 C59 1.381(9) . ?
C57 N9 1.348(9) . ?
C60 N3 1.323(9) . ?
N2 Ag1 2.307(5) 3 ?
N8 Ag2 2.268(5) 3_545 ?
N9 Ag1 2.295(5) 1_656 ?
O7 Mo2 2.294(5) 2_453 ?
O12 Mo3 2.295(5) 2_453 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 129.1(2) . 1_454 ?
N1 Ag1 N2 124.02(18) . 3_445 ?
N9 Ag1 N2 106.8(2) 1_454 3_445 ?
N8 Ag2 N3 134.8(2) 3_455 . ?
N8 Ag2 N7 123.06(18) 3_455 . ?
N3 Ag2 N7 102.10(19) . . ?
O1 Mo1 O1 104.9(8) . 2_453 ?
O1 Mo1 O2 105.0(3) . 2_453 ?
O1 Mo1 O2 108.1(3) 2_453 2_453 ?
O1 Mo1 O2 108.1(3) . . ?
O1 Mo1 O2 105.0(3) 2_453 . ?
O2 Mo1 O2 124.2(3) 2_453 . ?
O4 Mo2 O3 103.1(3) . . ?
O4 Mo2 O5 102.5(2) . . ?
O3 Mo2 O5 99.9(3) . . ?
O4 Mo2 O2 93.0(2) . . ?
O3 Mo2 O2 100.4(3) . . ?
O5 Mo2 O2 150.8(2) . . ?
O4 Mo2 O7 164.2(2) . 2_453 ?
O3 Mo2 O7 90.8(2) . 2_453 ?
O5 Mo2 O7 82.3(2) . 2_453 ?
O2 Mo2 O7 76.7(2) . 2_453 ?
O4 Mo2 O6 90.6(2) . . ?
O3 Mo2 O6 166.1(2) . . ?
O5 Mo2 O6 74.15(19) . . ?
O2 Mo2 O6 81.18(19) . . ?
O7 Mo2 O6 76.09(19) 2_453 . ?
O10 Mo3 O9 103.7(3) . . ?
O10 Mo3 O11 103.5(3) . . ?
O9 Mo3 O11 96.7(3) . . ?
O10 Mo3 O5 97.9(3) . . ?
O9 Mo3 O5 99.0(2) . . ?
O11 Mo3 O5 149.6(2) . . ?
O10 Mo3 O12 90.8(2) . 2_453 ?
O9 Mo3 O12 164.9(2) . 2_453 ?
O11 Mo3 O12 75.6(2) . 2_453 ?
O5 Mo3 O12 82.83(19) . 2_453 ?
O10 Mo3 O6 162.6(2) . . ?
O9 Mo3 O6 92.1(2) . . ?
O11 Mo3 O6 81.4(2) . . ?
O5 Mo3 O6 72.13(19) . . ?
O12 Mo3 O6 74.09(19) 2_453 . ?
O13 Mo4 O13 107.4(5) 2_453 . ?
O13 Mo4 O11 103.1(3) 2_453 . ?
O13 Mo4 O11 105.8(3) . . ?
O13 Mo4 O11 105.8(3) 2_453 2_453 ?
O13 Mo4 O11 103.1(3) . 2_453 ?
O11 Mo4 O11 130.2(3) . 2_453 ?
O8 Mo5 O6 112.5(3) . . ?
O8 Mo5 O7 105.1(3) . . ?
O6 Mo5 O7 110.3(3) . . ?
O8 Mo5 O12 107.3(2) . . ?
O6 Mo5 O12 111.6(2) . . ?
O7 Mo5 O12 109.9(2) . . ?
N11 C14 N10 125.1(5) . . ?
N11 C14 C39 119.0(5) . . ?
N10 C14 C39 115.9(5) . . ?
C50 C19 C43 118.4(6) . . ?
N6 C20 N4 124.8(5) . . ?
N6 C20 C21 118.7(5) . . ?
N4 C20 C21 116.5(5) . . ?
C29 C21 C41 118.3(5) . . ?
C29 C21 C20 122.3(5) . . ?
C41 C21 C20 119.4(5) . . ?
N2 C22 C44 123.5(6) . . ?
C48 C24 C42 118.0(5) . . ?
N7 C26 C32 123.6(5) . . ?
N8 C28 C47 123.1(6) . . ?
C21 C29 C49 118.7(6) . . ?
N4 C31 N5 124.6(5) . . ?
N4 C31 C33 117.1(5) . . ?
N5 C31 C33 118.3(5) . . ?
C39 C32 C26 118.4(5) . . ?
C54 C33 C59 118.7(6) . . ?
C54 C33 C31 122.3(5) . . ?
C59 C33 C31 118.9(5) . . ?
N10 C34 N12 125.3(5) . . ?
N10 C34 C46 117.3(5) . . ?
N12 C34 C46 117.3(5) . . ?
N11 C37 N12 125.3(5) . . ?
N11 C37 C43 117.2(5) . . ?
N12 C37 C43 117.6(5) . . ?
C57 C38 C46 119.6(6) . . ?
C52 C39 C32 118.8(5) . . ?
C52 C39 C14 122.8(5) . . ?
C32 C39 C14 118.3(5) . . ?
C51 C41 C21 118.5(6) . . ?
C44 C42 C24 118.2(5) . . ?
C44 C42 C45 121.3(5) . . ?
C24 C42 C45 120.5(5) . . ?
C47 C43 C19 118.2(5) . . ?
C47 C43 C37 120.9(5) . . ?
C19 C43 C37 120.9(5) . . ?
C22 C44 C42 118.9(6) . . ?
N5 C45 N6 125.1(5) . . ?
N5 C45 C42 117.9(5) . . ?
N6 C45 C42 117.0(5) . . ?
C58 C46 C38 118.2(6) . . ?
C58 C46 C34 119.7(5) . . ?
C38 C46 C34 122.0(5) . . ?
C43 C47 C28 119.5(5) . . ?
N2 C48 C24 124.1(6) . . ?
N1 C49 C29 123.7(6) . . ?
N8 C50 C19 122.7(6) . . ?
N1 C51 C41 123.8(6) . . ?
C55 C52 C39 118.4(6) . . ?
N9 C53 C58 124.2(6) . . ?
C33 C54 C60 118.6(6) . . ?
N7 C55 C52 124.0(6) . . ?
N3 C56 C59 123.4(6) . . ?
N9 C57 C38 122.9(6) . . ?
C53 C58 C46 118.4(6) . . ?
C56 C59 C33 118.3(6) . . ?
N3 C60 C54 123.9(7) . . ?
C49 N1 C51 116.9(5) . . ?
C49 N1 Ag1 123.4(4) . . ?
C51 N1 Ag1 119.4(4) . . ?
C22 N2 C48 117.2(5) . . ?
C22 N2 Ag1 120.5(4) . 3 ?
C48 N2 Ag1 122.3(4) . 3 ?
C60 N3 C56 116.8(6) . . ?
C60 N3 Ag2 128.0(5) . . ?
C56 N3 Ag2 114.0(4) . . ?
C31 N4 C20 115.8(5) . . ?
C31 N5 C45 115.2(5) . . ?
C20 N6 C45 114.5(5) . . ?
C26 N7 C55 116.6(5) . . ?
C26 N7 Ag2 114.6(4) . . ?
C55 N7 Ag2 128.0(4) . . ?
C28 N8 C50 118.1(5) . . ?
C28 N8 Ag2 115.5(4) . 3_545 ?
C50 N8 Ag2 126.4(4) . 3_545 ?
C53 N9 C57 116.6(6) . . ?
C53 N9 Ag1 112.6(4) . 1_656 ?
C57 N9 Ag1 130.7(4) . 1_656 ?
C34 N10 C14 114.7(5) . . ?
C14 N11 C37 115.2(5) . . ?
C34 N12 C37 114.2(5) . . ?
Mo1 O2 Mo2 136.9(3) . . ?
Mo2 O5 Mo3 121.8(3) . . ?
Mo5 O6 Mo2 141.3(3) . . ?
Mo5 O6 Mo3 129.2(3) . . ?
Mo2 O6 Mo3 88.84(17) . . ?
Mo5 O7 Mo2 127.6(2) . 2_453 ?
Mo4 O11 Mo3 125.4(3) . . ?
Mo5 O12 Mo3 128.7(3) . 2_453 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         1.732
_refine_diff_density_min         -1.046
_refine_diff_density_rms         0.138
_database_code_depnum_ccdc_archive 'CCDC 956853'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_340K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0101(9)
_cell_length_b                   16.5266(5)
_cell_length_c                   25.5684(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.234(5)
_cell_angle_gamma                90.00
_cell_volume                     8413.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    340.00(10)
_cell_measurement_reflns_used    12218
_cell_measurement_theta_min      3.2090
_cell_measurement_theta_max      28.9340

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.261
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49103
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      340.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18153
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7107
_reflns_number_gt                5759
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0679P)²+48.9330P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7107
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0432
_refine_ls_wR_factor_ref         0.1307
_refine_ls_wR_factor_gt          0.1196
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.34427(3) -0.04269(4) -0.63253(2) 0.04431(18) Uani 1 1 d . . .
Ag2 Ag 0.32249(3) 0.25433(4) -0.13309(2) 0.04983(19) Uani 1 1 d . . .
C13 C 0.5977(3) 0.4710(4) -0.0001(3) 0.0254(13) Uani 1 1 d . . .
C17 C 0.7773(3) 0.6381(4) 0.0087(3) 0.0359(16) Uani 1 1 d . . .
H17A H 0.7980 0.6348 0.0489 0.043 Uiso 1 1 calc R . .
C18 C 0.2978(3) 0.0839(4) -0.4954(3) 0.0290(14) Uani 1 1 d . . .
H18A H 0.3199 0.0878 -0.4554 0.035 Uiso 1 1 calc R . .
C20 C 0.1235(3) 0.2567(4) -0.4990(3) 0.0247(13) Uani 1 1 d . . .
C21 C 0.0597(3) 0.3016(4) -0.5312(3) 0.0274(14) Uani 1 1 d . . .
C23 C 0.5032(3) 0.3843(4) -0.0047(3) 0.0313(15) Uani 1 1 d . . .
H23A H 0.5226 0.3833 0.0355 0.038 Uiso 1 1 calc R . .
C24 C 0.4441(3) 0.3442(4) -0.0361(3) 0.0328(15) Uani 1 1 d . . .
H24A H 0.4241 0.3164 -0.0159 0.039 Uiso 1 1 calc R . .
C25 C 0.2097(3) 0.2262(4) -0.4133(3) 0.0280(14) Uani 1 1 d . . .
C26 C 0.0327(3) 0.3113(4) -0.5899(3) 0.0382(17) Uani 1 1 d . . .
H26A H 0.0542 0.2901 -0.6112 0.046 Uiso 1 1 calc R . .
C30 C 0.6820(3) 0.5526(4) 0.0060(3) 0.0283(14) Uani 1 1 d . . .
C31 C 0.5334(3) 0.4262(4) -0.0341(3) 0.0269(13) Uani 1 1 d . . .
C32 C 0.2355(3) 0.0643(4) -0.6118(3) 0.0330(15) Uani 1 1 d . . .
H32A H 0.2138 0.0568 -0.6516 0.040 Uiso 1 1 calc R . .
C33 C 0.7203(3) 0.6529(4) -0.1084(3) 0.0325(15) Uani 1 1 d . . .
H33A H 0.7004 0.6578 -0.1485 0.039 Uiso 1 1 calc R . .
C35 C 0.2431(3) 0.2371(4) -0.3495(3) 0.0306(14) Uani 1 1 d . . .
C36 C 0.6790(4) 0.4563(5) 0.1804(3) 0.0454(19) Uani 1 1 d . . .
H36A H 0.6348 0.4391 0.1602 0.054 Uiso 1 1 calc R . .
C37 C 0.6802(3) 0.5019(4) 0.0870(3) 0.0306(14) Uani 1 1 d . . .
C38 C 0.7149(3) 0.6012(4) -0.0232(3) 0.0254(13) Uani 1 1 d . . .
C40 C 0.2352(3) 0.1211(4) -0.5264(3) 0.0285(14) Uani 1 1 d . . .
C41 C 0.0259(3) 0.3351(5) -0.5012(3) 0.0377(16) Uani 1 1 d . . .
H41A H 0.0432 0.3307 -0.4612 0.045 Uiso 1 1 calc R . .
C42 C 0.2038(3) 0.1100(4) -0.5858(3) 0.0331(15) Uani 1 1 d . . .
H42A H 0.1621 0.1331 -0.6077 0.040 Uiso 1 1 calc R . .
C43 C 0.6864(3) 0.6100(4) -0.0821(3) 0.0288(14) Uani 1 1 d . . .
H43A H 0.6445 0.5875 -0.1044 0.035 Uiso 1 1 calc R . .
C44 C 0.2050(3) 0.1720(4) -0.4959(3) 0.0273(14) Uani 1 1 d . . .
C46 C 0.7124(3) 0.4919(4) 0.1512(3) 0.0337(15) Uani 1 1 d . . .
C47 C -0.0267(3) 0.3530(5) -0.6166(3) 0.0387(17) Uani 1 1 d . . .
H47A H -0.0442 0.3602 -0.6564 0.046 Uiso 1 1 calc R . .
C48 C 0.3254(3) 0.0413(4) -0.5266(3) 0.0316(15) Uani 1 1 d . . .
H48A H 0.3679 0.0190 -0.5064 0.038 Uiso 1 1 calc R . .
C50 C 0.8076(4) 0.6802(4) -0.0215(3) 0.0391(17) Uani 1 1 d . . .
H50A H 0.8491 0.7045 -0.0005 0.047 Uiso 1 1 calc R . .
C51 C -0.0331(4) 0.3748(5) -0.5319(3) 0.0430(18) Uani 1 1 d . . .
H51A H -0.0555 0.3970 -0.5116 0.052 Uiso 1 1 calc R . .
C52 C 0.8068(4) 0.5052(5) 0.2419(3) 0.0472(19) Uani 1 1 d . . .
H52A H 0.8508 0.5224 0.2628 0.057 Uiso 1 1 calc R . .
C53 C 0.5018(3) 0.4279(4) -0.0937(3) 0.0359(16) Uani 1 1 d . . .
H53A H 0.5192 0.4584 -0.1147 0.043 Uiso 1 1 calc R . .
C54 C 0.4439(4) 0.3833(5) -0.1215(3) 0.0400(17) Uani 1 1 d . . .
H54A H 0.4247 0.3811 -0.1616 0.048 Uiso 1 1 calc R . .
C55 C 0.2153(4) 0.2884(5) -0.3226(3) 0.0418(18) Uani 1 1 d . . .
H55A H 0.1767 0.3178 -0.3443 0.050 Uiso 1 1 calc R . .
C56 C 0.2455(4) 0.2949(5) -0.2638(3) 0.048(2) Uani 1 1 d . . .
H56A H 0.2266 0.3299 -0.2463 0.057 Uiso 1 1 calc R . .
C57 C 0.7116(4) 0.4466(5) 0.2396(3) 0.049(2) Uani 1 1 d . . .
H57A H 0.6886 0.4223 0.2587 0.059 Uiso 1 1 calc R . .
C58 C 0.7781(4) 0.5167(5) 0.1826(3) 0.0422(17) Uani 1 1 d . . .
H58A H 0.8024 0.5403 0.1644 0.051 Uiso 1 1 calc R . .
C59 C 0.3285(4) 0.2081(6) -0.2564(3) 0.054(2) Uani 1 1 d . . .
H59A H 0.3680 0.1809 -0.2337 0.064 Uiso 1 1 calc R . .
C60 C 0.3023(4) 0.1985(5) -0.3157(3) 0.0424(18) Uani 1 1 d . . .
H60A H 0.3241 0.1667 -0.3324 0.051 Uiso 1 1 calc R . .
N1 N 0.2954(3) 0.0302(3) -0.5832(2) 0.0311(12) Uani 1 1 d . . .
N2 N -0.0606(3) 0.3836(3) -0.5889(2) 0.0333(13) Uani 1 1 d . . .
N3 N 0.3007(3) 0.2540(4) -0.2299(3) 0.0457(16) Uani 1 1 d . . .
N4 N 0.2379(3) 0.1772(3) -0.4379(2) 0.0303(12) Uani 1 1 d . . .
N5 N 0.1482(3) 0.2105(3) -0.5284(2) 0.0307(12) Uani 1 1 d . . .
N6 N 0.1527(3) 0.2669(3) -0.4417(2) 0.0317(12) Uani 1 1 d . . .
N7 N 0.4138(3) 0.3427(3) -0.0935(2) 0.0346(13) Uani 1 1 d . . .
N8 N 0.7757(3) 0.4712(4) 0.2709(2) 0.0439(15) Uani 1 1 d . . .
N9 N 0.7798(3) 0.6869(3) -0.0787(2) 0.0322(13) Uani 1 1 d . . .
N10 N 0.6230(3) 0.4628(3) 0.0579(2) 0.0308(12) Uani 1 1 d . . .
N11 N 0.7113(3) 0.5496(3) 0.0639(2) 0.0341(13) Uani 1 1 d . . .
N12 N 0.6261(2) 0.5122(3) -0.0276(2) 0.0285(12) Uani 1 1 d . . .
Mo1 Mo 0.5000 -0.03623(6) -0.7500 0.0500(3) Uani 1 2 d S . .
Mo2 Mo 0.49871(3) 0.08950(4) -0.63929(2) 0.02931(16) Uani 1 1 d . . .
Mo3 Mo 0.49084(3) 0.29098(4) -0.64311(2) 0.03082(16) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.40696(7) -0.7500 0.0469(3) Uani 1 2 d S . .
Mo5 Mo 0.40817(3) 0.19305(3) -0.79058(2) 0.02905(16) Uani 1 1 d . . .
O1 O 0.5619(6) -0.0997(6) -0.7071(5) 0.149(5) Uani 1 1 d . . .
O2 O 0.4662(3) 0.0143(3) -0.7061(2) 0.0548(14) Uani 1 1 d . . .
O3 O 0.5523(3) 0.0275(4) -0.5864(3) 0.0676(17) Uani 1 1 d . . .
O4 O 0.4271(3) 0.0821(4) -0.6307(2) 0.0601(16) Uani 1 1 d . . .
O5 O 0.5327(3) 0.1900(3) -0.6062(2) 0.0527(14) Uani 1 1 d . . .
O6 O 0.4488(3) 0.1857(3) -0.7142(2) 0.0582(15) Uani 1 1 d . . .
O7 O 0.4241(3) 0.1044(4) -0.8231(3) 0.0599(16) Uani 1 1 d . . .
O8 O 0.3237(3) 0.1977(3) -0.8164(3) 0.0584(16) Uani 1 1 d . . .
O9 O 0.5422(3) 0.3534(4) -0.5924(3) 0.0694(18) Uani 1 1 d . . .
O10 O 0.4217(3) 0.2874(4) -0.6299(3) 0.0666(17) Uani 1 1 d . . .
O11 O 0.4524(3) 0.3584(4) -0.7117(3) 0.0609(16) Uani 1 1 d . . .
O12 O 0.4343(3) 0.2816(3) -0.8163(3) 0.0539(14) Uani 1 1 d . . .
O13 O 0.5577(4) 0.4667(5) -0.7010(3) 0.083(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.263(5) 3_545 ?
Ag1 N8 2.291(6) 3_444 ?
Ag1 N1 2.315(5) . ?
Ag2 N9 2.275(5) 3_445 ?
Ag2 N3 2.312(6) . ?
Ag2 N7 2.337(5) . ?
C13 N12 1.312(8) . ?
C13 N10 1.350(8) . ?
C13 C31 1.503(9) . ?
C17 C50 1.402(9) . ?
C17 C38 1.404(9) . ?
C18 C48 1.382(9) . ?
C18 C40 1.405(9) . ?
C20 N6 1.336(8) . ?
C20 N5 1.338(8) . ?
C20 C21 1.490(9) . ?
C21 C26 1.367(9) . ?
C21 C41 1.389(9) . ?
C23 C24 1.373(9) . ?
C23 C31 1.383(8) . ?
C24 N7 1.329(9) . ?
C25 N6 1.333(8) . ?
C25 N4 1.329(8) . ?
C25 C35 1.489(9) . ?
C26 C47 1.375(10) . ?
C30 N12 1.340(8) . ?
C30 N11 1.340(8) . ?
C30 C38 1.479(8) . ?
C31 C53 1.379(9) . ?
C32 N1 1.330(8) . ?
C32 C42 1.377(9) . ?
C33 N9 1.328(8) . ?
C33 C43 1.392(9) . ?
C35 C60 1.374(10) . ?
C35 C55 1.386(9) . ?
C36 C57 1.381(10) . ?
C36 C46 1.382(10) . ?
C37 N10 1.326(8) . ?
C37 N11 1.336(8) . ?
C37 C46 1.493(9) . ?
C38 C43 1.369(9) . ?
C40 C42 1.385(9) . ?
C40 C44 1.483(9) . ?
C41 C51 1.366(10) . ?
C44 N5 1.330(8) . ?
C44 N4 1.349(8) . ?
C46 C58 1.384(10) . ?
C47 N2 1.329(8) . ?
C48 N1 1.322(8) . ?
C50 N9 1.327(9) . ?
C51 N2 1.324(9) . ?
C52 N8 1.330(9) . ?
C52 C58 1.383(10) . ?
C53 C54 1.379(10) . ?
C54 N7 1.343(9) . ?
C55 C56 1.364(10) . ?
C56 N3 1.337(10) . ?
C57 N8 1.354(10) . ?
C59 N3 1.327(10) . ?
C59 C60 1.383(10) . ?
N2 Ag1 2.263(5) 3_455 ?
N8 Ag1 2.291(6) 3_556 ?
N9 Ag2 2.275(5) 3 ?
Mo1 O1 1.699(9) 2_653 ?
Mo1 O1 1.699(9) . ?
Mo1 O2 1.795(5) . ?
Mo1 O2 1.795(5) 2_653 ?
Mo2 O4 1.687(5) . ?
Mo2 O3 1.706(6) . ?
Mo2 O5 1.869(6) . ?
Mo2 O2 1.983(6) . ?
Mo2 O7 2.294(6) 2_653 ?
Mo2 O6 2.369(6) . ?
Mo3 O9 1.666(6) . ?
Mo3 O10 1.695(6) . ?
Mo3 O11 1.942(6) . ?
Mo3 O5 1.945(6) . ?
Mo3 O12 2.295(5) 2_653 ?
Mo3 O6 2.398(6) . ?
Mo4 O13 1.674(7) . ?
Mo4 O13 1.674(7) 2_653 ?
Mo4 O11 1.890(6) . ?
Mo4 O11 1.890(6) 2_653 ?
Mo5 O8 1.689(5) . ?
Mo5 O6 1.772(5) . ?
Mo5 O7 1.791(6) . ?
Mo5 O12 1.797(6) . ?
O7 Mo2 2.294(6) 2_653 ?
O12 Mo3 2.295(5) 2_653 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.2(2) 3_545 3_444 ?
N2 Ag1 N1 123.9(2) 3_545 . ?
N8 Ag1 N1 106.8(2) 3_444 . ?
N9 Ag2 N3 134.6(2) 3_445 . ?
N9 Ag2 N7 123.0(2) 3_445 . ?
N3 Ag2 N7 102.3(2) . . ?
N12 C13 N10 124.9(6) . . ?
N12 C13 C31 119.5(5) . . ?
N10 C13 C31 115.6(5) . . ?
C50 C17 C38 118.2(6) . . ?
C48 C18 C40 117.7(6) . . ?
N6 C20 N5 124.6(6) . . ?
N6 C20 C21 116.3(5) . . ?
N5 C20 C21 119.1(5) . . ?
C26 C21 C41 118.3(6) . . ?
C26 C21 C20 122.1(6) . . ?
C41 C21 C20 119.6(6) . . ?
C24 C23 C31 118.6(6) . . ?
N7 C24 C23 124.0(6) . . ?
N6 C25 N4 124.9(6) . . ?
N6 C25 C35 116.4(5) . . ?
N4 C25 C35 118.7(5) . . ?
C21 C26 C47 118.7(6) . . ?
N12 C30 N11 124.5(6) . . ?
N12 C30 C38 117.4(6) . . ?
N11 C30 C38 118.0(5) . . ?
C23 C31 C53 118.6(6) . . ?
C23 C31 C13 119.0(6) . . ?
C53 C31 C13 122.4(6) . . ?
N1 C32 C42 123.6(6) . . ?
N9 C33 C43 122.6(6) . . ?
C60 C35 C55 118.2(6) . . ?
C60 C35 C25 121.7(6) . . ?
C55 C35 C25 120.2(6) . . ?
C57 C36 C46 119.7(7) . . ?
N10 C37 N11 125.6(6) . . ?
N10 C37 C46 117.2(6) . . ?
N11 C37 C46 117.3(6) . . ?
C43 C38 C17 118.0(5) . . ?
C43 C38 C30 121.3(6) . . ?
C17 C38 C30 120.7(6) . . ?
C42 C40 C18 118.1(6) . . ?
C42 C40 C44 121.7(6) . . ?
C18 C40 C44 120.2(6) . . ?
C51 C41 C21 118.4(6) . . ?
C32 C42 C40 118.9(6) . . ?
C38 C43 C33 119.8(6) . . ?
N5 C44 N4 125.2(5) . . ?
N5 C44 C40 117.1(6) . . ?
N4 C44 C40 117.6(5) . . ?
C58 C46 C36 118.5(6) . . ?
C58 C46 C37 119.7(6) . . ?
C36 C46 C37 121.8(6) . . ?
N2 C47 C26 123.8(6) . . ?
N1 C48 C18 124.3(6) . . ?
N9 C50 C17 123.0(6) . . ?
N2 C51 C41 124.1(6) . . ?
N8 C52 C58 124.5(7) . . ?
C54 C53 C31 118.5(6) . . ?
N7 C54 C53 123.4(6) . . ?
C56 C55 C35 119.0(7) . . ?
N3 C56 C55 123.7(7) . . ?
N8 C57 C36 122.4(7) . . ?
C46 C58 C52 118.1(7) . . ?
N3 C59 C60 123.8(7) . . ?
C35 C60 C59 118.5(6) . . ?
C48 N1 C32 117.4(5) . . ?
C48 N1 Ag1 122.5(4) . . ?
C32 N1 Ag1 120.1(4) . . ?
C51 N2 C47 116.6(6) . . ?
C51 N2 Ag1 119.6(4) . 3_455 ?
C47 N2 Ag1 123.6(5) . 3_455 ?
C59 N3 C56 116.7(6) . . ?
C59 N3 Ag2 128.1(5) . . ?
C56 N3 Ag2 114.1(5) . . ?
C25 N4 C44 114.7(5) . . ?
C44 N5 C20 114.9(5) . . ?
C25 N6 C20 115.7(5) . . ?
C24 N7 C54 116.7(6) . . ?
C24 N7 Ag2 115.1(4) . . ?
C54 N7 Ag2 127.5(5) . . ?
C52 N8 C57 116.8(6) . . ?
C52 N8 Ag1 112.6(5) . 3_556 ?
C57 N8 Ag1 130.4(5) . 3_556 ?
C50 N9 C33 118.4(5) . . ?
C50 N9 Ag2 126.7(4) . 3 ?
C33 N9 Ag2 114.9(4) . 3 ?
C37 N10 C13 114.6(5) . . ?
C37 N11 C30 114.5(5) . . ?
C13 N12 C30 115.7(5) . . ?
O1 Mo1 O1 103.8(9) 2_653 . ?
O1 Mo1 O2 105.0(4) 2_653 . ?
O1 Mo1 O2 108.4(4) . . ?
O1 Mo1 O2 108.4(4) 2_653 2_653 ?
O1 Mo1 O2 105.0(4) . 2_653 ?
O2 Mo1 O2 124.6(4) . 2_653 ?
O4 Mo2 O3 102.8(3) . . ?
O4 Mo2 O5 102.8(3) . . ?
O3 Mo2 O5 99.6(3) . . ?
O4 Mo2 O2 93.0(3) . . ?
O3 Mo2 O2 100.4(3) . . ?
O5 Mo2 O2 151.0(2) . . ?
O4 Mo2 O7 164.3(3) . 2_653 ?
O3 Mo2 O7 90.7(3) . 2_653 ?
O5 Mo2 O7 82.5(2) . 2_653 ?
O2 Mo2 O7 76.5(2) . 2_653 ?
O4 Mo2 O6 91.0(3) . . ?
O3 Mo2 O6 165.9(3) . . ?
O5 Mo2 O6 74.2(2) . . ?
O2 Mo2 O6 81.5(2) . . ?
O7 Mo2 O6 76.1(2) 2_653 . ?
O9 Mo3 O10 103.6(3) . . ?
O9 Mo3 O11 103.8(3) . . ?
O10 Mo3 O11 96.8(3) . . ?
O9 Mo3 O5 97.5(3) . . ?
O10 Mo3 O5 98.8(3) . . ?
O11 Mo3 O5 149.8(2) . . ?
O9 Mo3 O12 90.9(2) . 2_653 ?
O10 Mo3 O12 165.0(3) . 2_653 ?
O11 Mo3 O12 75.6(2) . 2_653 ?
O5 Mo3 O12 83.0(2) . 2_653 ?
O9 Mo3 O6 162.6(3) . . ?
O10 Mo3 O6 92.1(3) . . ?
O11 Mo3 O6 81.5(2) . . ?
O5 Mo3 O6 72.2(2) . . ?
O12 Mo3 O6 74.2(2) 2_653 . ?
O13 Mo4 O13 107.7(5) . 2_653 ?
O13 Mo4 O11 105.9(3) . . ?
O13 Mo4 O11 103.1(3) 2_653 . ?
O13 Mo4 O11 103.1(3) . 2_653 ?
O13 Mo4 O11 105.9(3) 2_653 2_653 ?
O11 Mo4 O11 129.8(4) . 2_653 ?
O8 Mo5 O6 112.8(3) . . ?
O8 Mo5 O7 104.9(3) . . ?
O6 Mo5 O7 110.4(3) . . ?
O8 Mo5 O12 106.9(3) . . ?
O6 Mo5 O12 111.7(3) . . ?
O7 Mo5 O12 109.8(3) . . ?
Mo1 O2 Mo2 137.4(3) . . ?
Mo2 O5 Mo3 121.9(3) . . ?
Mo5 O6 Mo2 141.2(3) . . ?
Mo5 O6 Mo3 129.5(3) . . ?
Mo2 O6 Mo3 88.75(18) . . ?
Mo5 O7 Mo2 127.5(3) . 2_653 ?
Mo4 O11 Mo3 125.9(3) . . ?
Mo5 O12 Mo3 128.7(3) . 2_653 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         1.879
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.144
_database_code_depnum_ccdc_archive 'CCDC 956854'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_370K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9943(8)
_cell_length_b                   16.5773(6)
_cell_length_c                   25.5580(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.203(5)
_cell_angle_gamma                90.00
_cell_volume                     8431.5(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    370.01(10)
_cell_measurement_reflns_used    11495
_cell_measurement_theta_min      3.2020
_cell_measurement_theta_max      28.8640

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.48220
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      370.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18204
_diffrn_reflns_av_R_equivalents  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7121
_reflns_number_gt                5704
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0727P)²+60.6942P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7121
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0590
_refine_ls_R_factor_gt           0.0461
_refine_ls_wR_factor_ref         0.1414
_refine_ls_wR_factor_gt          0.1293
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.15573(3) 0.45714(4) -0.63270(3) 0.0489(2) Uani 1 1 d . . .
Ag2 Ag -0.17772(3) 0.75492(5) -0.13323(3) 0.0551(2) Uani 1 1 d . . .
C10 C 0.0978(3) 0.9708(4) -0.0004(3) 0.0278(14) Uani 1 1 d . . .
C17 C -0.2025(3) 0.5841(4) -0.4958(3) 0.0331(15) Uani 1 1 d . . .
H17A H -0.1803 0.5882 -0.4558 0.040 Uiso 1 1 calc R . .
C18 C 0.0034(3) 0.8846(4) -0.0048(3) 0.0341(16) Uani 1 1 d . . .
H18A H 0.0229 0.8834 0.0354 0.041 Uiso 1 1 calc R . .
C19 C 0.2773(4) 1.1378(5) 0.0086(3) 0.0395(17) Uani 1 1 d . . .
H19A H 0.2983 1.1338 0.0487 0.047 Uiso 1 1 calc R . .
C21 C 0.1817(3) 1.0522(4) 0.0057(3) 0.0302(15) Uani 1 1 d . . .
C22 C -0.2902(3) 0.7264(4) -0.4136(3) 0.0296(15) Uani 1 1 d . . .
C23 C -0.4402(3) 0.8014(4) -0.5317(3) 0.0301(15) Uani 1 1 d . . .
C24 C -0.4670(4) 0.8112(5) -0.5898(3) 0.0414(18) Uani 1 1 d . . .
H24A H -0.4454 0.7901 -0.6110 0.050 Uiso 1 1 calc R . .
C25 C -0.3767(3) 0.7563(4) -0.4991(3) 0.0280(14) Uani 1 1 d . . .
C26 C -0.0560(4) 0.8441(4) -0.0365(3) 0.0352(16) Uani 1 1 d . . .
H26A H -0.0758 0.8155 -0.0165 0.042 Uiso 1 1 calc R . .
C29 C 0.0331(3) 0.9272(4) -0.0346(3) 0.0293(14) Uani 1 1 d . . .
C30 C 0.2199(3) 1.1532(5) -0.1089(3) 0.0358(16) Uani 1 1 d . . .
H30A H 0.2002 1.1581 -0.1489 0.043 Uiso 1 1 calc R . .
C32 C 0.1791(4) 0.9563(5) 0.1800(3) 0.049(2) Uani 1 1 d . . .
H32A H 0.1350 0.9388 0.1599 0.058 Uiso 1 1 calc R . .
C33 C -0.2646(4) 0.5644(4) -0.6123(3) 0.0381(17) Uani 1 1 d . . .
H33A H -0.2862 0.5575 -0.6522 0.046 Uiso 1 1 calc R . .
C34 C -0.2568(3) 0.7369(4) -0.3495(3) 0.0324(15) Uani 1 1 d . . .
C35 C 0.1801(3) 1.0020(4) 0.0866(3) 0.0319(15) Uani 1 1 d . . .
C37 C 0.2149(3) 1.1013(4) -0.0232(3) 0.0289(15) Uani 1 1 d . . .
C39 C -0.2643(3) 0.6210(4) -0.5263(3) 0.0315(15) Uani 1 1 d . . .
C40 C -0.4744(4) 0.8356(5) -0.5020(3) 0.0405(18) Uani 1 1 d . . .
H40A H -0.4569 0.8319 -0.4619 0.049 Uiso 1 1 calc R . .
C42 C 0.2122(3) 0.9920(5) 0.1511(3) 0.0359(16) Uani 1 1 d . . .
C43 C 0.1859(3) 1.1107(4) -0.0827(3) 0.0324(15) Uani 1 1 d . . .
H43A H 0.1439 1.0886 -0.1050 0.039 Uiso 1 1 calc R . .
C44 C -0.2960(4) 0.6093(4) -0.5858(3) 0.0359(16) Uani 1 1 d . . .
H44A H -0.3381 0.6316 -0.6075 0.043 Uiso 1 1 calc R . .
C45 C 0.3073(4) 1.1805(5) -0.0215(3) 0.0423(18) Uani 1 1 d . . .
H45A H 0.3485 1.2054 -0.0004 0.051 Uiso 1 1 calc R . .
C46 C -0.2950(3) 0.6721(4) -0.4962(3) 0.0295(15) Uani 1 1 d . . .
C47 C -0.5268(4) 0.8529(5) -0.6173(3) 0.0408(18) Uani 1 1 d . . .
H47A H -0.5441 0.8604 -0.6571 0.049 Uiso 1 1 calc R . .
C48 C -0.1749(4) 0.5411(4) -0.5266(3) 0.0358(16) Uani 1 1 d . . .
H48A H -0.1328 0.5181 -0.5061 0.043 Uiso 1 1 calc R . .
C49 C -0.5332(4) 0.8742(5) -0.5322(3) 0.045(2) Uani 1 1 d . . .
H49A H -0.5556 0.8960 -0.5118 0.054 Uiso 1 1 calc R . .
C51 C 0.0020(4) 0.9276(5) -0.0941(3) 0.0401(17) Uani 1 1 d . . .
H51A H 0.0198 0.9570 -0.1153 0.048 Uiso 1 1 calc R . .
C52 C 0.3067(4) 1.0053(6) 0.2414(4) 0.053(2) Uani 1 1 d . . .
H52A H 0.3508 1.0225 0.2622 0.064 Uiso 1 1 calc R . .
C54 C -0.0560(4) 0.8837(5) -0.1214(3) 0.0433(18) Uani 1 1 d . . .
H54A H -0.0753 0.8819 -0.1616 0.052 Uiso 1 1 calc R . .
C55 C 0.2117(4) 0.9466(6) 0.2392(3) 0.055(2) Uani 1 1 d . . .
H55A H 0.1888 0.9219 0.2583 0.066 Uiso 1 1 calc R . .
C56 C -0.2851(4) 0.7882(5) -0.3229(3) 0.046(2) Uani 1 1 d . . .
H56A H -0.3237 0.8175 -0.3447 0.055 Uiso 1 1 calc R . .
C57 C -0.2546(4) 0.7946(5) -0.2636(3) 0.050(2) Uani 1 1 d . . .
H57A H -0.2737 0.8288 -0.2459 0.060 Uiso 1 1 calc R . .
C58 C 0.2776(4) 1.0163(5) 0.1818(3) 0.0443(19) Uani 1 1 d . . .
H58A H 0.3016 1.0395 0.1633 0.053 Uiso 1 1 calc R . .
C59 C -0.1717(4) 0.7089(6) -0.2567(4) 0.058(2) Uani 1 1 d . . .
H59A H -0.1322 0.6817 -0.2341 0.069 Uiso 1 1 calc R . .
C60 C -0.1978(4) 0.6994(5) -0.3159(4) 0.048(2) Uani 1 1 d . . .
H60A H -0.1757 0.6681 -0.3326 0.058 Uiso 1 1 calc R . .
N1 N -0.2044(3) 0.5304(3) -0.5833(3) 0.0350(14) Uani 1 1 d . . .
N2 N -0.5606(3) 0.8827(4) -0.5890(3) 0.0395(14) Uani 1 1 d . . .
N3 N -0.1992(3) 0.7543(5) -0.2303(3) 0.0502(18) Uani 1 1 d . . .
N4 N -0.2622(3) 0.6773(4) -0.4382(3) 0.0347(14) Uani 1 1 d . . .
N5 N -0.3522(3) 0.7100(4) -0.5288(2) 0.0331(13) Uani 1 1 d . . .
N6 N -0.3475(3) 0.7666(4) -0.4420(2) 0.0352(14) Uani 1 1 d . . .
N7 N -0.0865(3) 0.8436(4) -0.0941(3) 0.0374(14) Uani 1 1 d . . .
N8 N 0.2753(3) 0.9715(4) 0.2703(3) 0.0479(17) Uani 1 1 d . . .
N9 N 0.2797(3) 1.1871(4) -0.0787(3) 0.0361(14) Uani 1 1 d . . .
N10 N 0.1257(3) 1.0127(3) -0.0282(2) 0.0310(13) Uani 1 1 d . . .
N11 N 0.1229(3) 0.9632(4) 0.0577(2) 0.0343(13) Uani 1 1 d . . .
N12 N 0.2111(3) 1.0498(4) 0.0636(3) 0.0372(14) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.46468(7) -0.7500 0.0535(3) Uani 1 2 d S . .
Mo2 Mo -0.00128(3) 0.58975(4) -0.63920(2) 0.03219(17) Uani 1 1 d . . .
Mo3 Mo -0.00875(3) 0.79075(4) -0.64289(3) 0.03417(18) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.90713(7) -0.7500 0.0506(3) Uani 1 2 d S . .
Mo5 Mo -0.09193(3) 0.69287(4) -0.79041(3) 0.03198(17) Uani 1 1 d . . .
O1 O 0.0626(6) 0.4018(7) -0.7073(6) 0.163(6) Uani 1 1 d . . .
O2 O -0.0340(3) 0.5143(4) -0.7059(3) 0.0604(16) Uani 1 1 d . . .
O3 O 0.0527(3) 0.5278(5) -0.5860(3) 0.076(2) Uani 1 1 d . . .
O4 O -0.0729(3) 0.5819(4) -0.6305(3) 0.0664(18) Uani 1 1 d . . .
O5 O 0.0329(3) 0.6897(4) -0.6064(3) 0.0573(16) Uani 1 1 d . . .
O6 O -0.0513(4) 0.6865(4) -0.7143(3) 0.0645(17) Uani 1 1 d . . .
O7 O -0.0757(3) 0.6045(4) -0.8230(3) 0.0674(18) Uani 1 1 d . . .
O8 O -0.1761(3) 0.6971(4) -0.8168(3) 0.0650(18) Uani 1 1 d . . .
O9 O -0.0779(3) 0.7871(5) -0.6297(3) 0.0729(19) Uani 1 1 d . . .
O10 O 0.0430(4) 0.8522(5) -0.5920(3) 0.080(2) Uani 1 1 d . . .
O11 O -0.0476(3) 0.8583(4) -0.7116(3) 0.0657(17) Uani 1 1 d . . .
O12 O -0.0655(3) 0.7809(4) -0.8165(3) 0.0599(16) Uani 1 1 d . . .
O13 O 0.0579(4) 0.9664(5) -0.7016(3) 0.093(2) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.271(6) 3_545 ?
Ag1 N8 2.302(6) 3_444 ?
Ag1 N1 2.315(5) . ?
Ag2 N9 2.279(6) 3_445 ?
Ag2 N3 2.318(6) . ?
Ag2 N7 2.340(6) . ?
C10 N10 1.315(8) . ?
C10 N11 1.352(9) . ?
C10 C29 1.501(9) . ?
C17 C48 1.378(9) . ?
C17 C39 1.389(9) . ?
C18 C26 1.383(10) . ?
C18 C29 1.389(9) . ?
C19 C45 1.399(10) . ?
C19 C37 1.401(10) . ?
C21 N12 1.339(9) . ?
C21 N10 1.337(9) . ?
C21 C37 1.484(9) . ?
C22 N4 1.330(9) . ?
C22 N6 1.334(9) . ?
C22 C34 1.492(9) . ?
C23 C24 1.354(10) . ?
C23 C40 1.396(9) . ?
C23 C25 1.487(9) . ?
C24 C47 1.383(10) . ?
C25 N6 1.331(9) . ?
C25 N5 1.343(8) . ?
C26 N7 1.332(9) . ?
C29 C51 1.376(10) . ?
C30 N9 1.334(9) . ?
C30 C43 1.390(9) . ?
C32 C55 1.380(11) . ?
C32 C42 1.374(10) . ?
C33 N1 1.337(9) . ?
C33 C44 1.374(10) . ?
C34 C60 1.362(10) . ?
C34 C56 1.390(10) . ?
C35 N11 1.323(9) . ?
C35 N12 1.336(9) . ?
C35 C42 1.499(10) . ?
C37 C43 1.383(9) . ?
C39 C44 1.390(10) . ?
C39 C46 1.486(9) . ?
C40 C49 1.352(10) . ?
C42 C58 1.372(10) . ?
C45 N9 1.327(10) . ?
C46 N5 1.334(9) . ?
C46 N4 1.347(9) . ?
C47 N2 1.332(9) . ?
C48 N1 1.325(9) . ?
C49 N2 1.322(9) . ?
C51 C54 1.373(10) . ?
C52 N8 1.333(10) . ?
C52 C58 1.390(11) . ?
C54 N7 1.335(9) . ?
C55 N8 1.347(10) . ?
C56 C57 1.375(11) . ?
C57 N3 1.331(11) . ?
C59 N3 1.319(11) . ?
C59 C60 1.381(11) . ?
N2 Ag1 2.271(6) 3_455 ?
N8 Ag1 2.302(6) 3_556 ?
N9 Ag2 2.279(6) 3 ?
Mo1 O1 1.701(10) 2_553 ?
Mo1 O1 1.701(10) . ?
Mo1 O2 1.796(6) . ?
Mo1 O2 1.796(6) 2_553 ?
Mo2 O4 1.686(6) . ?
Mo2 O3 1.714(6) . ?
Mo2 O5 1.864(6) . ?
Mo2 O2 1.985(6) . ?
Mo2 O7 2.292(6) 2_553 ?
Mo2 O6 2.381(6) . ?
Mo3 O10 1.663(6) . ?
Mo3 O9 1.694(6) . ?
Mo3 O5 1.946(6) . ?
Mo3 O11 1.947(7) . ?
Mo3 O12 2.284(6) 2_553 ?
Mo3 O6 2.395(6) . ?
Mo4 O13 1.666(8) . ?
Mo4 O13 1.666(8) 2_553 ?
Mo4 O11 1.894(6) 2_553 ?
Mo4 O11 1.894(6) . ?
Mo5 O8 1.681(6) . ?
Mo5 O6 1.764(6) . ?
Mo5 O7 1.795(7) . ?
Mo5 O12 1.801(6) . ?
O7 Mo2 2.292(6) 2_553 ?
O12 Mo3 2.284(6) 2_553 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.2(2) 3_545 3_444 ?
N2 Ag1 N1 124.0(2) 3_545 . ?
N8 Ag1 N1 106.7(2) 3_444 . ?
N9 Ag2 N3 134.6(2) 3_445 . ?
N9 Ag2 N7 123.3(2) 3_445 . ?
N3 Ag2 N7 102.0(2) . . ?
N10 C10 N11 125.1(6) . . ?
N10 C10 C29 119.0(6) . . ?
N11 C10 C29 115.8(6) . . ?
C48 C17 C39 118.1(7) . . ?
C26 C18 C29 118.3(6) . . ?
C45 C19 C37 118.3(7) . . ?
N12 C21 N10 125.4(6) . . ?
N12 C21 C37 117.2(6) . . ?
N10 C21 C37 117.4(6) . . ?
N4 C22 N6 124.6(6) . . ?
N4 C22 C34 118.7(6) . . ?
N6 C22 C34 116.7(6) . . ?
C24 C23 C40 117.6(6) . . ?
C24 C23 C25 122.8(6) . . ?
C40 C23 C25 119.7(6) . . ?
C23 C24 C47 119.6(7) . . ?
N6 C25 N5 124.7(6) . . ?
N6 C25 C23 116.7(6) . . ?
N5 C25 C23 118.6(6) . . ?
N7 C26 C18 123.8(6) . . ?
C51 C29 C18 118.6(6) . . ?
C51 C29 C10 122.8(6) . . ?
C18 C29 C10 118.5(6) . . ?
N9 C30 C43 122.3(7) . . ?
C55 C32 C42 119.7(7) . . ?
N1 C33 C44 122.9(7) . . ?
C60 C34 C56 118.4(7) . . ?
C60 C34 C22 122.0(6) . . ?
C56 C34 C22 119.6(6) . . ?
N11 C35 N12 125.7(6) . . ?
N11 C35 C42 116.9(6) . . ?
N12 C35 C42 117.4(6) . . ?
C43 C37 C19 117.9(6) . . ?
C43 C37 C21 121.0(6) . . ?
C19 C37 C21 121.1(6) . . ?
C17 C39 C44 117.9(6) . . ?
C17 C39 C46 120.8(6) . . ?
C44 C39 C46 121.3(6) . . ?
C49 C40 C23 119.2(7) . . ?
C58 C42 C32 119.0(7) . . ?
C58 C42 C35 119.0(6) . . ?
C32 C42 C35 121.9(6) . . ?
C37 C43 C30 119.7(6) . . ?
C33 C44 C39 119.5(7) . . ?
N9 C45 C19 123.1(7) . . ?
N5 C46 N4 125.3(6) . . ?
N5 C46 C39 117.4(6) . . ?
N4 C46 C39 117.3(6) . . ?
N2 C47 C24 122.6(7) . . ?
N1 C48 C17 124.4(7) . . ?
N2 C49 C40 123.7(7) . . ?
C54 C51 C29 118.5(7) . . ?
N8 C52 C58 123.9(7) . . ?
N7 C54 C51 124.3(7) . . ?
N8 C55 C32 122.3(7) . . ?
C57 C56 C34 118.4(7) . . ?
N3 C57 C56 123.5(7) . . ?
C42 C58 C52 118.1(7) . . ?
N3 C59 C60 124.0(8) . . ?
C34 C60 C59 118.6(7) . . ?
C48 N1 C33 117.2(6) . . ?
C48 N1 Ag1 122.9(5) . . ?
C33 N1 Ag1 119.9(5) . . ?
C49 N2 C47 117.2(6) . . ?
C49 N2 Ag1 119.5(5) . 3_455 ?
C47 N2 Ag1 123.0(5) . 3_455 ?
C59 N3 C57 116.9(7) . . ?
C59 N3 Ag2 128.5(6) . . ?
C57 N3 Ag2 113.5(5) . . ?
C22 N4 C46 114.9(6) . . ?
C46 N5 C25 114.5(6) . . ?
C25 N6 C22 116.0(6) . . ?
C26 N7 C54 116.5(6) . . ?
C26 N7 Ag2 114.4(4) . . ?
C54 N7 Ag2 128.3(5) . . ?
C52 N8 C55 117.1(7) . . ?
C52 N8 Ag1 112.4(5) . 3_556 ?
C55 N8 Ag1 130.3(5) . 3_556 ?
C45 N9 C30 118.6(6) . . ?
C45 N9 Ag2 126.9(5) . 3 ?
C30 N9 Ag2 114.5(5) . 3 ?
C10 N10 C21 115.0(6) . . ?
C35 N11 C10 114.5(6) . . ?
C35 N12 C21 114.1(6) . . ?
O1 Mo1 O1 104.4(10) 2_553 . ?
O1 Mo1 O2 104.2(4) 2_553 . ?
O1 Mo1 O2 108.5(5) . . ?
O1 Mo1 O2 108.5(5) 2_553 2_553 ?
O1 Mo1 O2 104.2(4) . 2_553 ?
O2 Mo1 O2 125.4(4) . 2_553 ?
O4 Mo2 O3 102.6(3) . . ?
O4 Mo2 O5 103.3(3) . . ?
O3 Mo2 O5 99.5(3) . . ?
O4 Mo2 O2 92.7(3) . . ?
O3 Mo2 O2 100.4(3) . . ?
O5 Mo2 O2 151.0(3) . . ?
O4 Mo2 O7 164.3(3) . 2_553 ?
O3 Mo2 O7 90.7(3) . 2_553 ?
O5 Mo2 O7 82.3(3) . 2_553 ?
O2 Mo2 O7 76.6(3) . 2_553 ?
O4 Mo2 O6 91.2(3) . . ?
O3 Mo2 O6 165.8(3) . . ?
O5 Mo2 O6 73.9(2) . . ?
O2 Mo2 O6 81.8(2) . . ?
O7 Mo2 O6 76.1(2) 2_553 . ?
O10 Mo3 O9 103.8(3) . . ?
O10 Mo3 O5 97.3(4) . . ?
O9 Mo3 O5 98.9(3) . . ?
O10 Mo3 O11 104.2(4) . . ?
O9 Mo3 O11 96.5(3) . . ?
O5 Mo3 O11 149.7(3) . . ?
O10 Mo3 O12 90.9(3) . 2_553 ?
O9 Mo3 O12 164.8(3) . 2_553 ?
O5 Mo3 O12 82.8(2) . 2_553 ?
O11 Mo3 O12 75.8(2) . 2_553 ?
O10 Mo3 O6 162.5(3) . . ?
O9 Mo3 O6 91.9(3) . . ?
O5 Mo3 O6 72.3(2) . . ?
O11 Mo3 O6 81.3(2) . . ?
O12 Mo3 O6 74.1(2) 2_553 . ?
O13 Mo4 O13 107.8(6) . 2_553 ?
O13 Mo4 O11 102.8(4) . 2_553 ?
O13 Mo4 O11 106.4(4) 2_553 2_553 ?
O13 Mo4 O11 106.4(4) . . ?
O13 Mo4 O11 102.8(4) 2_553 . ?
O11 Mo4 O11 129.4(4) 2_553 . ?
O8 Mo5 O6 113.5(3) . . ?
O8 Mo5 O7 104.5(3) . . ?
O6 Mo5 O7 110.8(3) . . ?
O8 Mo5 O12 106.9(3) . . ?
O6 Mo5 O12 111.4(3) . . ?
O7 Mo5 O12 109.3(3) . . ?
Mo1 O2 Mo2 137.1(4) . . ?
Mo2 O5 Mo3 122.2(3) . . ?
Mo5 O6 Mo2 140.5(3) . . ?
Mo5 O6 Mo3 130.3(3) . . ?
Mo2 O6 Mo3 88.6(2) . . ?
Mo5 O7 Mo2 127.7(3) . 2_553 ?
Mo4 O11 Mo3 125.9(3) . . ?
Mo5 O12 Mo3 129.2(3) . 2_553 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         1.957
_refine_diff_density_min         -0.865
_refine_diff_density_rms         0.149
_database_code_depnum_ccdc_archive 'CCDC 956855'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_380K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9867(10)
_cell_length_b                   16.5916(5)
_cell_length_c                   25.5520(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.203(6)
_cell_angle_gamma                90.00
_cell_volume                     8433.9(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    380.00(10)
_cell_measurement_reflns_used    11514
_cell_measurement_theta_min      3.2200
_cell_measurement_theta_max      28.8720

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.48192
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      380.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18212
_diffrn_reflns_av_R_equivalents  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7123
_reflns_number_gt                5688
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0741P)²+65.3017P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7123
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0472
_refine_ls_wR_factor_ref         0.1458
_refine_ls_wR_factor_gt          0.1329
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.069
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.15573(3) 0.45709(4) -0.63275(3) 0.0501(2) Uani 1 1 d . . .
Ag2 Ag -0.17779(4) 0.75508(5) -0.13326(3) 0.0567(2) Uani 1 1 d . . .
C13 C 0.0978(3) 0.9705(4) -0.0006(3) 0.0286(15) Uani 1 1 d . . .
C16 C -0.3763(3) 0.7559(4) -0.4988(3) 0.0276(15) Uani 1 1 d . . .
C18 C 0.2772(4) 1.1384(5) 0.0084(3) 0.0395(18) Uani 1 1 d . . .
H18A H 0.2979 1.1350 0.0485 0.047 Uiso 1 1 calc R . .
C19 C -0.4404(3) 0.8014(4) -0.5316(3) 0.0290(15) Uani 1 1 d . . .
C20 C 0.1818(3) 1.0525(4) 0.0055(3) 0.0297(15) Uani 1 1 d . . .
C21 C 0.0038(3) 0.8847(5) -0.0049(3) 0.0353(16) Uani 1 1 d . . .
H21A H 0.0237 0.8831 0.0353 0.042 Uiso 1 1 calc R . .
C22 C -0.2026(3) 0.5836(4) -0.4961(3) 0.0333(16) Uani 1 1 d . . .
H22A H -0.1806 0.5875 -0.4560 0.040 Uiso 1 1 calc R . .
C24 C -0.4671(4) 0.8110(5) -0.5899(3) 0.0417(19) Uani 1 1 d . . .
H24A H -0.4455 0.7898 -0.6112 0.050 Uiso 1 1 calc R . .
C26 C -0.2900(4) 0.7262(4) -0.4136(3) 0.0323(16) Uani 1 1 d . . .
C28 C -0.0559(4) 0.8442(4) -0.0364(3) 0.0370(17) Uani 1 1 d . . .
H28A H -0.0759 0.8162 -0.0163 0.044 Uiso 1 1 calc R . .
C29 C 0.2201(4) 1.1530(4) -0.1088(3) 0.0356(16) Uani 1 1 d . . .
H29A H 0.2004 1.1581 -0.1489 0.043 Uiso 1 1 calc R . .
C30 C 0.1801(3) 1.0023(4) 0.0867(3) 0.0325(16) Uani 1 1 d . . .
C32 C 0.1789(4) 0.9559(6) 0.1798(4) 0.051(2) Uani 1 1 d . . .
H32A H 0.1349 0.9381 0.1596 0.061 Uiso 1 1 calc R . .
C33 C -0.2569(4) 0.7364(4) -0.3498(3) 0.0333(16) Uani 1 1 d . . .
C34 C 0.0333(3) 0.9275(4) -0.0345(3) 0.0307(15) Uani 1 1 d . . .
C35 C -0.2644(4) 0.5648(5) -0.6122(3) 0.0390(17) Uani 1 1 d . . .
H35A H -0.2857 0.5585 -0.6522 0.047 Uiso 1 1 calc R . .
C36 C -0.2645(3) 0.6209(4) -0.5267(3) 0.0315(15) Uani 1 1 d . . .
C37 C -0.4744(4) 0.8351(5) -0.5020(3) 0.0410(19) Uani 1 1 d . . .
H37A H -0.4571 0.8308 -0.4619 0.049 Uiso 1 1 calc R . .
C39 C 0.2147(3) 1.1013(4) -0.0234(3) 0.0295(15) Uani 1 1 d . . .
C42 C -0.2961(4) 0.6095(4) -0.5860(3) 0.0363(17) Uani 1 1 d . . .
H42A H -0.3382 0.6318 -0.6077 0.044 Uiso 1 1 calc R . .
C43 C 0.2123(4) 0.9918(5) 0.1510(3) 0.0366(17) Uani 1 1 d . . .
C44 C 0.1860(3) 1.1103(4) -0.0828(3) 0.0328(16) Uani 1 1 d . . .
H44A H 0.1442 1.0878 -0.1053 0.039 Uiso 1 1 calc R . .
C45 C -0.2950(3) 0.6723(4) -0.4964(3) 0.0291(15) Uani 1 1 d . . .
C46 C -0.5267(4) 0.8528(5) -0.6172(3) 0.0407(18) Uani 1 1 d . . .
H46A H -0.5441 0.8603 -0.6570 0.049 Uiso 1 1 calc R . .
C47 C -0.5330(4) 0.8744(5) -0.5321(3) 0.045(2) Uani 1 1 d . . .
H47A H -0.5552 0.8968 -0.5116 0.054 Uiso 1 1 calc R . .
C48 C -0.1747(4) 0.5410(5) -0.5266(3) 0.0369(17) Uani 1 1 d . . .
H48A H -0.1324 0.5184 -0.5061 0.044 Uiso 1 1 calc R . .
C49 C 0.3074(4) 1.1807(5) -0.0217(4) 0.045(2) Uani 1 1 d . . .
H49A H 0.3487 1.2054 -0.0007 0.054 Uiso 1 1 calc R . .
C51 C 0.0020(4) 0.9280(5) -0.0943(3) 0.0406(18) Uani 1 1 d . . .
H51A H 0.0197 0.9577 -0.1154 0.049 Uiso 1 1 calc R . .
C52 C 0.3068(4) 1.0050(6) 0.2416(4) 0.053(2) Uani 1 1 d . . .
H52A H 0.3511 1.0216 0.2626 0.063 Uiso 1 1 calc R . .
C54 C -0.2855(4) 0.7880(5) -0.3233(3) 0.045(2) Uani 1 1 d . . .
H54A H -0.3242 0.8172 -0.3450 0.054 Uiso 1 1 calc R . .
C55 C -0.0559(4) 0.8837(5) -0.1219(3) 0.046(2) Uani 1 1 d . . .
H55A H -0.0752 0.8817 -0.1621 0.055 Uiso 1 1 calc R . .
C56 C 0.2114(4) 0.9466(6) 0.2390(3) 0.054(2) Uani 1 1 d . . .
H56A H 0.1885 0.9222 0.2581 0.065 Uiso 1 1 calc R . .
C57 C 0.2778(4) 1.0168(5) 0.1825(4) 0.046(2) Uani 1 1 d . . .
H57A H 0.3018 1.0409 0.1643 0.055 Uiso 1 1 calc R . .
C58 C -0.2545(5) 0.7942(6) -0.2640(4) 0.053(2) Uani 1 1 d . . .
H58A H -0.2735 0.8287 -0.2464 0.063 Uiso 1 1 calc R . .
C59 C -0.1719(5) 0.7085(6) -0.2568(4) 0.059(3) Uani 1 1 d . . .
H59A H -0.1327 0.6808 -0.2341 0.070 Uiso 1 1 calc R . .
C60 C -0.1979(4) 0.6991(5) -0.3160(4) 0.050(2) Uani 1 1 d . . .
H60A H -0.1756 0.6678 -0.3325 0.060 Uiso 1 1 calc R . .
N1 N -0.2046(3) 0.5302(4) -0.5835(3) 0.0360(14) Uani 1 1 d . . .
N2 N -0.5606(3) 0.8827(4) -0.5890(3) 0.0388(15) Uani 1 1 d . . .
N3 N -0.1995(4) 0.7549(5) -0.2303(3) 0.0517(18) Uani 1 1 d . . .
N4 N -0.2624(3) 0.6773(4) -0.4385(3) 0.0350(14) Uani 1 1 d . . .
N5 N -0.3521(3) 0.7101(4) -0.5287(3) 0.0340(14) Uani 1 1 d . . .
N6 N -0.3473(3) 0.7669(4) -0.4418(3) 0.0346(14) Uani 1 1 d . . .
N7 N -0.0863(3) 0.8433(4) -0.0942(3) 0.0388(15) Uani 1 1 d . . .
N8 N 0.2751(3) 0.9714(5) 0.2703(3) 0.0499(18) Uani 1 1 d . . .
N9 N 0.2798(3) 1.1870(4) -0.0788(3) 0.0367(14) Uani 1 1 d . . .
N10 N 0.1256(3) 1.0127(3) -0.0282(2) 0.0312(13) Uani 1 1 d . . .
N11 N 0.1227(3) 0.9633(4) 0.0573(3) 0.0339(14) Uani 1 1 d . . .
N12 N 0.2111(3) 1.0499(4) 0.0635(3) 0.0364(14) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.46487(7) -0.7500 0.0543(3) Uani 1 2 d S . .
Mo2 Mo -0.00129(3) 0.58983(4) -0.63920(3) 0.03291(18) Uani 1 1 d . . .
Mo3 Mo -0.00866(3) 0.79067(4) -0.64284(3) 0.03486(18) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.90716(7) -0.7500 0.0516(3) Uani 1 2 d S . .
Mo5 Mo -0.09195(3) 0.69280(4) -0.79034(3) 0.03278(18) Uani 1 1 d . . .
O1 O 0.0624(6) 0.4024(7) -0.7074(6) 0.160(6) Uani 1 1 d . . .
O2 O -0.0340(3) 0.5144(4) -0.7058(3) 0.0618(17) Uani 1 1 d . . .
O3 O 0.0526(4) 0.5281(5) -0.5861(3) 0.078(2) Uani 1 1 d . . .
O4 O -0.0724(3) 0.5815(4) -0.6303(3) 0.0680(18) Uani 1 1 d . . .
O5 O 0.0329(3) 0.6898(4) -0.6062(3) 0.0619(17) Uani 1 1 d . . .
O6 O -0.0512(4) 0.6860(4) -0.7140(3) 0.0652(18) Uani 1 1 d . . .
O7 O -0.0758(4) 0.6043(4) -0.8232(3) 0.0696(19) Uani 1 1 d . . .
O8 O -0.1762(3) 0.6971(4) -0.8168(3) 0.0669(19) Uani 1 1 d . . .
O9 O -0.0779(4) 0.7875(5) -0.6295(3) 0.076(2) Uani 1 1 d . . .
O10 O 0.0428(4) 0.8522(5) -0.5918(3) 0.082(2) Uani 1 1 d . . .
O11 O -0.0471(3) 0.8584(4) -0.7115(3) 0.0668(18) Uani 1 1 d . . .
O12 O -0.0657(3) 0.7810(4) -0.8165(3) 0.0626(17) Uani 1 1 d . . .
O13 O 0.0580(5) 0.9663(5) -0.7016(4) 0.097(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.270(6) 3_545 ?
Ag1 N8 2.301(7) 3_444 ?
Ag1 N1 2.315(6) . ?
Ag2 N9 2.277(6) 3_445 ?
Ag2 N3 2.317(7) . ?
Ag2 N7 2.340(6) . ?
C13 N10 1.314(9) . ?
C13 N11 1.348(9) . ?
C13 C34 1.491(10) . ?
C16 N6 1.329(9) . ?
C16 N5 1.339(9) . ?
C16 C19 1.500(9) . ?
C18 C49 1.400(10) . ?
C18 C39 1.405(10) . ?
C19 C24 1.358(10) . ?
C19 C37 1.388(9) . ?
C20 N10 1.341(9) . ?
C20 N12 1.342(9) . ?
C20 C39 1.475(9) . ?
C21 C34 1.382(10) . ?
C21 C28 1.387(10) . ?
C22 C48 1.374(10) . ?
C22 C36 1.393(10) . ?
C24 C46 1.381(11) . ?
C26 N4 1.326(9) . ?
C26 N6 1.337(9) . ?
C26 C33 1.486(10) . ?
C28 N7 1.336(10) . ?
C29 N9 1.330(9) . ?
C29 C44 1.389(10) . ?
C30 N11 1.329(9) . ?
C30 N12 1.336(9) . ?
C30 C43 1.497(10) . ?
C32 C56 1.378(11) . ?
C32 C43 1.377(11) . ?
C33 C60 1.363(11) . ?
C33 C54 1.396(10) . ?
C34 C51 1.384(10) . ?
C35 N1 1.333(10) . ?
C35 C42 1.373(10) . ?
C36 C42 1.386(10) . ?
C36 C45 1.488(9) . ?
C37 C47 1.355(10) . ?
C39 C44 1.383(10) . ?
C43 C57 1.380(10) . ?
C45 N5 1.330(9) . ?
C45 N4 1.346(9) . ?
C46 N2 1.334(9) . ?
C47 N2 1.322(10) . ?
C48 N1 1.329(9) . ?
C49 N9 1.326(10) . ?
C51 C55 1.376(11) . ?
C52 N8 1.330(11) . ?
C52 C57 1.382(12) . ?
C54 C58 1.373(11) . ?
C55 N7 1.342(10) . ?
C56 N8 1.348(11) . ?
C58 N3 1.320(11) . ?
C59 N3 1.329(11) . ?
C59 C60 1.378(12) . ?
N2 Ag1 2.270(6) 3_455 ?
N8 Ag1 2.301(7) 3_556 ?
N9 Ag2 2.277(6) 3 ?
Mo1 O1 1.694(10) 2_553 ?
Mo1 O1 1.694(10) . ?
Mo1 O2 1.797(6) 2_553 ?
Mo1 O2 1.797(6) . ?
Mo2 O4 1.679(6) . ?
Mo2 O3 1.710(7) . ?
Mo2 O5 1.867(7) . ?
Mo2 O2 1.985(6) . ?
Mo2 O7 2.289(6) 2_553 ?
Mo2 O6 2.371(6) . ?
Mo3 O10 1.663(7) . ?
Mo3 O9 1.696(7) . ?
Mo3 O5 1.945(7) . ?
Mo3 O11 1.948(7) . ?
Mo3 O12 2.286(6) 2_553 ?
Mo3 O6 2.398(6) . ?
Mo4 O13 1.665(8) 2_553 ?
Mo4 O13 1.665(8) . ?
Mo4 O11 1.887(7) 2_553 ?
Mo4 O11 1.887(7) . ?
Mo5 O8 1.680(6) . ?
Mo5 O6 1.769(6) . ?
Mo5 O7 1.801(7) . ?
Mo5 O12 1.802(7) . ?
O7 Mo2 2.289(6) 2_553 ?
O12 Mo3 2.286(6) 2_553 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.3(2) 3_545 3_444 ?
N2 Ag1 N1 124.1(2) 3_545 . ?
N8 Ag1 N1 106.5(2) 3_444 . ?
N9 Ag2 N3 134.5(3) 3_445 . ?
N9 Ag2 N7 123.4(2) 3_445 . ?
N3 Ag2 N7 101.9(2) . . ?
N10 C13 N11 124.9(6) . . ?
N10 C13 C34 119.3(6) . . ?
N11 C13 C34 115.9(6) . . ?
N6 C16 N5 125.5(6) . . ?
N6 C16 C19 116.3(6) . . ?
N5 C16 C19 118.2(6) . . ?
C49 C18 C39 118.6(7) . . ?
C24 C19 C37 118.0(6) . . ?
C24 C19 C16 122.5(6) . . ?
C37 C19 C16 119.5(6) . . ?
N10 C20 N12 124.7(6) . . ?
N10 C20 C39 117.6(6) . . ?
N12 C20 C39 117.6(6) . . ?
C34 C21 C28 118.6(7) . . ?
C48 C22 C36 118.5(7) . . ?
C19 C24 C46 119.1(7) . . ?
N4 C26 N6 124.7(6) . . ?
N4 C26 C33 119.1(6) . . ?
N6 C26 C33 116.3(6) . . ?
N7 C28 C21 123.5(6) . . ?
N9 C29 C44 122.8(7) . . ?
N11 C30 N12 125.3(6) . . ?
N11 C30 C43 117.0(6) . . ?
N12 C30 C43 117.6(6) . . ?
C56 C32 C43 119.4(8) . . ?
C60 C33 C54 118.3(7) . . ?
C60 C33 C26 122.2(7) . . ?
C54 C33 C26 119.5(6) . . ?
C51 C34 C21 118.6(7) . . ?
C51 C34 C13 122.7(6) . . ?
C21 C34 C13 118.7(6) . . ?
N1 C35 C42 123.4(7) . . ?
C42 C36 C22 117.9(6) . . ?
C42 C36 C45 121.3(6) . . ?
C22 C36 C45 120.8(6) . . ?
C47 C37 C19 119.2(7) . . ?
C44 C39 C18 117.6(6) . . ?
C44 C39 C20 121.1(6) . . ?
C18 C39 C20 121.2(6) . . ?
C35 C42 C36 119.1(7) . . ?
C57 C43 C32 118.7(7) . . ?
C57 C43 C30 119.5(7) . . ?
C32 C43 C30 121.8(7) . . ?
C39 C44 C29 119.6(6) . . ?
N5 C45 N4 125.0(6) . . ?
N5 C45 C36 117.6(6) . . ?
N4 C45 C36 117.4(6) . . ?
N2 C46 C24 123.0(7) . . ?
N2 C47 C37 123.7(7) . . ?
N1 C48 C22 123.9(7) . . ?
N9 C49 C18 122.8(7) . . ?
C55 C51 C34 118.6(7) . . ?
N8 C52 C57 123.8(7) . . ?
C58 C54 C33 117.8(7) . . ?
N7 C55 C51 123.8(7) . . ?
N8 C56 C32 122.6(7) . . ?
C43 C57 C52 118.4(7) . . ?
N3 C58 C54 124.7(8) . . ?
N3 C59 C60 123.9(8) . . ?
C33 C60 C59 118.8(7) . . ?
C48 N1 C35 117.2(6) . . ?
C48 N1 Ag1 122.6(5) . . ?
C35 N1 Ag1 120.2(5) . . ?
C47 N2 C46 117.0(6) . . ?
C47 N2 Ag1 119.6(5) . 3_455 ?
C46 N2 Ag1 123.1(5) . 3_455 ?
C58 N3 C59 116.3(7) . . ?
C58 N3 Ag2 114.3(5) . . ?
C59 N3 Ag2 128.0(6) . . ?
C26 N4 C45 115.2(6) . . ?
C45 N5 C16 114.4(6) . . ?
C16 N6 C26 115.1(6) . . ?
C28 N7 C55 116.8(6) . . ?
C28 N7 Ag2 114.4(5) . . ?
C55 N7 Ag2 128.2(5) . . ?
C52 N8 C56 117.2(7) . . ?
C52 N8 Ag1 112.0(5) . 3_556 ?
C56 N8 Ag1 130.6(5) . 3_556 ?
C29 N9 C49 118.6(6) . . ?
C29 N9 Ag2 114.7(5) . 3 ?
C49 N9 Ag2 126.6(5) . 3 ?
C13 N10 C20 115.5(6) . . ?
C30 N11 C13 114.9(6) . . ?
C30 N12 C20 114.5(6) . . ?
O1 Mo1 O1 104.5(10) 2_553 . ?
O1 Mo1 O2 108.4(5) 2_553 2_553 ?
O1 Mo1 O2 104.1(4) . 2_553 ?
O1 Mo1 O2 104.1(4) 2_553 . ?
O1 Mo1 O2 108.4(5) . . ?
O2 Mo1 O2 125.6(4) 2_553 . ?
O4 Mo2 O3 102.3(4) . . ?
O4 Mo2 O5 103.4(3) . . ?
O3 Mo2 O5 99.4(3) . . ?
O4 Mo2 O2 92.6(3) . . ?
O3 Mo2 O2 100.3(3) . . ?
O5 Mo2 O2 151.2(3) . . ?
O4 Mo2 O7 164.6(3) . 2_553 ?
O3 Mo2 O7 90.5(3) . 2_553 ?
O5 Mo2 O7 82.4(3) . 2_553 ?
O2 Mo2 O7 76.7(3) . 2_553 ?
O4 Mo2 O6 91.5(3) . . ?
O3 Mo2 O6 165.8(3) . . ?
O5 Mo2 O6 74.0(3) . . ?
O2 Mo2 O6 81.9(2) . . ?
O7 Mo2 O6 76.3(2) 2_553 . ?
O10 Mo3 O9 103.4(4) . . ?
O10 Mo3 O5 97.3(4) . . ?
O9 Mo3 O5 98.9(3) . . ?
O10 Mo3 O11 104.0(4) . . ?
O9 Mo3 O11 96.7(3) . . ?
O5 Mo3 O11 149.8(3) . . ?
O10 Mo3 O12 91.1(3) . 2_553 ?
O9 Mo3 O12 165.0(3) . 2_553 ?
O5 Mo3 O12 83.0(3) . 2_553 ?
O11 Mo3 O12 75.6(3) . 2_553 ?
O10 Mo3 O6 162.6(3) . . ?
O9 Mo3 O6 92.1(3) . . ?
O5 Mo3 O6 72.1(2) . . ?
O11 Mo3 O6 81.6(3) . . ?
O12 Mo3 O6 74.2(2) 2_553 . ?
O13 Mo4 O13 107.8(6) 2_553 . ?
O13 Mo4 O11 106.4(4) 2_553 2_553 ?
O13 Mo4 O11 102.8(4) . 2_553 ?
O13 Mo4 O11 102.8(4) 2_553 . ?
O13 Mo4 O11 106.4(4) . . ?
O11 Mo4 O11 129.2(4) 2_553 . ?
O8 Mo5 O6 113.6(4) . . ?
O8 Mo5 O7 104.5(3) . . ?
O6 Mo5 O7 110.8(3) . . ?
O8 Mo5 O12 106.7(3) . . ?
O6 Mo5 O12 111.6(3) . . ?
O7 Mo5 O12 109.3(3) . . ?
Mo1 O2 Mo2 137.0(4) . . ?
Mo2 O5 Mo3 122.1(3) . . ?
Mo5 O6 Mo2 140.8(3) . . ?
Mo5 O6 Mo3 129.9(3) . . ?
Mo2 O6 Mo3 88.8(2) . . ?
Mo5 O7 Mo2 127.5(3) . 2_553 ?
Mo4 O11 Mo3 126.4(4) . . ?
Mo5 O12 Mo3 129.0(3) . 2_553 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         1.882
_refine_diff_density_min         -0.953
_refine_diff_density_rms         0.151
_database_code_depnum_ccdc_archive 'CCDC 956856'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_410K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9660(9)
_cell_length_b                   16.6288(6)
_cell_length_c                   25.5315(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.158(6)
_cell_angle_gamma                90.00
_cell_volume                     8441.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    410.01(10)
_cell_measurement_reflns_used    10777
_cell_measurement_theta_min      3.2000
_cell_measurement_theta_max      28.6250

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.143
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.52911
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      410.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18231
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7132
_reflns_number_gt                5585
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0818P)²+61.8359P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7132
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1586
_refine_ls_wR_factor_gt          0.1445
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_restrained_S_all      1.084
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.34423(3) -0.04307(5) -0.63294(3) 0.0544(2) Uani 1 1 d . . .
Ag2 Ag 0.32195(4) 0.25558(5) -0.13341(3) 0.0615(2) Uani 1 1 d . . .
C7 C 0.5976(3) 0.4710(4) -0.0007(3) 0.0297(15) Uani 1 1 d . . .
C14 C 0.7771(4) 0.6382(5) 0.0085(3) 0.0414(19) Uani 1 1 d . . .
H14A H 0.7980 0.6346 0.0486 0.050 Uiso 1 1 calc R . .
C17 C 0.2974(4) 0.0842(5) -0.4960(3) 0.0368(17) Uani 1 1 d . . .
H17A H 0.3196 0.0884 -0.4560 0.044 Uiso 1 1 calc R . .
C18 C 0.1233(3) 0.2565(4) -0.4993(3) 0.0305(16) Uani 1 1 d . . .
C19 C 0.5034(4) 0.3848(5) -0.0052(3) 0.0386(18) Uani 1 1 d . . .
H19A H 0.5229 0.3835 0.0350 0.046 Uiso 1 1 calc R . .
C22 C 0.0328(4) 0.3103(5) -0.5904(4) 0.045(2) Uani 1 1 d . . .
H22A H 0.0540 0.2886 -0.6118 0.054 Uiso 1 1 calc R . .
C24 C 0.0596(4) 0.3014(4) -0.5318(3) 0.0328(16) Uani 1 1 d . . .
C25 C 0.6816(4) 0.5524(5) 0.0056(3) 0.0354(17) Uani 1 1 d . . .
C27 C 0.2094(4) 0.2260(5) -0.4140(3) 0.0333(16) Uani 1 1 d . . .
C28 C 0.4442(4) 0.3444(5) -0.0368(3) 0.0396(18) Uani 1 1 d . . .
H28A H 0.4246 0.3158 -0.0166 0.048 Uiso 1 1 calc R . .
C29 C 0.5333(3) 0.4272(5) -0.0346(3) 0.0326(16) Uani 1 1 d . . .
C30 C 0.2426(4) 0.2366(5) -0.3503(3) 0.0359(17) Uani 1 1 d . . .
C31 C 0.7199(4) 0.6532(5) -0.1093(4) 0.0386(18) Uani 1 1 d . . .
H31A H 0.7000 0.6583 -0.1493 0.046 Uiso 1 1 calc R . .
C32 C 0.6793(4) 0.4565(6) 0.1798(4) 0.053(2) Uani 1 1 d . . .
H32A H 0.6350 0.4395 0.1597 0.063 Uiso 1 1 calc R . .
C34 C 0.2355(4) 0.1213(4) -0.5263(3) 0.0344(17) Uani 1 1 d . . .
C35 C 0.2355(4) 0.0644(5) -0.6125(4) 0.0411(19) Uani 1 1 d . . .
H35A H 0.2142 0.0575 -0.6525 0.049 Uiso 1 1 calc R . .
C36 C 0.7145(4) 0.6011(4) -0.0236(3) 0.0314(16) Uani 1 1 d . . .
C37 C 0.0256(4) 0.3350(6) -0.5020(3) 0.045(2) Uani 1 1 d . . .
H37A H 0.0428 0.3308 -0.4619 0.054 Uiso 1 1 calc R . .
C38 C 0.2048(3) 0.1724(4) -0.4967(3) 0.0298(16) Uani 1 1 d . . .
C39 C 0.6797(4) 0.5021(5) 0.0862(3) 0.0369(18) Uani 1 1 d . . .
C40 C 0.7122(4) 0.4918(5) 0.1506(3) 0.0388(18) Uani 1 1 d . . .
C41 C 0.2039(4) 0.1095(5) -0.5862(3) 0.0386(18) Uani 1 1 d . . .
H41A H 0.1618 0.1320 -0.6080 0.046 Uiso 1 1 calc R . .
C43 C 0.6861(4) 0.6100(4) -0.0828(3) 0.0349(17) Uani 1 1 d . . .
H43A H 0.6444 0.5872 -0.1052 0.042 Uiso 1 1 calc R . .
C45 C 0.3252(4) 0.0412(5) -0.5267(4) 0.0416(19) Uani 1 1 d . . .
H45A H 0.3675 0.0187 -0.5062 0.050 Uiso 1 1 calc R . .
C46 C -0.0269(4) 0.3526(5) -0.6172(4) 0.045(2) Uani 1 1 d . . .
H46A H -0.0441 0.3605 -0.6570 0.054 Uiso 1 1 calc R . .
C48 C -0.0328(4) 0.3738(6) -0.5323(4) 0.049(2) Uani 1 1 d . . .
H48A H -0.0550 0.3961 -0.5119 0.059 Uiso 1 1 calc R . .
C49 C 0.8061(5) 0.5048(6) 0.2410(4) 0.057(2) Uani 1 1 d . . .
H49A H 0.8503 0.5216 0.2619 0.068 Uiso 1 1 calc R . .
C51 C 0.8066(4) 0.6806(5) -0.0219(4) 0.049(2) Uani 1 1 d . . .
H51A H 0.8477 0.7056 -0.0008 0.059 Uiso 1 1 calc R . .
C52 C 0.5022(4) 0.4280(5) -0.0943(4) 0.045(2) Uani 1 1 d . . .
H52A H 0.5199 0.4577 -0.1154 0.054 Uiso 1 1 calc R . .
C53 C 0.7779(4) 0.5161(6) 0.1820(4) 0.050(2) Uani 1 1 d . . .
H53A H 0.8023 0.5395 0.1639 0.060 Uiso 1 1 calc R . .
C54 C 0.4443(4) 0.3835(6) -0.1218(4) 0.049(2) Uani 1 1 d . . .
H54A H 0.4254 0.3808 -0.1620 0.059 Uiso 1 1 calc R . .
C56 C 0.7118(5) 0.4462(7) 0.2388(4) 0.061(3) Uani 1 1 d . . .
H56A H 0.6891 0.4208 0.2577 0.073 Uiso 1 1 calc R . .
C57 C 0.2450(5) 0.2944(6) -0.2644(4) 0.057(2) Uani 1 1 d . . .
H57A H 0.2257 0.3289 -0.2470 0.069 Uiso 1 1 calc R . .
C58 C 0.3021(5) 0.1990(6) -0.3168(4) 0.053(2) Uani 1 1 d . . .
H58A H 0.3246 0.1679 -0.3333 0.064 Uiso 1 1 calc R . .
C59 C 0.2146(5) 0.2871(6) -0.3235(4) 0.054(2) Uani 1 1 d . . .
H59A H 0.1757 0.3158 -0.3453 0.064 Uiso 1 1 calc R . .
C60 C 0.3274(5) 0.2092(7) -0.2575(4) 0.067(3) Uani 1 1 d . . .
H60A H 0.3666 0.1816 -0.2347 0.081 Uiso 1 1 calc R . .
N1 N 0.2955(3) 0.0300(4) -0.5834(3) 0.0385(15) Uani 1 1 d . . .
N2 N -0.0606(3) 0.3823(4) -0.5893(3) 0.0421(16) Uani 1 1 d . . .
N3 N 0.3005(4) 0.2547(5) -0.2307(3) 0.055(2) Uani 1 1 d . . .
N4 N 0.2375(3) 0.1770(4) -0.4387(3) 0.0384(15) Uani 1 1 d . . .
N5 N 0.1478(3) 0.2103(4) -0.5289(3) 0.0364(15) Uani 1 1 d . . .
N6 N 0.1525(3) 0.2664(4) -0.4422(3) 0.0397(15) Uani 1 1 d . . .
N7 N 0.4134(3) 0.3439(4) -0.0942(3) 0.0418(16) Uani 1 1 d . . .
N8 N 0.7753(4) 0.4718(5) 0.2701(3) 0.0528(19) Uani 1 1 d . . .
N9 N 0.7796(3) 0.6873(4) -0.0793(3) 0.0399(16) Uani 1 1 d . . .
N10 N 0.6254(3) 0.5128(4) -0.0284(3) 0.0338(14) Uani 1 1 d . . .
N11 N 0.6226(3) 0.4631(4) 0.0573(3) 0.0362(15) Uani 1 1 d . . .
N12 N 0.7111(3) 0.5495(4) 0.0634(3) 0.0401(15) Uani 1 1 d . . .
Mo1 Mo 0.5000 -0.03430(8) -0.7500 0.0579(3) Uani 1 2 d S . .
Mo2 Mo 0.49870(3) 0.09000(4) -0.63912(3) 0.03570(19) Uani 1 1 d . . .
Mo3 Mo 0.49165(4) 0.29044(4) -0.64262(3) 0.0377(2) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.40713(8) -0.7500 0.0552(3) Uani 1 2 d S . .
Mo5 Mo 0.40790(3) 0.19269(4) -0.79018(3) 0.03539(19) Uani 1 1 d . . .
O1 O 0.5630(7) -0.0969(7) -0.7079(7) 0.176(6) Uani 1 1 d . . .
O2 O 0.4662(4) 0.0143(4) -0.7056(3) 0.0682(19) Uani 1 1 d . . .
O3 O 0.5527(4) 0.0289(6) -0.5856(3) 0.090(3) Uani 1 1 d . . .
O4 O 0.4276(4) 0.0818(5) -0.6303(3) 0.074(2) Uani 1 1 d . . .
O5 O 0.5328(3) 0.1892(4) -0.6061(3) 0.0649(18) Uani 1 1 d . . .
O6 O 0.4487(4) 0.1864(4) -0.7141(3) 0.074(2) Uani 1 1 d . . .
O7 O 0.4245(4) 0.1043(5) -0.8229(3) 0.073(2) Uani 1 1 d . . .
O8 O 0.3235(3) 0.1969(4) -0.8171(3) 0.070(2) Uani 1 1 d . . .
O9 O 0.4227(4) 0.2876(5) -0.6293(4) 0.082(2) Uani 1 1 d . . .
O10 O 0.5435(4) 0.3511(6) -0.5915(3) 0.091(3) Uani 1 1 d . . .
O11 O 0.4533(4) 0.3582(5) -0.7111(3) 0.075(2) Uani 1 1 d . . .
O12 O 0.4345(4) 0.2807(4) -0.8166(3) 0.0678(19) Uani 1 1 d . . .
O13 O 0.5584(5) 0.4659(6) -0.7021(4) 0.104(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.273(6) 3_545 ?
Ag1 N8 2.301(7) 3_444 ?
Ag1 N1 2.319(6) . ?
Ag2 N9 2.271(6) 3_445 ?
Ag2 N3 2.322(7) . ?
Ag2 N7 2.341(6) . ?
C7 N10 1.313(9) . ?
C7 N11 1.349(9) . ?
C7 C29 1.494(10) . ?
C14 C51 1.397(11) . ?
C14 C36 1.408(11) . ?
C17 C45 1.380(11) . ?
C17 C34 1.389(10) . ?
C18 N6 1.329(9) . ?
C18 N5 1.340(9) . ?
C18 C24 1.488(10) . ?
C19 C28 1.379(11) . ?
C19 C29 1.382(10) . ?
C22 C24 1.363(11) . ?
C22 C46 1.384(12) . ?
C24 C37 1.391(10) . ?
C25 N12 1.337(10) . ?
C25 N10 1.342(10) . ?
C25 C36 1.481(10) . ?
C27 N6 1.329(10) . ?
C27 N4 1.332(9) . ?
C27 C30 1.482(10) . ?
C28 N7 1.328(10) . ?
C29 C52 1.381(11) . ?
C30 C58 1.371(11) . ?
C30 C59 1.381(11) . ?
C31 N9 1.332(10) . ?
C31 C43 1.397(10) . ?
C32 C56 1.375(12) . ?
C32 C40 1.371(11) . ?
C34 C41 1.398(11) . ?
C34 C38 1.477(10) . ?
C35 N1 1.334(10) . ?
C35 C41 1.378(11) . ?
C36 C43 1.377(10) . ?
C37 C48 1.347(11) . ?
C38 N5 1.329(10) . ?
C38 N4 1.344(10) . ?
C39 N11 1.323(10) . ?
C39 N12 1.334(10) . ?
C39 C40 1.498(10) . ?
C40 C53 1.381(11) . ?
C45 N1 1.323(10) . ?
C46 N2 1.324(10) . ?
C48 N2 1.325(10) . ?
C49 N8 1.320(12) . ?
C49 C53 1.376(13) . ?
C51 N9 1.330(11) . ?
C52 C54 1.379(12) . ?
C54 N7 1.342(10) . ?
C56 N8 1.348(12) . ?
C57 N3 1.331(12) . ?
C57 C59 1.371(12) . ?
C58 C60 1.384(13) . ?
C60 N3 1.318(12) . ?
N2 Ag1 2.273(6) 3_455 ?
N8 Ag1 2.301(7) 3_556 ?
N9 Ag2 2.271(6) 3 ?
Mo1 O1 1.700(11) 2_653 ?
Mo1 O1 1.700(11) . ?
Mo1 O2 1.789(7) . ?
Mo1 O2 1.789(7) 2_653 ?
Mo2 O4 1.676(7) . ?
Mo2 O3 1.712(7) . ?
Mo2 O5 1.859(7) . ?
Mo2 O2 1.988(7) . ?
Mo2 O7 2.289(7) 2_653 ?
Mo2 O6 2.377(7) . ?
Mo3 O10 1.661(7) . ?
Mo3 O9 1.689(7) . ?
Mo3 O11 1.945(7) . ?
Mo3 O5 1.950(7) . ?
Mo3 O12 2.276(6) 2_653 ?
Mo3 O6 2.397(7) . ?
Mo4 O13 1.662(9) 2_653 ?
Mo4 O13 1.662(9) . ?
Mo4 O11 1.890(7) . ?
Mo4 O11 1.890(7) 2_653 ?
Mo5 O8 1.682(6) . ?
Mo5 O6 1.764(7) . ?
Mo5 O7 1.802(8) . ?
Mo5 O12 1.809(7) . ?
O7 Mo2 2.289(7) 2_653 ?
O12 Mo3 2.276(6) 2_653 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N8 129.3(3) 3_545 3_444 ?
N2 Ag1 N1 124.1(2) 3_545 . ?
N8 Ag1 N1 106.6(3) 3_444 . ?
N9 Ag2 N3 134.3(3) 3_445 . ?
N9 Ag2 N7 123.5(2) 3_445 . ?
N3 Ag2 N7 102.1(3) . . ?
N10 C7 N11 125.3(6) . . ?
N10 C7 C29 119.1(6) . . ?
N11 C7 C29 115.6(6) . . ?
C51 C14 C36 117.9(7) . . ?
C45 C17 C34 118.6(7) . . ?
N6 C18 N5 124.5(7) . . ?
N6 C18 C24 116.8(6) . . ?
N5 C18 C24 118.7(6) . . ?
C28 C19 C29 118.6(7) . . ?
C24 C22 C46 118.4(7) . . ?
C22 C24 C37 118.3(7) . . ?
C22 C24 C18 122.2(7) . . ?
C37 C24 C18 119.5(7) . . ?
N12 C25 N10 125.3(7) . . ?
N12 C25 C36 117.6(7) . . ?
N10 C25 C36 117.0(7) . . ?
N6 C27 N4 124.7(7) . . ?
N6 C27 C30 116.5(6) . . ?
N4 C27 C30 118.7(6) . . ?
N7 C28 C19 124.1(7) . . ?
C52 C29 C19 118.6(7) . . ?
C52 C29 C7 122.5(7) . . ?
C19 C29 C7 118.9(6) . . ?
C58 C30 C59 118.3(8) . . ?
C58 C30 C27 121.7(7) . . ?
C59 C30 C27 120.0(7) . . ?
N9 C31 C43 122.5(7) . . ?
C56 C32 C40 120.0(8) . . ?
C17 C34 C41 117.4(7) . . ?
C17 C34 C38 121.5(7) . . ?
C41 C34 C38 121.2(7) . . ?
N1 C35 C41 122.9(7) . . ?
C43 C36 C14 117.8(6) . . ?
C43 C36 C25 121.4(7) . . ?
C14 C36 C25 120.8(7) . . ?
C48 C37 C24 118.7(7) . . ?
N5 C38 N4 125.1(6) . . ?
N5 C38 C34 118.2(7) . . ?
N4 C38 C34 116.8(6) . . ?
N11 C39 N12 126.2(7) . . ?
N11 C39 C40 116.9(6) . . ?
N12 C39 C40 116.9(7) . . ?
C32 C40 C53 118.2(8) . . ?
C32 C40 C39 122.0(7) . . ?
C53 C40 C39 119.8(7) . . ?
C35 C41 C34 119.4(7) . . ?
C36 C43 C31 120.0(7) . . ?
N1 C45 C17 124.2(7) . . ?
N2 C46 C22 123.6(8) . . ?
N2 C48 C37 124.4(7) . . ?
N8 C49 C53 124.9(8) . . ?
N9 C51 C14 124.0(8) . . ?
C29 C52 C54 118.3(7) . . ?
C49 C53 C40 118.0(8) . . ?
N7 C54 C52 124.0(8) . . ?
N8 C56 C32 122.4(8) . . ?
N3 C57 C59 123.5(8) . . ?
C30 C58 C60 117.4(8) . . ?
C57 C59 C30 119.3(8) . . ?
N3 C60 C58 125.4(9) . . ?
C45 N1 C35 117.5(6) . . ?
C45 N1 Ag1 122.9(5) . . ?
C35 N1 Ag1 119.6(5) . . ?
C48 N2 C46 116.6(7) . . ?
C48 N2 Ag1 119.8(5) . 3_455 ?
C46 N2 Ag1 123.3(5) . 3_455 ?
C60 N3 C57 116.0(8) . . ?
C60 N3 Ag2 128.8(7) . . ?
C57 N3 Ag2 113.8(6) . . ?
C27 N4 C38 114.8(6) . . ?
C38 N5 C18 115.0(6) . . ?
C27 N6 C18 115.9(6) . . ?
C28 N7 C54 116.3(7) . . ?
C28 N7 Ag2 114.8(5) . . ?
C54 N7 Ag2 128.0(6) . . ?
C49 N8 C56 116.5(7) . . ?
C49 N8 Ag1 112.9(6) . 3_556 ?
C56 N8 Ag1 130.3(6) . 3_556 ?
C51 N9 C31 117.8(7) . . ?
C51 N9 Ag2 127.3(5) . 3 ?
C31 N9 Ag2 114.9(5) . 3 ?
C7 N10 C25 114.9(6) . . ?
C39 N11 C7 114.3(6) . . ?
C39 N12 C25 113.9(6) . . ?
O1 Mo1 O1 104.4(11) 2_653 . ?
O1 Mo1 O2 103.4(5) 2_653 . ?
O1 Mo1 O2 108.8(5) . . ?
O1 Mo1 O2 108.8(5) 2_653 2_653 ?
O1 Mo1 O2 103.4(5) . 2_653 ?
O2 Mo1 O2 126.3(5) . 2_653 ?
O4 Mo2 O3 102.3(4) . . ?
O4 Mo2 O5 103.3(3) . . ?
O3 Mo2 O5 99.0(4) . . ?
O4 Mo2 O2 92.7(3) . . ?
O3 Mo2 O2 100.5(4) . . ?
O5 Mo2 O2 151.5(3) . . ?
O4 Mo2 O7 164.3(3) . 2_653 ?
O3 Mo2 O7 90.8(3) . 2_653 ?
O5 Mo2 O7 82.7(3) . 2_653 ?
O2 Mo2 O7 76.4(3) . 2_653 ?
O4 Mo2 O6 91.4(3) . . ?
O3 Mo2 O6 165.8(4) . . ?
O5 Mo2 O6 74.1(3) . . ?
O2 Mo2 O6 82.2(3) . . ?
O7 Mo2 O6 76.2(3) 2_653 . ?
O10 Mo3 O9 103.5(4) . . ?
O10 Mo3 O11 104.2(4) . . ?
O9 Mo3 O11 96.5(4) . . ?
O10 Mo3 O5 97.2(4) . . ?
O9 Mo3 O5 98.8(4) . . ?
O11 Mo3 O5 149.9(3) . . ?
O10 Mo3 O12 91.1(3) . 2_653 ?
O9 Mo3 O12 164.9(4) . 2_653 ?
O11 Mo3 O12 75.6(3) . 2_653 ?
O5 Mo3 O12 83.2(3) . 2_653 ?
O10 Mo3 O6 162.5(4) . . ?
O9 Mo3 O6 92.1(4) . . ?
O11 Mo3 O6 81.6(3) . . ?
O5 Mo3 O6 72.1(3) . . ?
O12 Mo3 O6 74.2(3) 2_653 . ?
O13 Mo4 O13 107.9(7) 2_653 . ?
O13 Mo4 O11 102.6(4) 2_653 . ?
O13 Mo4 O11 106.7(4) . . ?
O13 Mo4 O11 106.7(4) 2_653 2_653 ?
O13 Mo4 O11 102.6(4) . 2_653 ?
O11 Mo4 O11 129.0(4) . 2_653 ?
O8 Mo5 O6 114.1(4) . . ?
O8 Mo5 O7 104.4(4) . . ?
O6 Mo5 O7 110.7(4) . . ?
O8 Mo5 O12 106.8(3) . . ?
O6 Mo5 O12 111.4(4) . . ?
O7 Mo5 O12 109.1(3) . . ?
Mo1 O2 Mo2 137.0(4) . . ?
Mo2 O5 Mo3 122.3(4) . . ?
Mo5 O6 Mo2 140.5(4) . . ?
Mo5 O6 Mo3 130.3(4) . . ?
Mo2 O6 Mo3 88.7(2) . . ?
Mo5 O7 Mo2 127.7(3) . 2_653 ?
Mo4 O11 Mo3 126.7(4) . . ?
Mo5 O12 Mo3 129.3(4) . 2_653 ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         2.159
_refine_diff_density_min         -0.862
_refine_diff_density_rms         0.156
_database_code_depnum_ccdc_archive 'CCDC 956857'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_440K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9475(9)
_cell_length_b                   16.6741(7)
_cell_length_c                   25.5226(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.119(6)
_cell_angle_gamma                90.00
_cell_volume                     8456.8(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    440.00(10)
_cell_measurement_reflns_used    10305
_cell_measurement_theta_min      3.1840
_cell_measurement_theta_max      28.6150

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.250
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.40406
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      440.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18285
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7142
_reflns_number_gt                5448
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0882P)²+57.4876P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7142
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0526
_refine_ls_wR_factor_ref         0.1692
_refine_ls_wR_factor_gt          0.1502
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.32170(4) 0.74386(6) -0.13357(3) 0.0666(3) Uani 1 1 d . . .
Ag2 Ag 0.84425(4) 0.54332(5) 0.36689(3) 0.0585(2) Uani 1 1 d . . .
Mo1 Mo 1.0000 0.53360(8) 0.2500 0.0605(4) Uani 1 2 d S . .
Mo2 Mo 0.99866(4) 0.40982(4) 0.36097(3) 0.0386(2) Uani 1 1 d . . .
Mo3 Mo 0.99198(4) 0.20983(5) 0.35758(3) 0.0406(2) Uani 1 1 d . . .
Mo4 Mo 1.0000 0.09296(8) 0.2500 0.0583(3) Uani 1 2 d S . .
Mo5 Mo 0.90780(3) 0.30751(4) 0.21004(3) 0.0381(2) Uani 1 1 d . . .
C8 C 0.5975(4) 0.5283(4) -0.0011(3) 0.0336(17) Uani 1 1 d . . .
C14 C 0.6234(4) 0.2440(4) 0.5004(3) 0.0339(17) Uani 1 1 d . . .
C15 C 0.5597(4) 0.1987(5) 0.4680(3) 0.0354(17) Uani 1 1 d . . .
C17 C 0.7764(4) 0.3615(5) 0.0081(4) 0.045(2) Uani 1 1 d . . .
H17A H 0.7969 0.3646 0.0483 0.053 Uiso 1 1 calc R . .
C19 C 0.5036(4) 0.6150(5) -0.0052(3) 0.0405(19) Uani 1 1 d . . .
H19A H 0.5233 0.6165 0.0350 0.049 Uiso 1 1 calc R . .
C20 C 0.7975(4) 0.4164(5) 0.5038(4) 0.0396(18) Uani 1 1 d . . .
H20A H 0.8195 0.4123 0.5439 0.048 Uiso 1 1 calc R . .
C22 C 0.5325(4) 0.1904(6) 0.4094(4) 0.048(2) Uani 1 1 d . . .
H22A H 0.5535 0.2129 0.3880 0.057 Uiso 1 1 calc R . .
C23 C 0.6814(4) 0.4478(5) 0.0050(4) 0.0363(18) Uani 1 1 d . . .
C25 C 0.7198(4) 0.3471(5) -0.1095(4) 0.0404(19) Uani 1 1 d . . .
H25A H 0.7004 0.3425 -0.1496 0.048 Uiso 1 1 calc R . .
C26 C 0.4437(4) 0.6551(5) -0.0372(4) 0.0423(19) Uani 1 1 d . . .
H26A H 0.4238 0.6833 -0.0171 0.051 Uiso 1 1 calc R . .
C29 C 0.6790(5) 0.5440(6) 0.1794(4) 0.058(3) Uani 1 1 d . . .
H29A H 0.6350 0.5618 0.1590 0.070 Uiso 1 1 calc R . .
C30 C 0.7096(4) 0.2740(5) 0.5858(3) 0.0391(18) Uani 1 1 d . . .
C31 C 0.5330(4) 0.5727(5) -0.0351(3) 0.0354(17) Uani 1 1 d . . .
C32 C 0.7427(4) 0.2637(5) 0.6492(4) 0.0411(19) Uani 1 1 d . . .
C33 C 0.7352(4) 0.3791(5) 0.4730(3) 0.0373(18) Uani 1 1 d . . .
C34 C 0.6799(4) 0.4980(5) 0.0857(3) 0.0371(18) Uani 1 1 d . . .
C35 C 0.7120(4) 0.5076(5) 0.1504(3) 0.0391(18) Uani 1 1 d . . .
C36 C 0.7358(4) 0.4351(6) 0.3872(4) 0.049(2) Uani 1 1 d . . .
H36A H 0.7148 0.4412 0.3473 0.058 Uiso 1 1 calc R . .
C37 C 0.7038(4) 0.3905(5) 0.4138(4) 0.044(2) Uani 1 1 d . . .
H37A H 0.6617 0.3684 0.3920 0.053 Uiso 1 1 calc R . .
C39 C 0.7046(4) 0.3278(4) 0.5031(4) 0.0340(17) Uani 1 1 d . . .
C40 C 0.7146(4) 0.3990(4) -0.0239(3) 0.0351(17) Uani 1 1 d . . .
C42 C 0.5256(4) 0.1650(6) 0.4978(4) 0.049(2) Uani 1 1 d . . .
H42A H 0.5428 0.1690 0.5379 0.059 Uiso 1 1 calc R . .
C43 C 0.8252(4) 0.4590(5) 0.4734(4) 0.043(2) Uani 1 1 d . . .
H43A H 0.8674 0.4817 0.4938 0.052 Uiso 1 1 calc R . .
C46 C 0.6856(4) 0.3894(5) -0.0833(3) 0.0386(18) Uani 1 1 d . . .
H46A H 0.6434 0.4111 -0.1056 0.046 Uiso 1 1 calc R . .
C47 C 0.8065(5) 0.3192(6) -0.0221(4) 0.054(2) Uani 1 1 d . . .
H47A H 0.8476 0.2943 -0.0009 0.065 Uiso 1 1 calc R . .
C49 C 0.8062(5) 0.4949(7) 0.2408(4) 0.059(3) Uani 1 1 d . . .
H49A H 0.8501 0.4772 0.2618 0.071 Uiso 1 1 calc R . .
C50 C 0.4669(5) 0.1265(6) 0.4673(4) 0.053(2) Uani 1 1 d . . .
H50A H 0.4443 0.1045 0.4876 0.064 Uiso 1 1 calc R . .
C51 C 0.4730(4) 0.1479(6) 0.3820(4) 0.049(2) Uani 1 1 d . . .
H51A H 0.4559 0.1398 0.3422 0.058 Uiso 1 1 calc R . .
C52 C 0.7111(5) 0.5539(7) 0.2384(4) 0.065(3) Uani 1 1 d . . .
H52A H 0.6881 0.5785 0.2574 0.078 Uiso 1 1 calc R . .
C53 C 0.7456(5) 0.2058(7) 0.7355(4) 0.061(3) Uani 1 1 d . . .
H53A H 0.7268 0.1710 0.7531 0.073 Uiso 1 1 calc R . .
C54 C 0.5015(4) 0.5722(6) -0.0947(4) 0.049(2) Uani 1 1 d . . .
H54A H 0.5191 0.5425 -0.1160 0.058 Uiso 1 1 calc R . .
C55 C 0.4438(5) 0.6163(6) -0.1222(4) 0.053(2) Uani 1 1 d . . .
H55A H 0.4248 0.6188 -0.1624 0.064 Uiso 1 1 calc R . .
C56 C 0.8020(5) 0.3002(6) 0.6828(4) 0.057(3) Uani 1 1 d . . .
H56A H 0.8248 0.3308 0.6663 0.068 Uiso 1 1 calc R . .
C58 C 0.7145(5) 0.2129(7) 0.6765(4) 0.058(3) Uani 1 1 d . . .
H58A H 0.6753 0.1844 0.6549 0.069 Uiso 1 1 calc R . .
C59 C 0.7777(5) 0.4840(6) 0.1816(4) 0.056(2) Uani 1 1 d . . .
H59A H 0.8022 0.4614 0.1632 0.067 Uiso 1 1 calc R . .
C60 C 0.8277(5) 0.2905(8) 0.7426(4) 0.072(3) Uani 1 1 d . . .
H60A H 0.8669 0.3182 0.7653 0.086 Uiso 1 1 calc R . .
N1 N 0.4132(3) 0.6558(4) -0.0945(3) 0.0440(17) Uani 1 1 d . . .
N2 N 0.7793(3) 0.3129(4) -0.0793(3) 0.0411(16) Uani 1 1 d . . .
N3 N 0.7753(4) 0.5290(5) 0.2699(3) 0.060(2) Uani 1 1 d . . .
N4 N 0.6228(3) 0.5372(4) 0.0571(3) 0.0395(16) Uani 1 1 d . . .
N5 N 0.6252(3) 0.4869(4) -0.0289(3) 0.0377(15) Uani 1 1 d . . .
N6 N 0.7109(3) 0.4502(4) 0.0628(3) 0.0437(17) Uani 1 1 d . . .
N7 N 0.7955(3) 0.4698(4) 0.4166(3) 0.0416(16) Uani 1 1 d . . .
N8 N 0.4396(3) 0.1182(5) 0.4105(3) 0.0449(17) Uani 1 1 d . . .
N9 N 0.8008(4) 0.2455(5) 0.7692(3) 0.058(2) Uani 1 1 d . . .
N10 N 0.7377(3) 0.3229(4) 0.5610(3) 0.0413(16) Uani 1 1 d . . .
N11 N 0.6476(3) 0.2900(4) 0.4706(3) 0.0382(15) Uani 1 1 d . . .
N12 N 0.6525(3) 0.2337(4) 0.5575(3) 0.0430(17) Uani 1 1 d . . .
O1 O 1.0632(8) 0.5956(8) 0.2915(8) 0.189(7) Uani 1 1 d . . .
O2 O 0.9665(4) 0.4854(5) 0.2946(3) 0.077(2) Uani 1 1 d . . .
O3 O 1.0535(4) 0.4704(6) 0.4149(4) 0.098(3) Uani 1 1 d . . .
O4 O 0.9276(4) 0.4189(5) 0.3697(3) 0.082(2) Uani 1 1 d . . .
O5 O 1.0332(4) 0.3104(5) 0.3942(3) 0.071(2) Uani 1 1 d . . .
O6 O 0.9482(4) 0.3136(5) 0.2855(3) 0.079(2) Uani 1 1 d . . .
O7 O 0.9245(4) 0.3957(5) 0.1770(3) 0.079(2) Uani 1 1 d . . .
O8 O 0.9342(4) 0.2200(5) 0.1833(4) 0.075(2) Uani 1 1 d . . .
O9 O 0.9226(4) 0.2119(6) 0.3707(4) 0.093(3) Uani 1 1 d . . .
O10 O 1.0446(5) 0.1507(7) 0.4092(4) 0.105(3) Uani 1 1 d . . .
O11 O 0.9533(4) 0.1422(5) 0.2887(3) 0.081(2) Uani 1 1 d . . .
O12 O 0.8237(3) 0.3037(4) 0.1828(4) 0.074(2) Uani 1 1 d . . .
O13 O 1.0584(6) 0.0343(6) 0.2973(5) 0.116(3) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.280(6) 3_455 ?
Ag1 N9 2.325(7) 3_454 ?
Ag1 N1 2.342(7) . ?
Ag2 N8 2.280(7) 3 ?
Ag2 N3 2.300(8) . ?
Ag2 N7 2.327(6) . ?
Mo1 O1 1.693(12) . ?
Mo1 O1 1.693(12) 2_755 ?
Mo1 O2 1.786(7) . ?
Mo1 O2 1.786(7) 2_755 ?
Mo2 O4 1.673(7) . ?
Mo2 O3 1.719(8) . ?
Mo2 O5 1.870(8) . ?
Mo2 O2 1.986(8) . ?
Mo2 O7 2.286(8) 2_755 ?
Mo2 O6 2.387(8) . ?
Mo3 O10 1.658(8) . ?
Mo3 O9 1.692(8) . ?
Mo3 O5 1.946(8) . ?
Mo3 O11 1.953(8) . ?
Mo3 O8 2.275(7) 2_755 ?
Mo3 O6 2.409(8) . ?
Mo4 O13 1.656(10) 2_755 ?
Mo4 O13 1.656(10) . ?
Mo4 O11 1.887(8) . ?
Mo4 O11 1.887(8) 2_755 ?
Mo5 O12 1.675(6) . ?
Mo5 O6 1.748(8) . ?
Mo5 O7 1.808(8) . ?
Mo5 O8 1.807(8) . ?
C8 N5 1.309(10) . ?
C8 N4 1.355(10) . ?
C8 C31 1.504(11) . ?
C14 N12 1.331(10) . ?
C14 N11 1.339(10) . ?
C14 C15 1.493(11) . ?
C15 C22 1.361(12) . ?
C15 C42 1.394(11) . ?
C17 C40 1.399(11) . ?
C17 C47 1.399(11) . ?
C19 C31 1.383(11) . ?
C19 C26 1.390(11) . ?
C20 C43 1.370(11) . ?
C20 C33 1.400(11) . ?
C22 C51 1.386(12) . ?
C23 N6 1.335(10) . ?
C23 N5 1.337(10) . ?
C23 C40 1.482(10) . ?
C25 N2 1.331(10) . ?
C25 C46 1.393(11) . ?
C26 N1 1.325(11) . ?
C29 C52 1.377(13) . ?
C29 C35 1.376(12) . ?
C30 N12 1.333(10) . ?
C30 N10 1.332(10) . ?
C30 C32 1.477(11) . ?
C31 C54 1.379(12) . ?
C32 C56 1.361(12) . ?
C32 C58 1.397(12) . ?
C33 C37 1.383(11) . ?
C33 C39 1.487(11) . ?
C34 N4 1.324(10) . ?
C34 N6 1.333(10) . ?
C34 C35 1.505(11) . ?
C35 C59 1.375(12) . ?
C36 N7 1.333(11) . ?
C36 C37 1.381(11) . ?
C39 N11 1.330(10) . ?
C39 N10 1.343(10) . ?
C40 C46 1.382(11) . ?
C42 C50 1.351(12) . ?
C43 N7 1.325(11) . ?
C47 N2 1.327(12) . ?
C49 N3 1.329(12) . ?
C49 C59 1.381(14) . ?
C50 N8 1.321(11) . ?
C51 N8 1.328(11) . ?
C52 N3 1.356(13) . ?
C53 N9 1.327(13) . ?
C53 C58 1.371(13) . ?
C54 C55 1.373(12) . ?
C55 N1 1.335(11) . ?
C56 C60 1.393(13) . ?
C60 N9 1.309(13) . ?
N2 Ag1 2.280(6) 3_545 ?
N8 Ag2 2.280(7) 3_445 ?
N9 Ag1 2.325(7) 3_546 ?
O7 Mo2 2.286(7) 2_755 ?
O8 Mo3 2.275(7) 2_755 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N9 134.1(3) 3_455 3_454 ?
N2 Ag1 N1 123.7(3) 3_455 . ?
N9 Ag1 N1 101.9(3) 3_454 . ?
N8 Ag2 N3 129.1(3) 3 . ?
N8 Ag2 N7 124.2(3) 3 . ?
N3 Ag2 N7 106.6(3) . . ?
O1 Mo1 O1 104.7(13) . 2_755 ?
O1 Mo1 O2 109.0(6) . . ?
O1 Mo1 O2 103.0(5) 2_755 . ?
O1 Mo1 O2 103.0(5) . 2_755 ?
O1 Mo1 O2 109.0(6) 2_755 2_755 ?
O2 Mo1 O2 126.5(5) . 2_755 ?
O4 Mo2 O3 102.5(4) . . ?
O4 Mo2 O5 103.9(4) . . ?
O3 Mo2 O5 98.4(4) . . ?
O4 Mo2 O2 92.4(4) . . ?
O3 Mo2 O2 100.7(4) . . ?
O5 Mo2 O2 151.5(3) . . ?
O4 Mo2 O7 164.3(3) . 2_755 ?
O3 Mo2 O7 90.5(4) . 2_755 ?
O5 Mo2 O7 82.6(3) . 2_755 ?
O2 Mo2 O7 76.3(3) . 2_755 ?
O4 Mo2 O6 91.7(4) . . ?
O3 Mo2 O6 165.4(4) . . ?
O5 Mo2 O6 74.4(3) . . ?
O2 Mo2 O6 82.1(3) . . ?
O7 Mo2 O6 76.2(3) 2_755 . ?
O10 Mo3 O9 103.7(4) . . ?
O10 Mo3 O5 96.1(5) . . ?
O9 Mo3 O5 99.3(4) . . ?
O10 Mo3 O11 105.2(5) . . ?
O9 Mo3 O11 96.1(4) . . ?
O5 Mo3 O11 150.0(3) . . ?
O10 Mo3 O8 91.0(3) . 2_755 ?
O9 Mo3 O8 164.7(4) . 2_755 ?
O5 Mo3 O8 83.1(3) . 2_755 ?
O11 Mo3 O8 75.7(3) . 2_755 ?
O10 Mo3 O6 162.1(4) . . ?
O9 Mo3 O6 92.0(4) . . ?
O5 Mo3 O6 72.6(3) . . ?
O11 Mo3 O6 81.2(3) . . ?
O8 Mo3 O6 74.1(3) 2_755 . ?
O13 Mo4 O13 107.6(7) 2_755 . ?
O13 Mo4 O11 102.4(5) 2_755 . ?
O13 Mo4 O11 107.5(5) . . ?
O13 Mo4 O11 107.5(5) 2_755 2_755 ?
O13 Mo4 O11 102.4(5) . 2_755 ?
O11 Mo4 O11 128.4(5) . 2_755 ?
O12 Mo5 O6 114.4(4) . . ?
O12 Mo5 O7 104.1(4) . . ?
O6 Mo5 O7 111.0(4) . . ?
O12 Mo5 O8 106.7(3) . . ?
O6 Mo5 O8 111.7(4) . . ?
O7 Mo5 O8 108.6(3) . . ?
N5 C8 N4 125.6(7) . . ?
N5 C8 C31 119.1(7) . . ?
N4 C8 C31 115.3(6) . . ?
N12 C14 N11 125.1(7) . . ?
N12 C14 C15 116.3(7) . . ?
N11 C14 C15 118.6(7) . . ?
C22 C15 C42 118.1(7) . . ?
C22 C15 C14 122.2(7) . . ?
C42 C15 C14 119.6(7) . . ?
C40 C17 C47 118.1(8) . . ?
C31 C19 C26 117.8(7) . . ?
C43 C20 C33 118.3(8) . . ?
C15 C22 C51 119.2(8) . . ?
N6 C23 N5 125.6(7) . . ?
N6 C23 C40 117.1(7) . . ?
N5 C23 C40 117.4(7) . . ?
N2 C25 C46 122.4(8) . . ?
N1 C26 C19 124.1(7) . . ?
C52 C29 C35 119.9(9) . . ?
N12 C30 N10 124.8(7) . . ?
N12 C30 C32 116.5(7) . . ?
N10 C30 C32 118.7(7) . . ?
C54 C31 C19 118.7(7) . . ?
C54 C31 C8 122.8(7) . . ?
C19 C31 C8 118.5(7) . . ?
C56 C32 C58 117.7(8) . . ?
C56 C32 C30 122.2(8) . . ?
C58 C32 C30 120.1(8) . . ?
C37 C33 C20 117.8(7) . . ?
C37 C33 C39 121.3(7) . . ?
C20 C33 C39 120.9(7) . . ?
N4 C34 N6 126.4(7) . . ?
N4 C34 C35 116.4(7) . . ?
N6 C34 C35 117.2(7) . . ?
C59 C35 C29 118.6(8) . . ?
C59 C35 C34 119.4(7) . . ?
C29 C35 C34 121.9(7) . . ?
N7 C36 C37 122.7(8) . . ?
C36 C37 C33 119.3(8) . . ?
N11 C39 N10 125.7(7) . . ?
N11 C39 C33 117.5(7) . . ?
N10 C39 C33 116.8(7) . . ?
C46 C40 C17 118.1(7) . . ?
C46 C40 C23 120.9(7) . . ?
C17 C40 C23 121.0(7) . . ?
C50 C42 C15 118.7(8) . . ?
N7 C43 C20 124.0(8) . . ?
C40 C46 C25 119.6(7) . . ?
N2 C47 C17 123.4(8) . . ?
N3 C49 C59 124.6(9) . . ?
N8 C50 C42 124.0(8) . . ?
N8 C51 C22 122.3(8) . . ?
N3 C52 C29 122.2(9) . . ?
N9 C53 C58 124.1(9) . . ?
C55 C54 C31 118.7(8) . . ?
N1 C55 C54 123.9(8) . . ?
C32 C56 C60 118.2(8) . . ?
C53 C58 C32 118.7(9) . . ?
C35 C59 C49 118.1(9) . . ?
N9 C60 C56 125.0(9) . . ?
C26 N1 C55 116.6(7) . . ?
C26 N1 Ag1 114.5(5) . . ?
C55 N1 Ag1 128.1(6) . . ?
C47 N2 C25 118.4(7) . . ?
C47 N2 Ag1 126.9(6) . 3_545 ?
C25 N2 Ag1 114.6(5) . 3_545 ?
C49 N3 C52 116.6(8) . . ?
C49 N3 Ag2 112.8(6) . . ?
C52 N3 Ag2 130.5(6) . . ?
C34 N4 C8 113.7(6) . . ?
C8 N5 C23 114.8(7) . . ?
C34 N6 C23 113.8(7) . . ?
C43 N7 C36 117.7(7) . . ?
C43 N7 Ag2 122.8(5) . . ?
C36 N7 Ag2 119.5(5) . . ?
C50 N8 C51 117.6(7) . . ?
C50 N8 Ag2 119.2(5) . 3_445 ?
C51 N8 Ag2 122.9(6) . 3_445 ?
C60 N9 C53 116.0(8) . . ?
C60 N9 Ag1 129.3(7) . 3_546 ?
C53 N9 Ag1 113.4(6) . 3_546 ?
C30 N10 C39 114.6(7) . . ?
C39 N11 C14 114.3(7) . . ?
C14 N12 C30 115.5(7) . . ?
Mo1 O2 Mo2 137.4(5) . . ?
Mo2 O5 Mo3 122.0(4) . . ?
Mo5 O6 Mo2 140.6(4) . . ?
Mo5 O6 Mo3 130.6(4) . . ?
Mo2 O6 Mo3 88.2(3) . . ?
Mo5 O7 Mo2 127.8(4) . 2_755 ?
Mo5 O8 Mo3 129.7(4) . 2_755 ?
Mo4 O11 Mo3 126.7(4) . . ?

_diffrn_measured_fraction_theta_max 0.958
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.958
_refine_diff_density_max         2.087
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.160
_database_code_depnum_ccdc_archive 'CCDC 956858'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_470K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9381(12)
_cell_length_b                   16.7198(7)
_cell_length_c                   25.5037(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.074(7)
_cell_angle_gamma                90.00
_cell_volume                     8473.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    470.00(10)
_cell_measurement_reflns_used    9813
_cell_measurement_theta_min      3.2000
_cell_measurement_theta_max      28.6160

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.134
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.50404
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      470.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18302
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7149
_reflns_number_gt                5379
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0957P)²+51.1996P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7149
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0547
_refine_ls_wR_factor_ref         0.1787
_refine_ls_wR_factor_gt          0.1593
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.080
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.15576(4) 0.04367(5) -0.63335(3) 0.0628(3) Uani 1 1 d . . .
Ag2 Ag 0.32144(4) 0.24312(6) -0.13378(3) 0.0718(3) Uani 1 1 d . . .
C8 C 0.5975(4) 0.0282(5) -0.0014(3) 0.0340(17) Uani 1 1 d . . .
C13 C 0.7763(4) -0.1383(5) 0.0073(4) 0.047(2) Uani 1 1 d . . .
H13A H 0.7970 -0.1346 0.0475 0.056 Uiso 1 1 calc R . .
C14 C 0.0596(4) 0.1997(5) -0.5326(4) 0.0370(18) Uani 1 1 d . . .
C15 C 0.2975(4) 0.4172(5) -0.4967(4) 0.0415(19) Uani 1 1 d . . .
H15A H 0.3193 0.4141 -0.4566 0.050 Uiso 1 1 calc R . .
C18 C 0.1230(4) 0.2445(5) -0.5002(3) 0.0370(18) Uani 1 1 d . . .
C22 C 0.0326(4) 0.1902(6) -0.5912(4) 0.051(2) Uani 1 1 d . . .
H22A H 0.0541 0.2114 -0.6126 0.061 Uiso 1 1 calc R . .
C23 C 0.5030(4) 0.1147(5) -0.0060(4) 0.0416(19) Uani 1 1 d . . .
H23A H 0.5224 0.1160 0.0343 0.050 Uiso 1 1 calc R . .
C24 C 0.4434(4) 0.1551(5) -0.0378(4) 0.043(2) Uani 1 1 d . . .
H24A H 0.4238 0.1836 -0.0176 0.052 Uiso 1 1 calc R . .
C25 C 0.2428(4) 0.2632(5) -0.3510(4) 0.0404(19) Uani 1 1 d . . .
C26 C 0.6814(4) -0.0524(5) 0.0046(4) 0.0378(18) Uani 1 1 d . . .
C27 C 0.7197(4) -0.1529(5) -0.1100(4) 0.046(2) Uani 1 1 d . . .
H27A H 0.7002 -0.1576 -0.1501 0.055 Uiso 1 1 calc R . .
C28 C 0.5328(4) 0.0726(5) -0.0353(3) 0.0366(17) Uani 1 1 d . . .
C29 C 0.2350(4) 0.3791(5) -0.5277(4) 0.0399(19) Uani 1 1 d . . .
C30 C 0.6786(5) 0.0442(7) 0.1790(4) 0.060(3) Uani 1 1 d . . .
H30A H 0.6346 0.0621 0.1587 0.072 Uiso 1 1 calc R . .
C31 C 0.2094(4) 0.2743(5) -0.4147(3) 0.0395(18) Uani 1 1 d . . .
C33 C 0.7120(4) 0.0080(5) 0.1499(3) 0.0424(19) Uani 1 1 d . . .
C34 C 0.7142(4) -0.1010(5) -0.0245(4) 0.0367(18) Uani 1 1 d . . .
C36 C 0.0253(4) 0.1663(6) -0.5030(4) 0.051(2) Uani 1 1 d . . .
H36A H 0.0421 0.1712 -0.4630 0.061 Uiso 1 1 calc R . .
C37 C 0.2356(5) 0.4353(5) -0.6130(4) 0.048(2) Uani 1 1 d . . .
H37A H 0.2144 0.4416 -0.6529 0.058 Uiso 1 1 calc R . .
C38 C 0.2039(4) 0.3910(5) -0.5865(4) 0.048(2) Uani 1 1 d . . .
H38A H 0.1616 0.3691 -0.6082 0.058 Uiso 1 1 calc R . .
C41 C 0.2045(4) 0.3283(4) -0.4975(3) 0.0341(17) Uani 1 1 d . . .
C42 C 0.6799(4) -0.0021(5) 0.0857(3) 0.0392(18) Uani 1 1 d . . .
C43 C 0.8062(5) -0.1806(6) -0.0222(4) 0.054(2) Uani 1 1 d . . .
H43A H 0.8472 -0.2055 -0.0008 0.064 Uiso 1 1 calc R . .
C44 C 0.6855(4) -0.1100(5) -0.0836(4) 0.0423(19) Uani 1 1 d . . .
H44A H 0.6436 -0.0877 -0.1059 0.051 Uiso 1 1 calc R . .
C46 C 0.3247(4) 0.4586(5) -0.5273(4) 0.046(2) Uani 1 1 d . . .
H46A H 0.3672 0.4809 -0.5070 0.055 Uiso 1 1 calc R . .
C48 C -0.0327(5) 0.1269(6) -0.5329(4) 0.059(3) Uani 1 1 d . . .
H48A H -0.0546 0.1041 -0.5123 0.070 Uiso 1 1 calc R . .
C49 C -0.0274(5) 0.1485(6) -0.6186(4) 0.051(2) Uani 1 1 d . . .
H49A H -0.0451 0.1414 -0.6585 0.061 Uiso 1 1 calc R . .
C51 C 0.8061(5) -0.0051(7) 0.2403(4) 0.067(3) Uani 1 1 d . . .
H51A H 0.8499 -0.0230 0.2613 0.080 Uiso 1 1 calc R . .
C52 C 0.5011(5) 0.0711(6) -0.0951(4) 0.052(2) Uani 1 1 d . . .
H52A H 0.5183 0.0409 -0.1164 0.062 Uiso 1 1 calc R . .
C53 C 0.7108(5) 0.0535(8) 0.2378(4) 0.071(3) Uani 1 1 d . . .
H53A H 0.6875 0.0772 0.2570 0.085 Uiso 1 1 calc R . .
C54 C 0.2457(6) 0.2062(7) -0.2652(4) 0.070(3) Uani 1 1 d . . .
H54A H 0.2271 0.1710 -0.2477 0.083 Uiso 1 1 calc R . .
C55 C 0.2145(5) 0.2132(7) -0.3236(4) 0.062(3) Uani 1 1 d . . .
H55A H 0.1751 0.1852 -0.3450 0.075 Uiso 1 1 calc R . .
C56 C 0.7775(5) -0.0163(6) 0.1816(4) 0.056(2) Uani 1 1 d . . .
H56A H 0.8019 -0.0398 0.1634 0.067 Uiso 1 1 calc R . .
C58 C 0.4436(5) 0.1154(7) -0.1222(4) 0.060(3) Uani 1 1 d . . .
H58A H 0.4246 0.1176 -0.1624 0.072 Uiso 1 1 calc R . .
C59 C 0.3022(5) 0.3004(7) -0.3174(4) 0.064(3) Uani 1 1 d . . .
H59A H 0.3249 0.3312 -0.3339 0.076 Uiso 1 1 calc R . .
C60 C 0.3275(6) 0.2903(8) -0.2577(5) 0.079(4) Uani 1 1 d . . .
H60A H 0.3668 0.3176 -0.2348 0.095 Uiso 1 1 calc R . .
N1 N -0.0605(3) 0.1185(5) -0.5898(3) 0.0480(18) Uani 1 1 d . . .
N2 N 0.2952(4) 0.4695(4) -0.5840(3) 0.0479(18) Uani 1 1 d . . .
N3 N 0.3001(4) 0.2453(6) -0.2313(3) 0.063(2) Uani 1 1 d . . .
N4 N 0.1520(3) 0.2345(4) -0.4431(3) 0.0429(16) Uani 1 1 d . . .
N5 N 0.1475(3) 0.2904(4) -0.5296(3) 0.0407(16) Uani 1 1 d . . .
N6 N 0.2373(3) 0.3229(4) -0.4395(3) 0.0419(17) Uani 1 1 d . . .
N7 N 0.4128(3) 0.1557(5) -0.0949(3) 0.0467(17) Uani 1 1 d . . .
N8 N 0.7795(4) -0.1875(4) -0.0795(3) 0.0476(18) Uani 1 1 d . . .
N9 N 0.7753(4) 0.0297(6) 0.2693(3) 0.063(2) Uani 1 1 d . . .
N10 N 0.6225(3) 0.0372(4) 0.0563(3) 0.0425(16) Uani 1 1 d . . .
N11 N 0.6248(3) -0.0131(4) -0.0293(3) 0.0397(16) Uani 1 1 d . . .
N12 N 0.7103(3) -0.0492(4) 0.0624(3) 0.0444(17) Uani 1 1 d . . .
Mo1 Mo 0.0000 0.03271(8) -0.7500 0.0643(4) Uani 1 2 d S . .
Mo2 Mo -0.00136(4) -0.09015(5) -0.63890(3) 0.0414(2) Uani 1 1 d . . .
Mo3 Mo -0.00769(4) -0.28984(5) -0.64219(3) 0.0437(2) Uani 1 1 d . . .
Mo4 Mo 0.0000 -0.40689(9) -0.7500 0.0621(4) Uani 1 2 d S . .
Mo5 Mo -0.09235(3) -0.19224(4) -0.78979(3) 0.0409(2) Uani 1 1 d . . .
O1 O 0.0624(9) 0.0946(9) -0.7105(9) 0.212(8) Uani 1 1 d . . .
O2 O -0.0336(5) -0.0151(5) -0.7052(4) 0.085(2) Uani 1 1 d . . .
O3 O 0.0534(4) -0.0314(7) -0.5851(4) 0.105(3) Uani 1 1 d . . .
O4 O -0.0719(4) -0.0810(6) -0.6296(4) 0.087(3) Uani 1 1 d . . .
O5 O 0.0329(4) -0.1892(5) -0.6059(4) 0.079(2) Uani 1 1 d . . .
O6 O -0.0518(5) -0.1869(5) -0.7143(3) 0.084(2) Uani 1 1 d . . .
O7 O -0.0754(4) -0.1036(5) -0.8228(4) 0.087(3) Uani 1 1 d . . .
O8 O -0.1767(3) -0.1952(4) -0.8175(4) 0.078(2) Uani 1 1 d . . .
O9 O -0.0771(5) -0.2876(6) -0.6291(4) 0.096(3) Uani 1 1 d . . .
O10 O 0.0454(5) -0.3474(7) -0.5900(4) 0.119(4) Uani 1 1 d . . .
O11 O -0.0459(4) -0.3578(6) -0.7111(4) 0.092(3) Uani 1 1 d . . .
O12 O -0.0662(4) -0.2792(5) -0.8170(4) 0.080(2) Uani 1 1 d . . .
O13 O 0.0588(6) -0.4654(7) -0.7035(5) 0.132(4) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.281(7) . ?
Ag1 N9 2.307(8) 1_454 ?
Ag1 N2 2.329(7) 3_445 ?
Ag2 N8 2.279(7) 3_455 ?
Ag2 N3 2.329(8) . ?
Ag2 N7 2.335(7) . ?
C8 N11 1.305(10) . ?
C8 N10 1.343(10) . ?
C8 C28 1.507(11) . ?
C13 C43 1.384(12) . ?
C13 C34 1.402(11) . ?
C14 C22 1.363(12) . ?
C14 C36 1.390(11) . ?
C14 C18 1.484(11) . ?
C15 C46 1.357(12) . ?
C15 C29 1.410(11) . ?
C18 N4 1.330(10) . ?
C18 N5 1.335(10) . ?
C22 C49 1.388(13) . ?
C23 C28 1.377(11) . ?
C23 C24 1.388(11) . ?
C24 N7 1.321(11) . ?
C25 C59 1.369(13) . ?
C25 C55 1.392(12) . ?
C25 C31 1.483(11) . ?
C26 N12 1.336(11) . ?
C26 N11 1.345(10) . ?
C26 C34 1.479(11) . ?
C27 N8 1.341(11) . ?
C27 C44 1.399(11) . ?
C28 C52 1.384(12) . ?
C29 C38 1.372(12) . ?
C29 C41 1.484(11) . ?
C30 C53 1.370(13) . ?
C30 C33 1.384(12) . ?
C31 N4 1.335(10) . ?
C31 N6 1.329(10) . ?
C33 C56 1.378(12) . ?
C33 C42 1.493(11) . ?
C34 C44 1.373(11) . ?
C36 C48 1.347(13) . ?
C37 N2 1.328(11) . ?
C37 C38 1.375(12) . ?
C41 N5 1.329(10) . ?
C41 N6 1.345(11) . ?
C42 N12 1.325(10) . ?
C42 N10 1.334(11) . ?
C43 N8 1.329(12) . ?
C46 N2 1.323(11) . ?
C48 N1 1.321(12) . ?
C49 N1 1.330(11) . ?
C51 N9 1.328(13) . ?
C51 C56 1.370(14) . ?
C52 C58 1.369(13) . ?
C53 N9 1.358(13) . ?
C54 N3 1.313(14) . ?
C54 C55 1.357(14) . ?
C58 N7 1.339(12) . ?
C59 C60 1.392(14) . ?
C60 N3 1.314(14) . ?
N2 Ag1 2.329(7) 3 ?
N8 Ag2 2.279(7) 3_545 ?
N9 Ag1 2.307(8) 1_656 ?
Mo1 O1 1.671(13) . ?
Mo1 O1 1.671(13) 2_553 ?
Mo1 O2 1.789(8) . ?
Mo1 O2 1.789(8) 2_553 ?
Mo2 O4 1.668(8) . ?
Mo2 O3 1.701(8) . ?
Mo2 O5 1.865(8) . ?
Mo2 O2 1.980(8) . ?
Mo2 O7 2.288(8) 2_553 ?
Mo2 O6 2.394(8) . ?
Mo3 O10 1.656(9) . ?
Mo3 O9 1.692(8) . ?
Mo3 O5 1.946(8) . ?
Mo3 O11 1.958(9) . ?
Mo3 O12 2.273(7) 2_553 ?
Mo3 O6 2.403(8) . ?
Mo4 O13 1.653(11) . ?
Mo4 O13 1.653(11) 2_553 ?
Mo4 O11 1.876(9) . ?
Mo4 O11 1.876(9) 2_553 ?
Mo5 O8 1.678(7) . ?
Mo5 O6 1.748(8) . ?
Mo5 O12 1.807(8) . ?
Mo5 O7 1.819(9) . ?
O7 Mo2 2.288(8) 2_553 ?
O12 Mo3 2.273(7) 2_553 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ag1 N9 128.8(3) . 1_454 ?
N1 Ag1 N2 124.5(3) . 3_445 ?
N9 Ag1 N2 106.6(3) 1_454 3_445 ?
N8 Ag2 N3 133.7(3) 3_455 . ?
N8 Ag2 N7 123.8(3) 3_455 . ?
N3 Ag2 N7 102.2(3) . . ?
N11 C8 N10 126.0(7) . . ?
N11 C8 C28 119.1(7) . . ?
N10 C8 C28 114.9(7) . . ?
C43 C13 C34 118.7(8) . . ?
C22 C14 C36 117.7(8) . . ?
C22 C14 C18 122.5(7) . . ?
C36 C14 C18 119.8(7) . . ?
C46 C15 C29 117.9(8) . . ?
N4 C18 N5 124.6(7) . . ?
N4 C18 C14 116.5(7) . . ?
N5 C18 C14 119.0(7) . . ?
C14 C22 C49 119.3(8) . . ?
C28 C23 C24 118.5(7) . . ?
N7 C24 C23 124.1(7) . . ?
C59 C25 C55 117.9(8) . . ?
C59 C25 C31 121.7(8) . . ?
C55 C25 C31 120.4(8) . . ?
N12 C26 N11 124.6(7) . . ?
N12 C26 C34 118.1(7) . . ?
N11 C26 C34 117.3(7) . . ?
N8 C27 C44 122.2(8) . . ?
C23 C28 C52 118.4(7) . . ?
C23 C28 C8 119.2(7) . . ?
C52 C28 C8 122.4(7) . . ?
C38 C29 C15 117.6(8) . . ?
C38 C29 C41 121.6(7) . . ?
C15 C29 C41 120.8(7) . . ?
C53 C30 C33 119.6(9) . . ?
N4 C31 N6 124.4(7) . . ?
N4 C31 C25 116.5(7) . . ?
N6 C31 C25 119.1(7) . . ?
C56 C33 C30 118.1(8) . . ?
C56 C33 C42 120.0(8) . . ?
C30 C33 C42 121.8(8) . . ?
C44 C34 C13 117.9(7) . . ?
C44 C34 C26 121.2(7) . . ?
C13 C34 C26 120.9(7) . . ?
C48 C36 C14 119.2(8) . . ?
N2 C37 C38 122.9(8) . . ?
C29 C38 C37 119.5(8) . . ?
N5 C41 N6 124.8(7) . . ?
N5 C41 C29 117.8(7) . . ?
N6 C41 C29 117.4(7) . . ?
N12 C42 N10 125.3(7) . . ?
N12 C42 C33 117.7(7) . . ?
N10 C42 C33 117.1(7) . . ?
N8 C43 C13 123.6(9) . . ?
C34 C44 C27 119.6(8) . . ?
N2 C46 C15 124.6(8) . . ?
N1 C48 C36 124.0(8) . . ?
N1 C49 C22 122.3(8) . . ?
N9 C51 C56 124.3(9) . . ?
C58 C52 C28 118.1(8) . . ?
N9 C53 C30 122.5(9) . . ?
N3 C54 C55 125.0(10) . . ?
C54 C55 C25 118.6(9) . . ?
C33 C56 C51 118.8(9) . . ?
N7 C58 C52 124.8(9) . . ?
C25 C59 C60 117.5(9) . . ?
N3 C60 C59 124.9(10) . . ?
C48 N1 C49 117.5(7) . . ?
C48 N1 Ag1 119.5(6) . . ?
C49 N1 Ag1 122.7(6) . . ?
C46 N2 C37 117.3(7) . . ?
C46 N2 Ag1 122.6(6) . 3 ?
C37 N2 Ag1 120.0(6) . 3 ?
C60 N3 C54 115.8(9) . . ?
C60 N3 Ag2 128.9(7) . . ?
C54 N3 Ag2 114.1(7) . . ?
C18 N4 C31 115.8(7) . . ?
C41 N5 C18 115.2(7) . . ?
C31 N6 C41 115.1(7) . . ?
C24 N7 C58 115.9(7) . . ?
C24 N7 Ag2 114.6(5) . . ?
C58 N7 Ag2 128.8(6) . . ?
C43 N8 C27 117.9(7) . . ?
C43 N8 Ag2 127.5(6) . 3_545 ?
C27 N8 Ag2 114.5(6) . 3_545 ?
C51 N9 C53 116.6(8) . . ?
C51 N9 Ag1 112.8(7) . 1_656 ?
C53 N9 Ag1 130.5(7) . 1_656 ?
C42 N10 C8 114.2(7) . . ?
C8 N11 C26 114.9(7) . . ?
C42 N12 C26 115.0(7) . . ?
O1 Mo1 O1 103.4(14) . 2_553 ?
O1 Mo1 O2 110.2(7) . . ?
O1 Mo1 O2 102.0(6) 2_553 . ?
O1 Mo1 O2 102.0(6) . 2_553 ?
O1 Mo1 O2 110.2(7) 2_553 2_553 ?
O2 Mo1 O2 126.9(5) . 2_553 ?
O4 Mo2 O3 102.3(4) . . ?
O4 Mo2 O5 103.7(4) . . ?
O3 Mo2 O5 97.8(5) . . ?
O4 Mo2 O2 92.6(4) . . ?
O3 Mo2 O2 101.4(5) . . ?
O5 Mo2 O2 151.4(3) . . ?
O4 Mo2 O7 164.6(4) . 2_553 ?
O3 Mo2 O7 90.3(4) . 2_553 ?
O5 Mo2 O7 83.0(3) . 2_553 ?
O2 Mo2 O7 76.0(3) . 2_553 ?
O4 Mo2 O6 92.0(4) . . ?
O3 Mo2 O6 165.0(4) . . ?
O5 Mo2 O6 74.0(3) . . ?
O2 Mo2 O6 82.3(3) . . ?
O7 Mo2 O6 76.4(3) 2_553 . ?
O10 Mo3 O9 103.8(5) . . ?
O10 Mo3 O5 95.5(5) . . ?
O9 Mo3 O5 98.9(4) . . ?
O10 Mo3 O11 105.8(5) . . ?
O9 Mo3 O11 96.4(4) . . ?
O5 Mo3 O11 149.9(3) . . ?
O10 Mo3 O12 91.1(4) . 2_553 ?
O9 Mo3 O12 164.6(4) . 2_553 ?
O5 Mo3 O12 83.1(3) . 2_553 ?
O11 Mo3 O12 75.6(3) . 2_553 ?
O10 Mo3 O6 161.8(5) . . ?
O9 Mo3 O6 91.7(4) . . ?
O5 Mo3 O6 72.5(3) . . ?
O11 Mo3 O6 81.3(3) . . ?
O12 Mo3 O6 74.2(3) 2_553 . ?
O13 Mo4 O13 107.4(8) . 2_553 ?
O13 Mo4 O11 108.0(6) . . ?
O13 Mo4 O11 102.0(5) 2_553 . ?
O13 Mo4 O11 102.0(5) . 2_553 ?
O13 Mo4 O11 108.0(6) 2_553 2_553 ?
O11 Mo4 O11 128.1(5) . 2_553 ?
O8 Mo5 O6 114.9(4) . . ?
O8 Mo5 O12 106.7(4) . . ?
O6 Mo5 O12 111.6(4) . . ?
O8 Mo5 O7 103.5(4) . . ?
O6 Mo5 O7 111.1(4) . . ?
O12 Mo5 O7 108.5(4) . . ?
Mo1 O2 Mo2 137.2(5) . . ?
Mo2 O5 Mo3 122.5(4) . . ?
Mo5 O6 Mo2 140.0(4) . . ?
Mo5 O6 Mo3 131.1(4) . . ?
Mo2 O6 Mo3 88.3(3) . . ?
Mo5 O7 Mo2 127.5(4) . 2_553 ?
Mo4 O11 Mo3 127.4(5) . . ?
Mo5 O12 Mo3 130.0(4) . 2_553 ?

_diffrn_measured_fraction_theta_max 0.957
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.957
_refine_diff_density_max         2.227
_refine_diff_density_min         -0.854
_refine_diff_density_rms         0.159
_database_code_depnum_ccdc_archive 'CCDC 956859'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_B_500K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   21.9302(11)
_cell_length_b                   16.7795(8)
_cell_length_c                   25.4880(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.029(7)
_cell_angle_gamma                90.00
_cell_volume                     8498.3(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    500.00(10)
_cell_measurement_reflns_used    6451
_cell_measurement_theta_min      3.1770
_cell_measurement_theta_max      27.4820

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.44401
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      500.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18392
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0448
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7171
_reflns_number_gt                5268
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0989P)²+60.6199P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7171
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0578
_refine_ls_wR_factor_ref         0.1879
_refine_ls_wR_factor_gt          0.1657
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.34423(4) 0.45588(6) -0.63369(3) 0.0677(3) Uani 1 1 d . . .
Ag2 Ag 0.32111(5) 0.75773(6) -0.13403(4) 0.0774(3) Uani 1 1 d . . .
C6 C 0.5976(4) 0.9718(5) -0.0014(4) 0.0377(18) Uani 1 1 d . . .
C10 C 0.0324(5) 0.8091(6) -0.5918(4) 0.056(3) Uani 1 1 d . . .
H10B H 0.0537 0.7878 -0.6133 0.067 Uiso 1 1 calc R . .
C12 C 0.7762(5) 1.1387(5) 0.0070(4) 0.050(2) Uani 1 1 d . . .
H12B H 0.7969 1.1347 0.0472 0.060 Uiso 1 1 calc R . .
C14 C 0.0597(4) 0.7995(5) -0.5329(4) 0.041(2) Uani 1 1 d . . .
C15 C 0.2973(4) 0.5833(5) -0.4971(4) 0.042(2) Uani 1 1 d . . .
H15A H 0.3194 0.5873 -0.4570 0.050 Uiso 1 1 calc R . .
C18 C 0.1228(4) 0.7556(5) -0.5007(4) 0.042(2) Uani 1 1 d . . .
C19 C 0.5035(4) 0.8857(6) -0.0061(4) 0.048(2) Uani 1 1 d . . .
H19A H 0.5232 0.8841 0.0341 0.058 Uiso 1 1 calc R . .
C24 C 0.5326(4) 0.9279(5) -0.0356(4) 0.0388(18) Uani 1 1 d . . .
C25 C 0.6815(4) 1.0524(5) 0.0044(4) 0.043(2) Uani 1 1 d . . .
C26 C 0.2093(4) 0.7251(5) -0.4149(4) 0.0405(19) Uani 1 1 d . . .
C27 C 0.7137(4) 1.1017(5) -0.0250(4) 0.041(2) Uani 1 1 d . . .
C28 C 0.7196(4) 1.1525(5) -0.1102(4) 0.046(2) Uani 1 1 d . . .
H28A H 0.7003 1.1564 -0.1503 0.055 Uiso 1 1 calc R . .
C29 C 0.4435(5) 0.8450(6) -0.0380(4) 0.050(2) Uani 1 1 d . . .
H29A H 0.4241 0.8161 -0.0178 0.060 Uiso 1 1 calc R . .
C31 C 0.7117(4) 0.9917(6) 0.1500(4) 0.046(2) Uani 1 1 d . . .
C32 C 0.2348(4) 0.6208(5) -0.5280(4) 0.043(2) Uani 1 1 d . . .
C35 C 0.2357(5) 0.5645(6) -0.6133(4) 0.054(2) Uani 1 1 d . . .
H35A H 0.2147 0.5586 -0.6533 0.064 Uiso 1 1 calc R . .
C36 C 0.2426(5) 0.7363(6) -0.3512(4) 0.047(2) Uani 1 1 d . . .
C37 C 0.6787(5) 0.9554(7) 0.1792(5) 0.065(3) Uani 1 1 d . . .
H37A H 0.6349 0.9371 0.1589 0.078 Uiso 1 1 calc R . .
C38 C 0.0249(5) 0.8342(6) -0.5034(4) 0.052(2) Uani 1 1 d . . .
H38A H 0.0419 0.8308 -0.4633 0.063 Uiso 1 1 calc R . .
C39 C 0.8063(5) 1.1812(6) -0.0224(5) 0.057(3) Uani 1 1 d . . .
H39A H 0.8472 1.2063 -0.0011 0.068 Uiso 1 1 calc R . .
C40 C 0.6794(4) 1.0025(5) 0.0848(4) 0.043(2) Uani 1 1 d . . .
C41 C 0.2041(5) 0.6093(6) -0.5867(4) 0.053(2) Uani 1 1 d . . .
H41A H 0.1620 0.6315 -0.6086 0.064 Uiso 1 1 calc R . .
C42 C 0.2047(4) 0.6712(5) -0.4980(4) 0.0387(19) Uani 1 1 d . . .
C43 C 0.6855(4) 1.1105(5) -0.0838(4) 0.046(2) Uani 1 1 d . . .
H43A H 0.6436 1.0884 -0.1061 0.056 Uiso 1 1 calc R . .
C44 C 0.3249(5) 0.5409(6) -0.5275(4) 0.051(2) Uani 1 1 d . . .
H44A H 0.3672 0.5187 -0.5071 0.062 Uiso 1 1 calc R . .
C46 C 0.5011(5) 0.9286(6) -0.0955(4) 0.053(2) Uani 1 1 d . . .
H46A H 0.5189 0.9579 -0.1167 0.063 Uiso 1 1 calc R . .
C48 C -0.0275(5) 0.8510(7) -0.6191(4) 0.055(2) Uani 1 1 d . . .
H48A H -0.0451 0.8583 -0.6590 0.066 Uiso 1 1 calc R . .
C49 C 0.8059(6) 1.0046(8) 0.2403(5) 0.070(3) Uani 1 1 d . . .
H49A H 0.8495 1.0231 0.2614 0.084 Uiso 1 1 calc R . .
C50 C 0.2135(5) 0.7860(7) -0.3244(5) 0.064(3) Uani 1 1 d . . .
H50A H 0.1738 0.8131 -0.3459 0.077 Uiso 1 1 calc R . .
C51 C -0.0332(5) 0.8723(7) -0.5340(5) 0.062(3) Uani 1 1 d . . .
H51A H -0.0557 0.8945 -0.5137 0.074 Uiso 1 1 calc R . .
C52 C 0.7107(5) 0.9463(8) 0.2379(4) 0.075(4) Uani 1 1 d . . .
H52A H 0.6873 0.9229 0.2569 0.089 Uiso 1 1 calc R . .
C53 C 0.2452(7) 0.7937(8) -0.2654(5) 0.074(3) Uani 1 1 d . . .
H53A H 0.2266 0.8284 -0.2478 0.089 Uiso 1 1 calc R . .
C55 C 0.4431(5) 0.8854(7) -0.1230(4) 0.063(3) Uani 1 1 d . . .
H55A H 0.4238 0.8838 -0.1633 0.075 Uiso 1 1 calc R . .
C56 C 0.7774(5) 1.0152(7) 0.1808(5) 0.063(3) Uani 1 1 d . . .
H56A H 0.8020 1.0374 0.1623 0.076 Uiso 1 1 calc R . .
C58 C 0.3020(5) 0.6998(7) -0.3180(4) 0.062(3) Uani 1 1 d . . .
H58A H 0.3245 0.6688 -0.3346 0.074 Uiso 1 1 calc R . .
C59 C 0.3278(6) 0.7108(8) -0.2582(5) 0.078(4) Uani 1 1 d . . .
H59A H 0.3676 0.6845 -0.2353 0.093 Uiso 1 1 calc R . .
N1 N 0.2951(4) 0.5295(5) -0.5842(3) 0.0510(19) Uani 1 1 d . . .
N2 N -0.0606(4) 0.8807(5) -0.5906(3) 0.0515(19) Uani 1 1 d . . .
N3 N 0.3004(5) 0.7551(6) -0.2320(4) 0.069(3) Uani 1 1 d . . .
N4 N 0.2368(4) 0.6773(5) -0.4400(3) 0.0459(18) Uani 1 1 d . . .
N5 N 0.1476(4) 0.7095(4) -0.5303(3) 0.0442(17) Uani 1 1 d . . .
N6 N 0.1523(4) 0.7655(5) -0.4434(3) 0.0468(18) Uani 1 1 d . . .
N7 N 0.7792(4) 1.1876(5) -0.0799(3) 0.0497(19) Uani 1 1 d . . .
N8 N 0.4127(4) 0.8453(5) -0.0952(3) 0.0507(19) Uani 1 1 d . . .
N9 N 0.7751(4) 0.9698(6) 0.2695(4) 0.066(2) Uani 1 1 d . . .
N10 N 0.6249(3) 1.0135(4) -0.0295(3) 0.0431(17) Uani 1 1 d . . .
N11 N 0.7107(4) 1.0490(5) 0.0625(3) 0.0475(18) Uani 1 1 d . . .
N12 N 0.6223(4) 0.9623(4) 0.0561(3) 0.0454(17) Uani 1 1 d . . .
Mo1 Mo 0.5000 0.46806(9) -0.7500 0.0671(4) Uani 1 2 d S . .
Mo2 Mo 0.49857(4) 0.59027(5) -0.63878(3) 0.0446(2) Uani 1 1 d . . .
Mo3 Mo 0.49269(4) 0.78953(5) -0.64193(3) 0.0469(2) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.90685(9) -0.7500 0.0656(4) Uani 1 2 d S . .
Mo5 Mo 0.40751(4) 0.69202(5) -0.78956(3) 0.0440(2) Uani 1 1 d . . .
O1 O 0.5638(9) 0.4059(10) -0.7100(9) 0.220(9) Uani 1 1 d . . .
O2 O 0.4668(5) 0.5153(5) -0.7050(4) 0.093(3) Uani 1 1 d . . .
O3 O 0.5538(5) 0.5341(8) -0.5842(4) 0.128(5) Uani 1 1 d . . .
O4 O 0.4287(4) 0.5794(7) -0.6298(4) 0.099(3) Uani 1 1 d . . .
O5 O 0.5331(5) 0.6885(5) -0.6057(4) 0.084(2) Uani 1 1 d . . .
O6 O 0.4472(5) 0.6865(5) -0.7147(4) 0.094(3) Uani 1 1 d . . .
O7 O 0.4244(5) 0.6038(6) -0.8228(4) 0.098(3) Uani 1 1 d . . .
O8 O 0.3234(4) 0.6952(5) -0.8177(4) 0.087(3) Uani 1 1 d . . .
O9 O 0.4227(5) 0.7884(7) -0.6293(5) 0.109(3) Uani 1 1 d . . .
O10 O 0.5465(5) 0.8457(8) -0.5896(4) 0.129(5) Uani 1 1 d . . .
O11 O 0.4550(5) 0.8574(6) -0.7102(4) 0.103(3) Uani 1 1 d . . .
O12 O 0.4334(5) 0.7783(5) -0.8173(4) 0.087(3) Uani 1 1 d . . .
O13 O 0.5594(7) 0.9652(8) -0.7044(6) 0.148(5) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N2 2.283(7) 3_545 ?
Ag1 N9 2.297(8) 3_444 ?
Ag1 N1 2.329(7) . ?
Ag2 N7 2.283(7) 3_445 ?
Ag2 N8 2.343(7) . ?
Ag2 N3 2.342(8) . ?
C6 N10 1.312(10) . ?
C6 N12 1.340(11) . ?
C6 C24 1.510(11) . ?
C10 C14 1.369(13) . ?
C10 C48 1.389(14) . ?
C12 C39 1.388(12) . ?
C12 C27 1.408(12) . ?
C14 C38 1.403(12) . ?
C14 C18 1.473(12) . ?
C15 C44 1.365(12) . ?
C15 C32 1.409(12) . ?
C18 N6 1.334(11) . ?
C18 N5 1.346(11) . ?
C19 C24 1.372(12) . ?
C19 C29 1.397(13) . ?
C24 C46 1.383(12) . ?
C25 N11 1.341(11) . ?
C25 N10 1.345(11) . ?
C25 C27 1.481(12) . ?
C26 N4 1.319(11) . ?
C26 N6 1.335(11) . ?
C26 C36 1.484(12) . ?
C27 C43 1.365(12) . ?
C28 N7 1.341(12) . ?
C28 C43 1.390(12) . ?
C29 N8 1.322(12) . ?
C31 C56 1.374(13) . ?
C31 C37 1.379(13) . ?
C31 C40 1.517(12) . ?
C32 C41 1.372(13) . ?
C32 C42 1.470(12) . ?
C35 N1 1.332(12) . ?
C35 C41 1.378(13) . ?
C36 C58 1.362(13) . ?
C36 C50 1.391(13) . ?
C37 C52 1.366(14) . ?
C38 C51 1.342(13) . ?
C39 N7 1.330(13) . ?
C40 N11 1.316(11) . ?
C40 N12 1.335(11) . ?
C42 N5 1.336(11) . ?
C42 N4 1.346(11) . ?
C44 N1 1.324(12) . ?
C46 C55 1.370(13) . ?
C48 N2 1.322(11) . ?
C49 N9 1.332(14) . ?
C49 C56 1.387(15) . ?
C50 C53 1.370(15) . ?
C51 N2 1.315(12) . ?
C52 N9 1.355(14) . ?
C53 N3 1.316(15) . ?
C55 N8 1.344(12) . ?
C58 C59 1.396(15) . ?
C59 N3 1.305(14) . ?
N2 Ag1 2.283(7) 3_455 ?
N7 Ag2 2.283(7) 3 ?
N9 Ag1 2.297(8) 3_556 ?
Mo1 O1 1.697(14) 2_653 ?
Mo1 O1 1.697(14) . ?
Mo1 O2 1.784(9) 2_653 ?
Mo1 O2 1.784(9) . ?
Mo2 O4 1.653(8) . ?
Mo2 O3 1.693(9) . ?
Mo2 O5 1.861(9) . ?
Mo2 O2 1.980(9) . ?
Mo2 O7 2.295(9) 2_653 ?
Mo2 O6 2.403(9) . ?
Mo3 O10 1.651(9) . ?
Mo3 O9 1.696(9) . ?
Mo3 O11 1.947(10) . ?
Mo3 O5 1.954(9) . ?
Mo3 O12 2.273(8) 2_653 ?
Mo3 O6 2.420(9) . ?
Mo4 O13 1.651(12) . ?
Mo4 O13 1.651(12) 2_653 ?
Mo4 O11 1.881(9) . ?
Mo4 O11 1.881(9) 2_653 ?
Mo5 O8 1.674(7) . ?
Mo5 O6 1.733(9) . ?
Mo5 O12 1.805(9) . ?
Mo5 O7 1.820(10) . ?
O7 Mo2 2.295(9) 2_653 ?
O12 Mo3 2.273(8) 2_653 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ag1 N9 128.8(3) 3_545 3_444 ?
N2 Ag1 N1 124.8(3) 3_545 . ?
N9 Ag1 N1 106.3(3) 3_444 . ?
N7 Ag2 N8 124.1(3) 3_445 . ?
N7 Ag2 N3 133.6(3) 3_445 . ?
N8 Ag2 N3 102.0(3) . . ?
N10 C6 N12 126.3(7) . . ?
N10 C6 C24 118.8(7) . . ?
N12 C6 C24 114.9(7) . . ?
C14 C10 C48 119.5(8) . . ?
C39 C12 C27 118.8(9) . . ?
C10 C14 C38 116.9(8) . . ?
C10 C14 C18 122.9(8) . . ?
C38 C14 C18 120.3(8) . . ?
C44 C15 C32 118.4(8) . . ?
N6 C18 N5 124.2(8) . . ?
N6 C18 C14 117.0(7) . . ?
N5 C18 C14 118.8(8) . . ?
C24 C19 C29 118.4(8) . . ?
C19 C24 C46 118.5(8) . . ?
C19 C24 C6 118.7(7) . . ?
C46 C24 C6 122.8(7) . . ?
N11 C25 N10 124.6(8) . . ?
N11 C25 C27 118.4(8) . . ?
N10 C25 C27 117.0(8) . . ?
N4 C26 N6 124.1(8) . . ?
N4 C26 C36 119.6(7) . . ?
N6 C26 C36 116.4(7) . . ?
C43 C27 C12 117.8(8) . . ?
C43 C27 C25 121.6(8) . . ?
C12 C27 C25 120.5(8) . . ?
N7 C28 C43 122.4(8) . . ?
N8 C29 C19 123.7(8) . . ?
C56 C31 C37 118.7(9) . . ?
C56 C31 C40 118.8(8) . . ?
C37 C31 C40 122.3(8) . . ?
C41 C32 C15 117.3(8) . . ?
C41 C32 C42 121.9(8) . . ?
C15 C32 C42 120.8(8) . . ?
N1 C35 C41 123.0(9) . . ?
C58 C36 C50 118.8(9) . . ?
C58 C36 C26 121.3(8) . . ?
C50 C36 C26 119.8(8) . . ?
C52 C37 C31 119.8(10) . . ?
C51 C38 C14 119.0(9) . . ?
N7 C39 C12 122.9(9) . . ?
N11 C40 N12 127.0(8) . . ?
N11 C40 C31 117.2(8) . . ?
N12 C40 C31 115.8(7) . . ?
C32 C41 C35 119.8(9) . . ?
N5 C42 N4 124.0(7) . . ?
N5 C42 C32 117.7(8) . . ?
N4 C42 C32 118.2(7) . . ?
C27 C43 C28 120.0(8) . . ?
N1 C44 C15 124.2(9) . . ?
C55 C46 C24 118.9(9) . . ?
N2 C48 C10 122.5(9) . . ?
N9 C49 C56 124.6(10) . . ?
C53 C50 C36 118.0(10) . . ?
N2 C51 C38 124.6(8) . . ?
N9 C52 C37 122.8(10) . . ?
N3 C53 C50 124.3(10) . . ?
N8 C55 C46 123.6(9) . . ?
C31 C56 C49 117.8(10) . . ?
C36 C58 C59 117.2(9) . . ?
N3 C59 C58 124.9(10) . . ?
C44 N1 C35 117.2(8) . . ?
C44 N1 Ag1 122.7(6) . . ?
C35 N1 Ag1 120.0(6) . . ?
C51 N2 C48 117.4(8) . . ?
C51 N2 Ag1 119.2(6) . 3_455 ?
C48 N2 Ag1 123.1(6) . 3_455 ?
C59 N3 C53 116.5(9) . . ?
C59 N3 Ag2 129.2(8) . . ?
C53 N3 Ag2 113.0(7) . . ?
C26 N4 C42 116.3(7) . . ?
C42 N5 C18 115.2(7) . . ?
C26 N6 C18 116.2(7) . . ?
C39 N7 C28 118.1(8) . . ?
C39 N7 Ag2 126.9(6) . 3 ?
C28 N7 Ag2 115.0(6) . 3 ?
C29 N8 C55 116.7(8) . . ?
C29 N8 Ag2 114.2(6) . . ?
C55 N8 Ag2 128.3(6) . . ?
C49 N9 C52 116.2(9) . . ?
C49 N9 Ag1 112.6(7) . 3_556 ?
C52 N9 Ag1 131.1(7) . 3_556 ?
C6 N10 C25 114.8(7) . . ?
C40 N11 C25 114.2(7) . . ?
C40 N12 C6 113.1(7) . . ?
O1 Mo1 O1 104.1(15) 2_653 . ?
O1 Mo1 O2 110.1(8) 2_653 2_653 ?
O1 Mo1 O2 101.7(7) . 2_653 ?
O1 Mo1 O2 101.7(7) 2_653 . ?
O1 Mo1 O2 110.1(8) . . ?
O2 Mo1 O2 127.3(6) 2_653 . ?
O4 Mo2 O3 102.0(5) . . ?
O4 Mo2 O5 105.0(5) . . ?
O3 Mo2 O5 96.2(5) . . ?
O4 Mo2 O2 92.0(4) . . ?
O3 Mo2 O2 102.6(6) . . ?
O5 Mo2 O2 151.4(4) . . ?
O4 Mo2 O7 164.5(4) . 2_653 ?
O3 Mo2 O7 90.3(4) . 2_653 ?
O5 Mo2 O7 82.8(4) . 2_653 ?
O2 Mo2 O7 75.9(4) . 2_653 ?
O4 Mo2 O6 92.3(5) . . ?
O3 Mo2 O6 164.7(5) . . ?
O5 Mo2 O6 74.4(4) . . ?
O2 Mo2 O6 82.3(3) . . ?
O7 Mo2 O6 76.6(3) 2_653 . ?
O10 Mo3 O9 104.4(5) . . ?
O10 Mo3 O11 106.0(6) . . ?
O9 Mo3 O11 95.8(5) . . ?
O10 Mo3 O5 95.0(6) . . ?
O9 Mo3 O5 99.6(5) . . ?
O11 Mo3 O5 150.0(4) . . ?
O10 Mo3 O12 90.7(4) . 2_653 ?
O9 Mo3 O12 164.4(5) . 2_653 ?
O11 Mo3 O12 75.9(4) . 2_653 ?
O5 Mo3 O12 82.8(3) . 2_653 ?
O10 Mo3 O6 161.5(5) . . ?
O9 Mo3 O6 91.4(5) . . ?
O11 Mo3 O6 81.5(4) . . ?
O5 Mo3 O6 72.6(3) . . ?
O12 Mo3 O6 74.5(3) 2_653 . ?
O13 Mo4 O13 107.3(9) . 2_653 ?
O13 Mo4 O11 108.6(6) . . ?
O13 Mo4 O11 101.8(6) 2_653 . ?
O13 Mo4 O11 101.8(6) . 2_653 ?
O13 Mo4 O11 108.6(6) 2_653 2_653 ?
O11 Mo4 O11 127.6(6) . 2_653 ?
O8 Mo5 O6 115.0(5) . . ?
O8 Mo5 O12 106.2(4) . . ?
O6 Mo5 O12 112.3(4) . . ?
O8 Mo5 O7 103.4(5) . . ?
O6 Mo5 O7 111.3(5) . . ?
O12 Mo5 O7 108.1(4) . . ?
Mo1 O2 Mo2 137.5(6) . . ?
Mo2 O5 Mo3 122.5(5) . . ?
Mo5 O6 Mo2 140.2(5) . . ?
Mo5 O6 Mo3 131.2(4) . . ?
Mo2 O6 Mo3 87.9(3) . . ?
Mo5 O7 Mo2 127.6(4) . 2_653 ?
Mo4 O11 Mo3 128.2(5) . . ?
Mo5 O12 Mo3 130.5(5) . 2_653 ?

_diffrn_measured_fraction_theta_max 0.957
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.957
_refine_diff_density_max         2.243
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.159
_database_code_depnum_ccdc_archive 'CCDC 956860'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_440K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0020(8)
_cell_length_b                   16.7356(6)
_cell_length_c                   25.5607(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.199(5)
_cell_angle_gamma                90.00
_cell_volume                     8516.2(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    440.00(10)
_cell_measurement_reflns_used    13001
_cell_measurement_theta_min      3.1980
_cell_measurement_theta_max      28.7640

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.54231
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      440.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19710
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7308
_reflns_number_gt                5865
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0916P)²+54.8402P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7308
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0627
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1619
_refine_ls_wR_factor_gt          0.1486
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.0000 -0.03343(7) 0.2500 0.0624(3) Uani 1 2 d S . .
Mo2 Mo 0.00132(3) 0.09014(4) 0.13900(3) 0.03950(19) Uani 1 1 d . . .
Mo3 Mo 0.00803(3) 0.29018(4) 0.14242(3) 0.04164(19) Uani 1 1 d . . .
Mo4 Mo 0.0000 0.40691(8) 0.2500 0.0599(3) Uani 1 2 d S . .
Mo5 Mo 0.09227(3) 0.19249(4) 0.29003(3) 0.03916(19) Uani 1 1 d . . .
O1 O -0.0631(7) -0.0959(8) 0.2085(8) 0.194(7) Uani 1 1 d . . .
O2 O 0.0340(4) 0.0157(4) 0.2054(3) 0.0739(18) Uani 1 1 d . . .
O3 O -0.0531(4) 0.0298(5) 0.0853(3) 0.096(3) Uani 1 1 d . . .
O4 O 0.0725(4) 0.0819(5) 0.1302(3) 0.084(2) Uani 1 1 d . . .
O5 O 0.0519(4) 0.1863(4) 0.2144(3) 0.077(2) Uani 1 1 d . . .
O6 O 0.0763(4) 0.1042(5) 0.3232(3) 0.082(2) Uani 1 1 d . . .
O7 O 0.1762(3) 0.1959(4) 0.3173(3) 0.076(2) Uani 1 1 d . . .
O8 O 0.0663(4) 0.2802(4) 0.3169(3) 0.0752(19) Uani 1 1 d . . .
O9 O -0.0330(3) 0.1892(4) 0.1062(3) 0.0672(17) Uani 1 1 d . . .
O10 O 0.0775(4) 0.2874(5) 0.1289(4) 0.090(2) Uani 1 1 d . . .
O11 O -0.0443(4) 0.3495(6) 0.0912(3) 0.102(3) Uani 1 1 d . . .
O12 O 0.0463(4) 0.3579(4) 0.2108(3) 0.082(2) Uani 1 1 d . . .
O13 O -0.0589(5) 0.4658(6) 0.2024(4) 0.117(3) Uani 1 1 d . . .
Ag1 Ag -0.15577(3) -0.04333(5) -0.63317(3) 0.0598(2) Uani 1 1 d . . .
Ag2 Ag -0.17829(4) 0.25616(5) -0.13356(3) 0.0677(3) Uani 1 1 d . . .
C9 C 0.0976(3) 0.4716(4) -0.0009(3) 0.0343(15) Uani 1 1 d . . .
C12 C -0.4674(4) 0.3103(5) -0.5910(3) 0.0476(19) Uani 1 1 d . . .
H12A H -0.4460 0.2896 -0.6124 0.057 Uiso 1 1 calc R . .
C14 C -0.3766(3) 0.2557(4) -0.4997(3) 0.0332(14) Uani 1 1 d . . .
C16 C 0.0037(3) 0.3850(5) -0.0054(3) 0.0427(17) Uani 1 1 d . . .
H16A H 0.0235 0.3834 0.0348 0.051 Uiso 1 1 calc R . .
C18 C -0.4403(3) 0.3002(4) -0.5320(3) 0.0359(15) Uani 1 1 d . . .
C19 C 0.1817(3) 0.5526(4) 0.0053(3) 0.0366(15) Uani 1 1 d . . .
C20 C 0.0331(3) 0.4274(4) -0.0350(3) 0.0344(14) Uani 1 1 d . . .
C23 C -0.2025(3) 0.0837(4) -0.4963(3) 0.0409(16) Uani 1 1 d . . .
H23A H -0.1803 0.0877 -0.4563 0.049 Uiso 1 1 calc R . .
C24 C -0.2906(3) 0.2251(4) -0.4142(3) 0.0371(15) Uani 1 1 d . . .
C25 C -0.0558(4) 0.3448(5) -0.0371(3) 0.0449(17) Uani 1 1 d . . .
H25A H -0.0754 0.3169 -0.0168 0.054 Uiso 1 1 calc R . .
C27 C 0.2770(4) 0.6385(4) 0.0083(3) 0.0457(18) Uani 1 1 d . . .
H27A H 0.2978 0.6348 0.0485 0.055 Uiso 1 1 calc R . .
C29 C 0.2202(4) 0.6527(4) -0.1092(3) 0.0430(17) Uani 1 1 d . . .
H29A H 0.2004 0.6574 -0.1492 0.052 Uiso 1 1 calc R . .
C32 C -0.2573(4) 0.2367(5) -0.3505(3) 0.0417(16) Uani 1 1 d . . .
C33 C -0.2648(4) 0.1212(4) -0.5270(3) 0.0398(16) Uani 1 1 d . . .
C34 C 0.1788(4) 0.4558(6) 0.1790(4) 0.058(2) Uani 1 1 d . . .
H34A H 0.1348 0.4380 0.1587 0.069 Uiso 1 1 calc R . .
C35 C 0.2141(3) 0.6015(4) -0.0242(3) 0.0368(15) Uani 1 1 d . . .
C36 C -0.2646(4) 0.0643(5) -0.6126(3) 0.0462(18) Uani 1 1 d . . .
H36A H -0.2862 0.0573 -0.6524 0.055 Uiso 1 1 calc R . .
C38 C 0.2121(4) 0.4914(5) 0.1506(3) 0.0422(17) Uani 1 1 d . . .
C39 C -0.4742(4) 0.3343(5) -0.5024(3) 0.049(2) Uani 1 1 d . . .
H39A H -0.4568 0.3304 -0.4624 0.059 Uiso 1 1 calc R . .
C40 C -0.5328(4) 0.3735(6) -0.5325(4) 0.055(2) Uani 1 1 d . . .
H40A H -0.5547 0.3959 -0.5120 0.066 Uiso 1 1 calc R . .
C41 C 0.1799(3) 0.5021(4) 0.0862(3) 0.0385(16) Uani 1 1 d . . .
C43 C 0.1863(3) 0.6097(4) -0.0829(3) 0.0414(16) Uani 1 1 d . . .
H43A H 0.1448 0.5867 -0.1054 0.050 Uiso 1 1 calc R . .
C44 C 0.3068(4) 0.6807(5) -0.0218(4) 0.0496(19) Uani 1 1 d . . .
H44A H 0.3478 0.7055 -0.0007 0.059 Uiso 1 1 calc R . .
C45 C -0.2962(4) 0.1094(5) -0.5863(3) 0.0467(18) Uani 1 1 d . . .
H45A H -0.3381 0.1317 -0.6081 0.056 Uiso 1 1 calc R . .
C46 C -0.2949(3) 0.1718(4) -0.4966(3) 0.0364(15) Uani 1 1 d . . .
C47 C -0.5271(4) 0.3519(5) -0.6178(3) 0.0500(19) Uani 1 1 d . . .
H47A H -0.5444 0.3594 -0.6576 0.060 Uiso 1 1 calc R . .
C48 C -0.1750(4) 0.0406(5) -0.5271(3) 0.0448(17) Uani 1 1 d . . .
H48A H -0.1330 0.0175 -0.5066 0.054 Uiso 1 1 calc R . .
C50 C 0.0015(4) 0.4277(5) -0.0946(3) 0.0484(18) Uani 1 1 d . . .
H50A H 0.0192 0.4571 -0.1158 0.058 Uiso 1 1 calc R . .
C51 C 0.3056(4) 0.5048(6) 0.2405(4) 0.064(2) Uani 1 1 d . . .
H51A H 0.3495 0.5223 0.2615 0.077 Uiso 1 1 calc R . .
C53 C 0.2114(4) 0.4468(7) 0.2385(4) 0.066(3) Uani 1 1 d . . .
H53A H 0.1882 0.4232 0.2576 0.079 Uiso 1 1 calc R . .
C54 C -0.0562(4) 0.3843(5) -0.1222(3) 0.054(2) Uani 1 1 d . . .
H54A H -0.0755 0.3826 -0.1624 0.065 Uiso 1 1 calc R . .
C56 C -0.2552(5) 0.2948(6) -0.2650(4) 0.064(2) Uani 1 1 d . . .
H56A H -0.2738 0.3300 -0.2476 0.077 Uiso 1 1 calc R . .
C57 C 0.2777(4) 0.5165(5) 0.1818(4) 0.055(2) Uani 1 1 d . . .
H57A H 0.3019 0.5403 0.1638 0.066 Uiso 1 1 calc R . .
C58 C -0.2858(4) 0.2869(6) -0.3238(4) 0.058(2) Uani 1 1 d . . .
H58A H -0.3251 0.3146 -0.3456 0.069 Uiso 1 1 calc R . .
C59 C -0.1975(4) 0.1994(6) -0.3164(4) 0.058(2) Uani 1 1 d . . .
H59A H -0.1750 0.1683 -0.3327 0.070 Uiso 1 1 calc R . .
C60 C -0.1725(5) 0.2098(7) -0.2579(4) 0.072(3) Uani 1 1 d . . .
H60A H -0.1330 0.1830 -0.2352 0.086 Uiso 1 1 calc R . .
N1 N -0.2045(3) 0.0300(4) -0.5837(3) 0.0441(15) Uani 1 1 d . . .
N2 N -0.5610(3) 0.3817(4) -0.5900(3) 0.0476(16) Uani 1 1 d . . .
N3 N -0.1994(4) 0.2542(5) -0.2310(3) 0.0605(19) Uani 1 1 d . . .
N4 N -0.3522(3) 0.2101(4) -0.5292(3) 0.0392(13) Uani 1 1 d . . .
N5 N -0.3475(3) 0.2660(4) -0.4426(3) 0.0432(14) Uani 1 1 d . . .
N6 N -0.2625(3) 0.1774(4) -0.4391(3) 0.0403(14) Uani 1 1 d . . .
N7 N 0.2793(3) 0.6872(4) -0.0794(3) 0.0465(15) Uani 1 1 d . . .
N8 N -0.0866(3) 0.3437(4) -0.0944(3) 0.0469(15) Uani 1 1 d . . .
N9 N 0.2749(4) 0.4704(5) 0.2698(3) 0.0593(19) Uani 1 1 d . . .
N10 N 0.1255(3) 0.5129(3) -0.0282(2) 0.0372(13) Uani 1 1 d . . .
N11 N 0.1230(3) 0.4630(4) 0.0569(3) 0.0429(14) Uani 1 1 d . . .
N12 N 0.2109(3) 0.5490(4) 0.0631(3) 0.0433(14) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O1 1.701(11) 2 ?
Mo1 O1 1.701(11) . ?
Mo1 O2 1.806(7) . ?
Mo1 O2 1.806(7) 2 ?
Mo2 O3 1.713(7) . ?
Mo2 O4 1.679(7) . ?
Mo2 O9 1.866(7) . ?
Mo2 O2 1.977(7) . ?
Mo2 O6 2.305(7) 2 ?
Mo2 O5 2.391(7) . ?
Mo3 O11 1.655(7) . ?
Mo3 O10 1.704(7) . ?
Mo3 O12 1.948(7) . ?
Mo3 O9 1.954(7) . ?
Mo3 O8 2.287(7) 2 ?
Mo3 O5 2.413(7) . ?
Mo4 O13 1.670(9) 2 ?
Mo4 O13 1.670(9) . ?
Mo4 O12 1.894(8) . ?
Mo4 O12 1.894(7) 2 ?
Mo5 O7 1.675(6) . ?
Mo5 O5 1.754(7) . ?
Mo5 O6 1.810(7) . ?
Mo5 O8 1.813(7) . ?
O6 Mo2 2.305(7) 2 ?
O8 Mo3 2.287(7) 2 ?
Ag1 N2 2.276(6) 3_545 ?
Ag1 N9 2.304(7) 3_444 ?
Ag1 N1 2.325(6) . ?
Ag2 N7 2.283(6) 3_445 ?
Ag2 N8 2.345(6) . ?
Ag2 N3 2.330(7) . ?
C9 N11 1.347(9) . ?
C9 N10 1.306(9) . ?
C9 C20 1.508(9) . ?
C12 C47 1.382(11) . ?
C12 C18 1.375(10) . ?
C14 N4 1.337(9) . ?
C14 N5 1.332(9) . ?
C14 C18 1.487(9) . ?
C16 C25 1.385(10) . ?
C16 C20 1.382(10) . ?
C18 C39 1.391(10) . ?
C19 N12 1.338(9) . ?
C19 N10 1.343(9) . ?
C19 C35 1.483(10) . ?
C20 C50 1.379(10) . ?
C23 C48 1.380(10) . ?
C23 C33 1.405(10) . ?
C24 N6 1.325(9) . ?
C24 N5 1.338(9) . ?
C24 C32 1.486(10) . ?
C25 N8 1.328(10) . ?
C27 C44 1.397(10) . ?
C27 C35 1.418(10) . ?
C29 N7 1.328(10) . ?
C29 C43 1.397(10) . ?
C32 C59 1.379(11) . ?
C32 C58 1.388(11) . ?
C33 C46 1.483(10) . ?
C33 C45 1.385(11) . ?
C34 C53 1.385(11) . ?
C34 C38 1.370(11) . ?
C35 C43 1.365(10) . ?
C36 C45 1.377(10) . ?
C36 N1 1.340(10) . ?
C38 C57 1.384(11) . ?
C38 C41 1.499(10) . ?
C39 C40 1.356(11) . ?
C40 N2 1.335(10) . ?
C41 N11 1.325(9) . ?
C41 N12 1.333(9) . ?
C44 N7 1.336(10) . ?
C46 N6 1.337(9) . ?
C46 N4 1.342(9) . ?
C47 N2 1.329(10) . ?
C48 N1 1.322(10) . ?
C50 C54 1.370(11) . ?
C51 C57 1.370(12) . ?
C51 N9 1.335(12) . ?
C53 N9 1.341(11) . ?
C54 N8 1.348(10) . ?
C56 C58 1.367(12) . ?
C56 N3 1.349(12) . ?
C59 C60 1.368(12) . ?
C60 N3 1.313(12) . ?
N2 Ag1 2.276(6) 3_455 ?
N7 Ag2 2.283(6) 3 ?
N9 Ag1 2.304(7) 3_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mo1 O1 104.1(12) 2 . ?
O1 Mo1 O2 103.1(5) 2 . ?
O1 Mo1 O2 109.5(6) . . ?
O1 Mo1 O2 109.5(6) 2 2 ?
O1 Mo1 O2 103.1(5) . 2 ?
O2 Mo1 O2 125.8(4) . 2 ?
O3 Mo2 O4 102.6(4) . . ?
O3 Mo2 O9 98.8(4) . . ?
O4 Mo2 O9 103.6(3) . . ?
O3 Mo2 O2 101.0(4) . . ?
O4 Mo2 O2 92.5(3) . . ?
O9 Mo2 O2 151.1(3) . . ?
O3 Mo2 O6 90.3(3) . 2 ?
O4 Mo2 O6 164.6(3) . 2 ?
O9 Mo2 O6 82.4(3) . 2 ?
O2 Mo2 O6 76.6(3) . 2 ?
O3 Mo2 O5 165.6(3) . . ?
O4 Mo2 O5 91.3(3) . . ?
O9 Mo2 O5 74.0(3) . . ?
O2 Mo2 O5 81.9(3) . . ?
O6 Mo2 O5 76.5(3) 2 . ?
O11 Mo3 O10 103.7(4) . . ?
O11 Mo3 O12 104.5(4) . . ?
O10 Mo3 O12 96.6(4) . . ?
O11 Mo3 O9 96.8(4) . . ?
O10 Mo3 O9 98.8(4) . . ?
O12 Mo3 O9 149.8(3) . . ?
O11 Mo3 O8 90.7(3) . 2 ?
O10 Mo3 O8 165.0(3) . 2 ?
O12 Mo3 O8 75.8(3) . 2 ?
O9 Mo3 O8 82.9(3) . 2 ?
O11 Mo3 O5 162.2(4) . . ?
O10 Mo3 O5 91.9(4) . . ?
O12 Mo3 O5 81.7(3) . . ?
O9 Mo3 O5 72.1(2) . . ?
O8 Mo3 O5 74.5(3) 2 . ?
O13 Mo4 O13 107.6(7) 2 . ?
O13 Mo4 O12 102.5(4) 2 . ?
O13 Mo4 O12 107.1(4) . . ?
O13 Mo4 O12 107.1(4) 2 2 ?
O13 Mo4 O12 102.5(4) . 2 ?
O12 Mo4 O12 128.7(4) . 2 ?
O7 Mo5 O5 114.4(4) . . ?
O7 Mo5 O6 103.4(4) . . ?
O5 Mo5 O6 111.1(3) . . ?
O7 Mo5 O8 106.5(3) . . ?
O5 Mo5 O8 111.8(3) . . ?
O6 Mo5 O8 109.1(3) . . ?
Mo1 O2 Mo2 137.1(4) . . ?
Mo5 O5 Mo2 140.5(4) . . ?
Mo5 O5 Mo3 130.4(3) . . ?
Mo2 O5 Mo3 88.4(2) . . ?
Mo5 O6 Mo2 127.3(3) . 2 ?
Mo5 O8 Mo3 129.3(4) . 2 ?
Mo2 O9 Mo3 122.6(3) . . ?
Mo4 O12 Mo3 127.0(4) . . ?
N2 Ag1 N9 128.8(3) 3_545 3_444 ?
N2 Ag1 N1 124.5(2) 3_545 . ?
N9 Ag1 N1 106.6(3) 3_444 . ?
N7 Ag2 N8 123.8(2) 3_445 . ?
N7 Ag2 N3 133.9(3) 3_445 . ?
N8 Ag2 N3 102.0(2) . . ?
N11 C9 N10 125.0(6) . . ?
N11 C9 C20 115.5(6) . . ?
N10 C9 C20 119.4(6) . . ?
C47 C12 C18 119.0(7) . . ?
N4 C14 N5 124.8(6) . . ?
N4 C14 C18 118.8(6) . . ?
N5 C14 C18 116.4(6) . . ?
C25 C16 C20 118.3(7) . . ?
C39 C18 C12 117.5(7) . . ?
C39 C18 C14 120.0(6) . . ?
C12 C18 C14 122.5(6) . . ?
N12 C19 N10 124.1(6) . . ?
N12 C19 C35 118.5(6) . . ?
N10 C19 C35 117.5(6) . . ?
C50 C20 C16 118.4(6) . . ?
C50 C20 C9 123.0(6) . . ?
C16 C20 C9 118.6(6) . . ?
C48 C23 C33 118.3(7) . . ?
N6 C24 N5 124.6(6) . . ?
N6 C24 C32 119.5(6) . . ?
N5 C24 C32 115.9(6) . . ?
N8 C25 C16 124.3(7) . . ?
C44 C27 C35 117.8(7) . . ?
N7 C29 C43 122.9(7) . . ?
C59 C32 C58 118.1(7) . . ?
C59 C32 C24 121.7(7) . . ?
C58 C32 C24 120.2(7) . . ?
C23 C33 C46 120.6(7) . . ?
C23 C33 C45 117.5(7) . . ?
C46 C33 C45 121.9(6) . . ?
C53 C34 C38 119.0(8) . . ?
C27 C35 C43 118.0(7) . . ?
C27 C35 C19 120.2(6) . . ?
C43 C35 C19 121.7(6) . . ?
C45 C36 N1 123.4(7) . . ?
C57 C38 C41 119.2(7) . . ?
C57 C38 C34 119.2(7) . . ?
C41 C38 C34 121.6(7) . . ?
C18 C39 C40 119.3(7) . . ?
C39 C40 N2 123.9(7) . . ?
N11 C41 N12 125.3(7) . . ?
N11 C41 C38 116.9(6) . . ?
N12 C41 C38 117.7(6) . . ?
C29 C43 C35 119.9(7) . . ?
C27 C44 N7 123.5(7) . . ?
C36 C45 C33 119.4(7) . . ?
N6 C46 N4 124.7(6) . . ?
N6 C46 C33 118.0(6) . . ?
N4 C46 C33 117.3(6) . . ?
C12 C47 N2 123.6(7) . . ?
N1 C48 C23 124.4(7) . . ?
C20 C50 C54 119.1(7) . . ?
C57 C51 N9 125.3(8) . . ?
N9 C53 C34 123.0(8) . . ?
N8 C54 C50 123.7(7) . . ?
C58 C56 N3 123.1(8) . . ?
C51 C57 C38 117.4(8) . . ?
C56 C58 C32 119.1(8) . . ?
C32 C59 C60 117.7(8) . . ?
N3 C60 C59 125.8(9) . . ?
C48 N1 C36 117.0(6) . . ?
C48 N1 Ag1 122.8(5) . . ?
C36 N1 Ag1 120.2(5) . . ?
C47 N2 C40 116.5(6) . . ?
C47 N2 Ag1 123.7(5) . 3_455 ?
C40 N2 Ag1 119.4(5) . 3_455 ?
C60 N3 C56 115.9(7) . . ?
C60 N3 Ag2 129.7(6) . . ?
C56 N3 Ag2 113.2(6) . . ?
C14 N4 C46 114.8(6) . . ?
C14 N5 C24 115.5(6) . . ?
C24 N6 C46 115.5(6) . . ?
C29 N7 C44 117.9(7) . . ?
C29 N7 Ag2 115.2(5) . 3 ?
C44 N7 Ag2 126.8(5) . 3 ?
C25 N8 C54 116.1(6) . . ?
C25 N8 Ag2 115.0(5) . . ?
C54 N8 Ag2 128.3(5) . . ?
C53 N9 C51 116.1(7) . . ?
C53 N9 Ag1 131.1(6) . 3_556 ?
C51 N9 Ag1 112.7(5) . 3_556 ?
C9 N10 C19 115.8(6) . . ?
C9 N11 C41 114.7(6) . . ?
C19 N12 C41 114.9(6) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         2.220
_refine_diff_density_min         -0.855
_refine_diff_density_rms         0.150
_database_code_depnum_ccdc_archive 'CCDC 976108'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_370K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0267(7)
_cell_length_b                   16.6061(5)
_cell_length_c                   25.5742(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.250(4)
_cell_angle_gamma                90.00
_cell_volume                     8460.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    370.00(10)
_cell_measurement_reflns_used    14276
_cell_measurement_theta_min      3.2040
_cell_measurement_theta_max      28.7960

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.138
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.64946
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      370.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19607
_diffrn_reflns_av_R_equivalents  0.0278
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7258
_reflns_number_gt                6085
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0765P)²+61.4138P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7258
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0447
_refine_ls_wR_factor_ref         0.1384
_refine_ls_wR_factor_gt          0.1285
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.5000 -0.03524(6) 0.2500 0.0545(3) Uani 1 2 d S . .
Mo2 Mo 0.50128(3) 0.08977(3) 0.13917(2) 0.03282(16) Uani 1 1 d . . .
Mo3 Mo 0.50873(3) 0.29074(4) 0.14285(2) 0.03472(16) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.40706(7) 0.2500 0.0519(3) Uani 1 2 d S . .
Mo5 Mo 0.59199(3) 0.19286(3) 0.29039(2) 0.03285(16) Uani 1 1 d . . .
O1 O 0.4377(6) -0.0984(6) 0.2073(6) 0.160(5) Uani 1 1 d . . .
O2 O 0.5338(3) 0.0152(3) 0.2058(2) 0.0594(14) Uani 1 1 d . . .
O3 O 0.4475(3) 0.0278(4) 0.0861(3) 0.0758(18) Uani 1 1 d . . .
O4 O 0.5728(3) 0.0824(4) 0.1305(3) 0.0688(17) Uani 1 1 d . . .
O5 O 0.4671(3) 0.1898(3) 0.1064(2) 0.0553(14) Uani 1 1 d . . .
O6 O 0.5511(3) 0.1860(3) 0.2144(2) 0.0639(16) Uani 1 1 d . . .
O7 O 0.5764(3) 0.1044(4) 0.3236(3) 0.0672(16) Uani 1 1 d . . .
O8 O 0.6761(3) 0.1969(3) 0.3167(3) 0.0655(17) Uani 1 1 d . . .
O9 O 0.5658(3) 0.2811(4) 0.3165(3) 0.0609(15) Uani 1 1 d . . .
O10 O 0.5783(3) 0.2876(4) 0.1297(3) 0.0751(18) Uani 1 1 d . . .
O11 O 0.4570(3) 0.3521(4) 0.0919(3) 0.079(2) Uani 1 1 d . . .
O12 O 0.5472(3) 0.3578(4) 0.2116(3) 0.0661(16) Uani 1 1 d . . .
O13 O 0.4420(4) 0.4668(5) 0.2015(3) 0.095(2) Uani 1 1 d . . .
Ag1 Ag 0.34424(3) -0.04292(4) -0.63274(2) 0.04982(18) Uani 1 1 d . . .
Ag2 Ag 0.32227(3) 0.25501(4) -0.13325(2) 0.0560(2) Uani 1 1 d . . .
C15 C 0.0327(3) 0.3107(4) -0.5904(3) 0.0409(16) Uani 1 1 d . . .
H15A H 0.0540 0.2897 -0.6120 0.049 Uiso 1 1 calc R . .
C17 C 0.1237(3) 0.2559(4) -0.4990(3) 0.0289(13) Uani 1 1 d . . .
C18 C 0.5978(3) 0.4713(4) -0.0005(3) 0.0301(13) Uani 1 1 d . . .
C19 C 0.0598(3) 0.3009(4) -0.5312(3) 0.0300(13) Uani 1 1 d . . .
C20 C 0.2977(3) 0.0835(4) -0.4957(3) 0.0322(13) Uani 1 1 d . . .
H20A H 0.3199 0.0872 -0.4556 0.039 Uiso 1 1 calc R . .
C21 C 0.5039(3) 0.3847(4) -0.0046(3) 0.0364(14) Uani 1 1 d . . .
H21A H 0.5236 0.3833 0.0356 0.044 Uiso 1 1 calc R . .
C23 C 0.2095(3) 0.2261(4) -0.4136(3) 0.0306(13) Uani 1 1 d . . .
C24 C 0.7203(3) 0.6525(4) -0.1089(3) 0.0350(14) Uani 1 1 d . . .
H24A H 0.7006 0.6572 -0.1489 0.042 Uiso 1 1 calc R . .
C25 C 0.6820(3) 0.5522(4) 0.0056(3) 0.0302(13) Uani 1 1 d . . .
C26 C 0.7775(3) 0.6383(4) 0.0086(3) 0.0380(15) Uani 1 1 d . . .
H26A H 0.7984 0.6345 0.0487 0.046 Uiso 1 1 calc R . .
C27 C 0.5333(3) 0.4272(4) -0.0346(3) 0.0287(13) Uani 1 1 d . . .
C30 C 0.4441(3) 0.3444(4) -0.0366(3) 0.0387(15) Uani 1 1 d . . .
H30A H 0.4242 0.3164 -0.0165 0.046 Uiso 1 1 calc R . .
C31 C 0.2428(3) 0.2367(4) -0.3496(3) 0.0344(14) Uani 1 1 d . . .
C33 C 0.0260(3) 0.3343(5) -0.5014(3) 0.0401(16) Uani 1 1 d . . .
H33A H 0.0431 0.3297 -0.4614 0.048 Uiso 1 1 calc R . .
C36 C 0.2353(3) 0.0643(4) -0.6123(3) 0.0372(15) Uani 1 1 d . . .
H36A H 0.2135 0.0572 -0.6522 0.045 Uiso 1 1 calc R . .
C37 C 0.7148(3) 0.6017(4) -0.0235(3) 0.0308(13) Uani 1 1 d . . .
C39 C 0.2354(3) 0.1216(4) -0.5265(3) 0.0308(13) Uani 1 1 d . . .
C40 C -0.0330(3) 0.3742(5) -0.5321(3) 0.0464(18) Uani 1 1 d . . .
H40A H -0.0550 0.3968 -0.5117 0.056 Uiso 1 1 calc R . .
C41 C 0.6788(4) 0.4561(5) 0.1795(3) 0.0492(19) Uani 1 1 d . . .
H41A H 0.6348 0.4388 0.1592 0.059 Uiso 1 1 calc R . .
C42 C 0.2041(3) 0.1095(4) -0.5857(3) 0.0371(15) Uani 1 1 d . . .
H42A H 0.1620 0.1319 -0.6075 0.045 Uiso 1 1 calc R . .
C43 C 0.6802(3) 0.5021(4) 0.0869(3) 0.0327(14) Uani 1 1 d . . .
C44 C 0.7124(3) 0.4914(4) 0.1511(3) 0.0366(15) Uani 1 1 d . . .
C45 C 0.6865(3) 0.6099(4) -0.0827(3) 0.0331(14) Uani 1 1 d . . .
H45A H 0.6449 0.5869 -0.1051 0.040 Uiso 1 1 calc R . .
C46 C -0.0269(3) 0.3526(5) -0.6169(3) 0.0426(16) Uani 1 1 d . . .
H46A H -0.0444 0.3600 -0.6567 0.051 Uiso 1 1 calc R . .
C47 C 0.8073(3) 0.6801(4) -0.0213(3) 0.0433(17) Uani 1 1 d . . .
H47A H 0.8486 0.7046 -0.0001 0.052 Uiso 1 1 calc R . .
C48 C 0.2053(3) 0.1721(4) -0.4962(3) 0.0298(13) Uani 1 1 d . . .
C49 C 0.3248(3) 0.0404(4) -0.5269(3) 0.0373(15) Uani 1 1 d . . .
H49A H 0.3668 0.0171 -0.5065 0.045 Uiso 1 1 calc R . .
C50 C 0.5016(3) 0.4279(4) -0.0943(3) 0.0401(15) Uani 1 1 d . . .
H50A H 0.5191 0.4576 -0.1154 0.048 Uiso 1 1 calc R . .
C53 C 0.8066(4) 0.5049(5) 0.2413(3) 0.053(2) Uani 1 1 d . . .
H53A H 0.8506 0.5219 0.2624 0.063 Uiso 1 1 calc R . .
C54 C 0.7118(4) 0.4464(6) 0.2392(3) 0.056(2) Uani 1 1 d . . .
H54A H 0.6890 0.4222 0.2584 0.067 Uiso 1 1 calc R . .
C55 C 0.2449(4) 0.2951(5) -0.2641(3) 0.055(2) Uani 1 1 d . . .
H55A H 0.2260 0.3299 -0.2466 0.066 Uiso 1 1 calc R . .
C56 C 0.4438(3) 0.3840(5) -0.1218(3) 0.0451(17) Uani 1 1 d . . .
H56A H 0.4245 0.3824 -0.1620 0.054 Uiso 1 1 calc R . .
C57 C 0.2144(4) 0.2876(5) -0.3232(3) 0.0476(18) Uani 1 1 d . . .
H57A H 0.1754 0.3162 -0.3451 0.057 Uiso 1 1 calc R . .
C58 C 0.3280(4) 0.2086(6) -0.2570(3) 0.058(2) Uani 1 1 d . . .
H58A H 0.3672 0.1809 -0.2344 0.069 Uiso 1 1 calc R . .
C59 C 0.7780(4) 0.5166(5) 0.1822(3) 0.0473(18) Uani 1 1 d . . .
H59A H 0.8019 0.5406 0.1640 0.057 Uiso 1 1 calc R . .
C60 C 0.3022(4) 0.1993(5) -0.3161(3) 0.0494(19) Uani 1 1 d . . .
H60A H 0.3245 0.1684 -0.3328 0.059 Uiso 1 1 calc R . .
N1 N 0.2957(3) 0.0300(3) -0.5833(2) 0.0355(12) Uani 1 1 d . . .
N2 N -0.0608(3) 0.3829(4) -0.5892(2) 0.0389(13) Uani 1 1 d . . .
N3 N 0.3008(3) 0.2544(4) -0.2303(3) 0.0513(16) Uani 1 1 d . . .
N4 N 0.1477(3) 0.2104(3) -0.5286(2) 0.0332(12) Uani 1 1 d . . .
N5 N 0.1526(3) 0.2668(3) -0.4419(2) 0.0341(12) Uani 1 1 d . . .
N6 N 0.2379(3) 0.1775(3) -0.4383(2) 0.0336(12) Uani 1 1 d . . .
N7 N 0.7799(3) 0.6871(3) -0.0789(2) 0.0369(13) Uani 1 1 d . . .
N8 N 0.4135(3) 0.3432(3) -0.0941(2) 0.0387(13) Uani 1 1 d . . .
N9 N 0.7753(3) 0.4708(4) 0.2700(3) 0.0498(15) Uani 1 1 d . . .
N10 N 0.6259(2) 0.5127(3) -0.0279(2) 0.0323(11) Uani 1 1 d . . .
N11 N 0.6229(3) 0.4630(3) 0.0575(2) 0.0352(12) Uani 1 1 d . . .
N12 N 0.7110(3) 0.5491(3) 0.0635(2) 0.0359(12) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O1 1.702(9) 2_655 ?
Mo1 O1 1.702(9) . ?
Mo1 O2 1.804(6) 2_655 ?
Mo1 O2 1.804(6) . ?
Mo2 O3 1.713(6) . ?
Mo2 O4 1.687(6) . ?
Mo2 O5 1.869(5) . ?
Mo2 O2 1.977(6) . ?
Mo2 O7 2.299(6) 2_655 ?
Mo2 O6 2.379(6) . ?
Mo3 O10 1.703(6) . ?
Mo3 O11 1.665(6) . ?
Mo3 O5 1.946(6) . ?
Mo3 O12 1.943(6) . ?
Mo3 O9 2.293(5) 2_655 ?
Mo3 O6 2.405(6) . ?
Mo4 O13 1.673(8) 2_655 ?
Mo4 O13 1.673(7) . ?
Mo4 O12 1.894(6) . ?
Mo4 O12 1.894(6) 2_655 ?
Mo5 O8 1.681(5) . ?
Mo5 O6 1.764(6) . ?
Mo5 O9 1.804(6) . ?
Mo5 O7 1.801(6) . ?
O7 Mo2 2.299(6) 2_655 ?
O9 Mo3 2.293(5) 2_655 ?
Ag1 N2 2.269(5) 3_545 ?
Ag1 N9 2.307(6) 3_444 ?
Ag1 N1 2.317(5) . ?
Ag2 N7 2.278(5) 3_445 ?
Ag2 N8 2.338(5) . ?
Ag2 N3 2.320(6) . ?
C15 C46 1.380(10) . ?
C15 C19 1.380(9) . ?
C17 N4 1.328(8) . ?
C17 N5 1.333(8) . ?
C17 C19 1.492(8) . ?
C18 N11 1.351(8) . ?
C18 N10 1.308(8) . ?
C18 C27 1.502(8) . ?
C19 C33 1.390(9) . ?
C20 C39 1.407(9) . ?
C20 C49 1.383(9) . ?
C21 C30 1.390(9) . ?
C21 C27 1.390(9) . ?
C23 N6 1.333(8) . ?
C23 N5 1.334(8) . ?
C23 C31 1.490(9) . ?
C24 N7 1.335(8) . ?
C24 C45 1.388(9) . ?
C25 N12 1.340(8) . ?
C25 N10 1.338(8) . ?
C25 C37 1.487(8) . ?
C26 C47 1.387(9) . ?
C26 C37 1.408(9) . ?
C27 C50 1.381(9) . ?
C30 N8 1.332(9) . ?
C31 C60 1.369(10) . ?
C31 C57 1.388(9) . ?
C33 C40 1.369(9) . ?
C36 C42 1.378(9) . ?
C36 N1 1.343(8) . ?
C37 C45 1.377(9) . ?
C39 C42 1.384(9) . ?
C39 C48 1.478(9) . ?
C40 N2 1.329(9) . ?
C41 C54 1.393(10) . ?
C41 C44 1.369(10) . ?
C43 N11 1.331(8) . ?
C43 N12 1.333(8) . ?
C43 C44 1.496(9) . ?
C44 C59 1.382(10) . ?
C46 N2 1.329(9) . ?
C47 N7 1.337(9) . ?
C48 N6 1.345(8) . ?
C48 N4 1.343(8) . ?
C49 N1 1.316(8) . ?
C50 C56 1.372(10) . ?
C53 N9 1.328(10) . ?
C53 C59 1.381(10) . ?
C54 N9 1.342(10) . ?
C55 C57 1.373(10) . ?
C55 N3 1.347(10) . ?
C56 N8 1.347(9) . ?
C58 N3 1.325(10) . ?
C58 C60 1.378(11) . ?
N2 Ag1 2.269(5) 3_455 ?
N7 Ag2 2.278(5) 3 ?
N9 Ag1 2.307(6) 3_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mo1 O1 103.9(10) 2_655 . ?
O1 Mo1 O2 108.6(4) 2_655 2_655 ?
O1 Mo1 O2 104.7(4) . 2_655 ?
O1 Mo1 O2 104.7(4) 2_655 . ?
O1 Mo1 O2 108.6(4) . . ?
O2 Mo1 O2 124.7(4) 2_655 . ?
O3 Mo2 O4 102.8(3) . . ?
O3 Mo2 O5 99.7(3) . . ?
O4 Mo2 O5 103.0(3) . . ?
O3 Mo2 O2 100.4(3) . . ?
O4 Mo2 O2 93.0(3) . . ?
O5 Mo2 O2 150.7(2) . . ?
O3 Mo2 O7 90.4(3) . 2_655 ?
O4 Mo2 O7 164.6(3) . 2_655 ?
O5 Mo2 O7 82.1(2) . 2_655 ?
O2 Mo2 O7 76.7(2) . 2_655 ?
O3 Mo2 O6 165.7(3) . . ?
O4 Mo2 O6 91.2(3) . . ?
O5 Mo2 O6 74.0(2) . . ?
O2 Mo2 O6 81.5(2) . . ?
O7 Mo2 O6 76.2(2) 2_655 . ?
O10 Mo3 O11 103.7(3) . . ?
O10 Mo3 O5 99.1(3) . . ?
O11 Mo3 O5 97.3(3) . . ?
O10 Mo3 O12 96.5(3) . . ?
O11 Mo3 O12 104.3(3) . . ?
O5 Mo3 O12 149.4(2) . . ?
O10 Mo3 O9 164.9(3) . 2_655 ?
O11 Mo3 O9 90.8(3) . 2_655 ?
O5 Mo3 O9 82.8(2) . 2_655 ?
O12 Mo3 O9 75.6(2) . 2_655 ?
O10 Mo3 O6 92.2(3) . . ?
O11 Mo3 O6 162.3(3) . . ?
O5 Mo3 O6 72.1(2) . . ?
O12 Mo3 O6 81.3(2) . . ?
O9 Mo3 O6 74.1(2) 2_655 . ?
O13 Mo4 O13 107.4(5) 2_655 . ?
O13 Mo4 O12 103.0(3) 2_655 . ?
O13 Mo4 O12 106.7(3) . . ?
O13 Mo4 O12 106.7(3) 2_655 2_655 ?
O13 Mo4 O12 103.0(3) . 2_655 ?
O12 Mo4 O12 128.8(4) . 2_655 ?
O8 Mo5 O6 113.7(3) . . ?
O8 Mo5 O9 106.9(3) . . ?
O6 Mo5 O9 111.5(3) . . ?
O8 Mo5 O7 104.1(3) . . ?
O6 Mo5 O7 110.9(3) . . ?
O9 Mo5 O7 109.4(3) . . ?
Mo1 O2 Mo2 137.4(3) . . ?
Mo2 O5 Mo3 122.2(3) . . ?
Mo5 O6 Mo3 129.9(3) . . ?
Mo5 O6 Mo2 141.0(3) . . ?
Mo3 O6 Mo2 88.59(19) . . ?
Mo5 O7 Mo2 127.3(3) . 2_655 ?
Mo5 O9 Mo3 128.9(3) . 2_655 ?
Mo4 O12 Mo3 126.3(3) . . ?
N2 Ag1 N9 128.9(2) 3_545 3_444 ?
N2 Ag1 N1 124.0(2) 3_545 . ?
N9 Ag1 N1 107.0(2) 3_444 . ?
N7 Ag2 N8 123.4(2) 3_445 . ?
N7 Ag2 N3 134.6(2) 3_445 . ?
N8 Ag2 N3 101.9(2) . . ?
C46 C15 C19 118.3(6) . . ?
N4 C17 N5 125.5(6) . . ?
N4 C17 C19 118.7(5) . . ?
N5 C17 C19 115.7(5) . . ?
N11 C18 N10 125.1(6) . . ?
N11 C18 C27 115.5(5) . . ?
N10 C18 C27 119.4(5) . . ?
C33 C19 C15 118.2(6) . . ?
C33 C19 C17 119.8(5) . . ?
C15 C19 C17 122.0(6) . . ?
C39 C20 C49 117.9(6) . . ?
C30 C21 C27 117.9(6) . . ?
N6 C23 N5 124.8(6) . . ?
N6 C23 C31 118.7(5) . . ?
N5 C23 C31 116.5(5) . . ?
N7 C24 C45 122.7(6) . . ?
N12 C25 N10 124.3(6) . . ?
N12 C25 C37 118.0(5) . . ?
N10 C25 C37 117.7(5) . . ?
C47 C26 C37 118.2(6) . . ?
C50 C27 C21 118.6(6) . . ?
C50 C27 C18 123.0(6) . . ?
C21 C27 C18 118.4(5) . . ?
N8 C30 C21 124.3(6) . . ?
C60 C31 C57 118.7(6) . . ?
C60 C31 C23 121.7(6) . . ?
C57 C31 C23 119.5(6) . . ?
C19 C33 C40 118.6(6) . . ?
C42 C36 N1 122.9(6) . . ?
C26 C37 C45 118.0(6) . . ?
C26 C37 C25 120.9(6) . . ?
C45 C37 C25 121.1(5) . . ?
C20 C39 C42 117.4(6) . . ?
C20 C39 C48 120.6(6) . . ?
C42 C39 C48 122.0(6) . . ?
N2 C40 C33 124.2(6) . . ?
C54 C41 C44 118.9(7) . . ?
C36 C42 C39 119.9(6) . . ?
N11 C43 N12 125.0(6) . . ?
N11 C43 C44 117.1(6) . . ?
N12 C43 C44 117.9(6) . . ?
C59 C44 C43 119.1(6) . . ?
C59 C44 C41 119.5(6) . . ?
C43 C44 C41 121.4(6) . . ?
C24 C45 C37 119.7(6) . . ?
C15 C46 N2 124.2(6) . . ?
C26 C47 N7 123.5(6) . . ?
N6 C48 N4 124.6(6) . . ?
N6 C48 C39 117.9(5) . . ?
N4 C48 C39 117.5(6) . . ?
N1 C49 C20 124.8(6) . . ?
C27 C50 C56 119.0(6) . . ?
N9 C53 C59 124.2(7) . . ?
C41 C54 N9 122.3(7) . . ?
C57 C55 N3 123.0(7) . . ?
N8 C56 C50 123.9(6) . . ?
C55 C57 C31 118.8(7) . . ?
N3 C58 C60 124.3(7) . . ?
C53 C59 C44 117.7(7) . . ?
C58 C60 C31 118.2(7) . . ?
C49 N1 C36 117.1(6) . . ?
C49 N1 Ag1 123.0(4) . . ?
C36 N1 Ag1 119.9(4) . . ?
C46 N2 C40 116.4(6) . . ?
C46 N2 Ag1 123.7(4) . 3_455 ?
C40 N2 Ag1 119.6(4) . 3_455 ?
C58 N3 C55 116.7(6) . . ?
C58 N3 Ag2 128.6(5) . . ?
C55 N3 Ag2 113.4(5) . . ?
C17 N4 C48 114.7(5) . . ?
C17 N5 C23 115.2(5) . . ?
C23 N6 C48 115.1(5) . . ?
C24 N7 C47 117.9(6) . . ?
C24 N7 Ag2 114.9(4) . 3 ?
C47 N7 Ag2 127.2(4) . 3 ?
C30 N8 C56 116.3(6) . . ?
C30 N8 Ag2 114.9(4) . . ?
C56 N8 Ag2 128.2(5) . . ?
C53 N9 C54 117.5(6) . . ?
C53 N9 Ag1 112.3(5) . 3_556 ?
C54 N9 Ag1 130.1(5) . 3_556 ?
C18 N10 C25 115.8(5) . . ?
C18 N11 C43 114.6(5) . . ?
C25 N12 C43 115.1(5) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         2.030
_refine_diff_density_min         -1.006
_refine_diff_density_rms         0.143
_database_code_depnum_ccdc_archive 'CCDC 976109'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_310K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0501(7)
_cell_length_b                   16.5079(5)
_cell_length_c                   25.5960(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.291(4)
_cell_angle_gamma                90.00
_cell_volume                     8423.9(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    310.01(10)
_cell_measurement_reflns_used    15484
_cell_measurement_theta_min      3.1940
_cell_measurement_theta_max      29.0070

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.258
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.147
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.74970
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      310.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19486
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7225
_reflns_number_gt                6214
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0606P)²+60.6413P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7225
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.1135
_refine_ls_wR_factor_gt          0.1060
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.5000 0.09332(6) 0.2500 0.0434(2) Uani 1 2 d S . .
Mo2 Mo 0.50944(2) 0.20885(3) 0.14323(2) 0.02850(14) Uani 1 1 d . . .
Mo3 Mo 0.50127(2) 0.41067(3) 0.139337(19) 0.02704(13) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.53694(6) 0.2500 0.0473(2) Uani 1 2 d S . .
Mo5 Mo 0.59175(2) 0.30689(3) 0.29073(2) 0.02689(13) Uani 1 1 d . . .
O1 O 0.4423(3) 0.0332(4) 0.2008(3) 0.0750(17) Uani 1 1 d . . .
O2 O 0.5481(2) 0.1415(3) 0.2117(2) 0.0516(12) Uani 1 1 d . . .
O3 O 0.4580(3) 0.1455(3) 0.0924(2) 0.0597(14) Uani 1 1 d . . .
O4 O 0.5788(3) 0.2129(3) 0.1300(2) 0.0594(14) Uani 1 1 d . . .
O5 O 0.4669(2) 0.3100(3) 0.10612(19) 0.0449(11) Uani 1 1 d . . .
O6 O 0.5511(3) 0.3140(3) 0.2145(2) 0.0527(12) Uani 1 1 d . . .
O7 O 0.5652(2) 0.2180(3) 0.3162(2) 0.0504(12) Uani 1 1 d . . .
O8 O 0.6763(2) 0.3020(3) 0.3163(2) 0.0556(14) Uani 1 1 d . . .
O9 O 0.5761(3) 0.3956(3) 0.3234(2) 0.0545(13) Uani 1 1 d . . .
O10 O 0.4478(3) 0.4736(3) 0.0866(2) 0.0594(14) Uani 1 1 d . . .
O11 O 0.5732(2) 0.4171(3) 0.1308(2) 0.0538(13) Uani 1 1 d . . .
O12 O 0.5343(2) 0.4856(3) 0.2063(2) 0.0480(11) Uani 1 1 d . . .
O13 O 0.4374(5) 0.6002(5) 0.2061(4) 0.137(4) Uani 1 1 d . . .
Ag1 Ag 0.34423(2) 0.54263(3) -0.63245(2) 0.04073(15) Uani 1 1 d . . .
Ag2 Ag 0.32266(3) 0.24611(3) -0.13300(2) 0.04577(16) Uani 1 1 d . . .
C15 C 0.1238(3) 0.2435(3) -0.4986(2) 0.0234(11) Uani 1 1 d . . .
C20 C 0.5980(3) 0.0293(3) 0.0002(2) 0.0237(11) Uani 1 1 d . . .
C21 C 0.7203(3) -0.1523(3) -0.1083(2) 0.0290(12) Uani 1 1 d . . .
H21A H 0.7006 -0.1569 -0.1484 0.035 Uiso 1 1 calc R . .
C22 C 0.0328(3) 0.1885(4) -0.5898(3) 0.0325(13) Uani 1 1 d . . .
H22A H 0.0543 0.2095 -0.6112 0.039 Uiso 1 1 calc R . .
C24 C 0.0597(3) 0.1987(3) -0.5308(2) 0.0261(12) Uani 1 1 d . . .
C25 C 0.7778(3) -0.1384(3) 0.0090(3) 0.0334(13) Uani 1 1 d . . .
H25A H 0.7986 -0.1350 0.0491 0.040 Uiso 1 1 calc R . .
C26 C 0.4440(3) 0.1558(4) -0.0359(3) 0.0315(13) Uani 1 1 d . . .
H26A H 0.4239 0.1835 -0.0158 0.038 Uiso 1 1 calc R . .
C27 C 0.2352(3) 0.4355(4) -0.6118(3) 0.0315(13) Uani 1 1 d . . .
H27A H 0.2134 0.4425 -0.6517 0.038 Uiso 1 1 calc R . .
C28 C 0.2978(3) 0.4160(3) -0.4954(2) 0.0279(12) Uani 1 1 d . . .
H28A H 0.3200 0.4118 -0.4554 0.034 Uiso 1 1 calc R . .
C29 C 0.2430(3) 0.2632(3) -0.3494(2) 0.0284(12) Uani 1 1 d . . .
C31 C 0.6824(3) -0.0522(3) 0.0061(2) 0.0259(11) Uani 1 1 d . . .
C32 C 0.5036(3) 0.1155(4) -0.0042(2) 0.0290(12) Uani 1 1 d . . .
H32A H 0.5232 0.1167 0.0360 0.035 Uiso 1 1 calc R . .
C33 C 0.2097(3) 0.2739(3) -0.4130(2) 0.0258(11) Uani 1 1 d . . .
C35 C 0.0258(3) 0.1649(4) -0.5010(2) 0.0348(14) Uani 1 1 d . . .
H35A H 0.0431 0.1694 -0.4610 0.042 Uiso 1 1 calc R . .
C37 C 0.5335(2) 0.0734(3) -0.0339(2) 0.0231(11) Uani 1 1 d . . .
C39 C 0.2357(3) 0.3787(3) -0.5260(2) 0.0261(11) Uani 1 1 d . . .
C40 C 0.2054(2) 0.3280(3) -0.4956(2) 0.0240(11) Uani 1 1 d . . .
C42 C 0.6792(3) 0.0441(4) 0.1806(3) 0.0423(16) Uani 1 1 d . . .
H42A H 0.6352 0.0619 0.1605 0.051 Uiso 1 1 calc R . .
C43 C 0.2040(3) 0.3903(4) -0.5854(2) 0.0318(13) Uani 1 1 d . . .
H43A H 0.1620 0.3677 -0.6070 0.038 Uiso 1 1 calc R . .
C44 C -0.0331(3) 0.1250(4) -0.5314(3) 0.0387(15) Uani 1 1 d . . .
H44A H -0.0553 0.1028 -0.5110 0.046 Uiso 1 1 calc R . .
C45 C 0.7153(3) -0.1019(3) -0.0231(2) 0.0259(11) Uani 1 1 d . . .
C46 C 0.6802(3) -0.0021(3) 0.0874(2) 0.0282(12) Uani 1 1 d . . .
C47 C 0.7125(3) 0.0083(4) 0.1513(2) 0.0316(13) Uani 1 1 d . . .
C48 C 0.8078(3) -0.1801(4) -0.0212(3) 0.0347(14) Uani 1 1 d . . .
H48A H 0.8492 -0.2045 -0.0003 0.042 Uiso 1 1 calc R . .
C49 C 0.3253(3) 0.4594(3) -0.5266(3) 0.0304(12) Uani 1 1 d . . .
H49A H 0.3674 0.4826 -0.5062 0.036 Uiso 1 1 calc R . .
C50 C -0.0267(3) 0.1464(4) -0.6164(3) 0.0344(13) Uani 1 1 d . . .
H50A H -0.0440 0.1387 -0.6562 0.041 Uiso 1 1 calc R . .
C51 C 0.5020(3) 0.0727(4) -0.0935(3) 0.0332(13) Uani 1 1 d . . .
H51A H 0.5198 0.0433 -0.1146 0.040 Uiso 1 1 calc R . .
C52 C 0.8071(3) -0.0049(4) 0.2419(3) 0.0447(16) Uani 1 1 d . . .
H52A H 0.8513 -0.0215 0.2628 0.054 Uiso 1 1 calc R . .
C53 C 0.6863(3) -0.1099(3) -0.0825(2) 0.0283(12) Uani 1 1 d . . .
H53A H 0.6445 -0.0873 -0.1048 0.034 Uiso 1 1 calc R . .
C54 C 0.7122(3) 0.0533(5) 0.2402(3) 0.0465(17) Uani 1 1 d . . .
H54A H 0.6895 0.0774 0.2595 0.056 Uiso 1 1 calc R . .
C55 C 0.4439(3) 0.1164(4) -0.1211(2) 0.0361(14) Uani 1 1 d . . .
H55A H 0.4244 0.1179 -0.1612 0.043 Uiso 1 1 calc R . .
C56 C 0.2453(3) 0.2047(4) -0.2634(3) 0.0458(16) Uani 1 1 d . . .
H56A H 0.2263 0.1700 -0.2459 0.055 Uiso 1 1 calc R . .
C57 C 0.3023(3) 0.3015(4) -0.3156(3) 0.0393(15) Uani 1 1 d . . .
H57A H 0.3243 0.3332 -0.3322 0.047 Uiso 1 1 calc R . .
C58 C 0.3283(3) 0.2920(5) -0.2564(3) 0.0493(18) Uani 1 1 d . . .
H58A H 0.3675 0.3197 -0.2338 0.059 Uiso 1 1 calc R . .
C59 C 0.7781(3) -0.0165(4) 0.1829(3) 0.0377(14) Uani 1 1 d . . .
H59A H 0.8021 -0.0405 0.1647 0.045 Uiso 1 1 calc R . .
C60 C 0.2151(3) 0.2113(4) -0.3227(3) 0.0390(15) Uani 1 1 d . . .
H60A H 0.1767 0.1816 -0.3446 0.047 Uiso 1 1 calc R . .
N1 N -0.0608(2) 0.1162(3) -0.5886(2) 0.0332(11) Uani 1 1 d . . .
N2 N 0.2956(2) 0.4700(3) -0.5831(2) 0.0291(10) Uani 1 1 d . . .
N3 N 0.3008(3) 0.2457(3) -0.2296(2) 0.0415(13) Uani 1 1 d . . .
N4 N 0.1478(2) 0.2896(3) -0.5282(2) 0.0277(10) Uani 1 1 d . . .
N5 N 0.2380(2) 0.3226(3) -0.43786(19) 0.0276(10) Uani 1 1 d . . .
N6 N 0.1529(2) 0.2328(3) -0.4412(2) 0.0293(10) Uani 1 1 d . . .
N7 N 0.7800(2) -0.1867(3) -0.0787(2) 0.0319(11) Uani 1 1 d . . .
N8 N 0.4136(2) 0.1572(3) -0.0933(2) 0.0327(11) Uani 1 1 d . . .
N9 N 0.7754(3) 0.0290(3) 0.2708(2) 0.0416(13) Uani 1 1 d . . .
N10 N 0.6261(2) -0.0121(3) -0.02746(19) 0.0251(10) Uani 1 1 d . . .
N11 N 0.6229(2) 0.0370(3) 0.0580(2) 0.0290(10) Uani 1 1 d . . .
N12 N 0.7115(2) -0.0495(3) 0.0641(2) 0.0321(11) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O1 1.679(6) 2_655 ?
Mo1 O1 1.679(6) . ?
Mo1 O2 1.899(5) 2_655 ?
Mo1 O2 1.899(5) . ?
Mo2 O4 1.702(5) . ?
Mo2 O3 1.677(5) . ?
Mo2 O2 1.938(5) . ?
Mo2 O5 1.951(5) . ?
Mo2 O7 2.297(5) 2_655 ?
Mo2 O6 2.399(5) . ?
Mo3 O11 1.694(5) . ?
Mo3 O10 1.712(5) . ?
Mo3 O5 1.873(5) . ?
Mo3 O12 1.982(5) . ?
Mo3 O9 2.296(5) 2_655 ?
Mo3 O6 2.377(5) . ?
Mo4 O13 1.712(7) 2_655 ?
Mo4 O13 1.712(7) . ?
Mo4 O12 1.807(5) 2_655 ?
Mo4 O12 1.807(5) . ?
Mo5 O8 1.692(4) . ?
Mo5 O7 1.801(5) . ?
Mo5 O6 1.769(5) . ?
Mo5 O9 1.791(5) . ?
O7 Mo2 2.297(5) 2_655 ?
O9 Mo3 2.296(5) 2_655 ?
Ag1 N2 2.310(5) . ?
Ag1 N1 2.261(5) 3 ?
Ag1 N9 2.297(5) 3_454 ?
Ag2 N7 2.272(5) 3_455 ?
Ag2 N3 2.308(5) . ?
Ag2 N8 2.338(5) . ?
C15 N4 1.333(7) . ?
C15 N6 1.339(7) . ?
C15 C24 1.493(7) . ?
C20 N11 1.347(7) . ?
C20 N10 1.314(7) . ?
C20 C37 1.501(7) . ?
C21 N7 1.334(7) . ?
C21 C53 1.383(8) . ?
C22 C50 1.380(8) . ?
C22 C24 1.375(8) . ?
C24 C35 1.393(8) . ?
C25 C45 1.404(8) . ?
C25 C48 1.396(8) . ?
C26 N8 1.330(7) . ?
C26 C32 1.385(8) . ?
C27 C43 1.374(8) . ?
C27 N2 1.342(7) . ?
C28 C39 1.396(8) . ?
C28 C49 1.389(8) . ?
C29 C57 1.376(8) . ?
C29 C60 1.392(8) . ?
C29 C33 1.484(7) . ?
C31 N10 1.343(7) . ?
C31 N12 1.344(7) . ?
C31 C45 1.490(7) . ?
C32 C37 1.387(7) . ?
C33 N5 1.334(7) . ?
C33 N6 1.333(7) . ?
C35 C44 1.366(8) . ?
C37 C51 1.380(8) . ?
C39 C43 1.388(8) . ?
C39 C40 1.482(8) . ?
C40 N5 1.343(7) . ?
C40 N4 1.345(7) . ?
C42 C54 1.390(9) . ?
C42 C47 1.385(8) . ?
C44 N1 1.332(8) . ?
C45 C53 1.382(8) . ?
C46 N11 1.330(7) . ?
C46 N12 1.341(7) . ?
C46 C47 1.488(8) . ?
C47 C59 1.384(8) . ?
C48 N7 1.335(8) . ?
C49 N2 1.322(7) . ?
C50 N1 1.334(7) . ?
C51 C55 1.374(8) . ?
C52 N9 1.338(9) . ?
C52 C59 1.380(9) . ?
C54 N9 1.335(8) . ?
C55 N8 1.345(8) . ?
C56 C60 1.378(9) . ?
C56 N3 1.341(9) . ?
C57 C58 1.380(9) . ?
C58 N3 1.334(8) . ?
N1 Ag1 2.261(5) 3_445 ?
N7 Ag2 2.272(5) 3_545 ?
N9 Ag1 2.297(5) 3_546 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mo1 O1 107.6(4) 2_655 . ?
O1 Mo1 O2 105.7(3) 2_655 2_655 ?
O1 Mo1 O2 102.9(3) . 2_655 ?
O1 Mo1 O2 102.9(3) 2_655 . ?
O1 Mo1 O2 105.7(3) . . ?
O2 Mo1 O2 130.5(3) 2_655 . ?
O4 Mo2 O3 103.8(3) . . ?
O4 Mo2 O2 96.7(2) . . ?
O3 Mo2 O2 103.5(3) . . ?
O4 Mo2 O5 98.9(2) . . ?
O3 Mo2 O5 97.5(2) . . ?
O2 Mo2 O5 149.88(19) . . ?
O4 Mo2 O7 164.9(2) . 2_655 ?
O3 Mo2 O7 90.8(2) . 2_655 ?
O2 Mo2 O7 75.65(19) . 2_655 ?
O5 Mo2 O7 82.85(19) . 2_655 ?
O4 Mo2 O6 92.2(2) . . ?
O3 Mo2 O6 162.5(2) . . ?
O2 Mo2 O6 81.35(18) . . ?
O5 Mo2 O6 72.50(17) . . ?
O7 Mo2 O6 73.96(18) 2_655 . ?
O11 Mo3 O10 103.2(3) . . ?
O11 Mo3 O5 102.5(2) . . ?
O10 Mo3 O5 99.9(2) . . ?
O11 Mo3 O12 93.1(2) . . ?
O10 Mo3 O12 100.2(2) . . ?
O5 Mo3 O12 150.9(2) . . ?
O11 Mo3 O9 164.3(2) . 2_655 ?
O10 Mo3 O9 90.5(2) . 2_655 ?
O5 Mo3 O9 82.20(19) . 2_655 ?
O12 Mo3 O9 76.85(19) . 2_655 ?
O11 Mo3 O6 90.7(2) . . ?
O10 Mo3 O6 165.9(2) . . ?
O5 Mo3 O6 74.27(18) . . ?
O12 Mo3 O6 81.22(18) . . ?
O9 Mo3 O6 76.08(18) 2_655 . ?
O13 Mo4 O13 104.8(8) 2_655 . ?
O13 Mo4 O12 108.2(3) 2_655 2_655 ?
O13 Mo4 O12 105.0(3) . 2_655 ?
O13 Mo4 O12 105.0(3) 2_655 . ?
O13 Mo4 O12 108.2(3) . . ?
O12 Mo4 O12 124.1(3) 2_655 . ?
O8 Mo5 O7 107.2(2) . . ?
O8 Mo5 O6 112.7(3) . . ?
O7 Mo5 O6 111.3(2) . . ?
O8 Mo5 O9 104.9(2) . . ?
O7 Mo5 O9 109.9(2) . . ?
O6 Mo5 O9 110.7(2) . . ?
Mo2 O2 Mo1 125.5(3) . . ?
Mo3 O5 Mo2 121.4(2) . . ?
Mo5 O6 Mo3 141.1(2) . . ?
Mo5 O6 Mo2 129.8(2) . . ?
Mo3 O6 Mo2 88.61(16) . . ?
Mo5 O7 Mo2 128.6(2) . 2_655 ?
Mo5 O9 Mo3 127.5(2) . 2_655 ?
Mo4 O12 Mo3 137.0(3) . . ?
N2 Ag1 N1 123.74(17) . 3 ?
N2 Ag1 N9 106.89(18) . 3_454 ?
N1 Ag1 N9 129.29(19) 3 3_454 ?
N7 Ag2 N3 134.84(19) 3_455 . ?
N7 Ag2 N8 122.88(17) 3_455 . ?
N3 Ag2 N8 102.21(18) . . ?
N4 C15 N6 125.4(5) . . ?
N4 C15 C24 118.6(5) . . ?
N6 C15 C24 116.0(5) . . ?
N11 C20 N10 125.2(5) . . ?
N11 C20 C37 115.7(5) . . ?
N10 C20 C37 119.2(5) . . ?
N7 C21 C53 123.3(5) . . ?
C50 C22 C24 118.5(5) . . ?
C35 C24 C22 118.2(5) . . ?
C35 C24 C15 119.8(5) . . ?
C22 C24 C15 122.0(5) . . ?
C45 C25 C48 117.8(5) . . ?
N8 C26 C32 124.0(5) . . ?
C43 C27 N2 123.4(5) . . ?
C39 C28 C49 118.0(5) . . ?
C57 C29 C60 118.4(5) . . ?
C57 C29 C33 121.9(5) . . ?
C60 C29 C33 119.7(5) . . ?
N10 C31 N12 124.4(5) . . ?
N10 C31 C45 117.7(5) . . ?
N12 C31 C45 117.8(5) . . ?
C37 C32 C26 118.3(5) . . ?
N5 C33 N6 124.9(5) . . ?
N5 C33 C29 118.8(5) . . ?
N6 C33 C29 116.3(5) . . ?
C44 C35 C24 118.9(5) . . ?
C51 C37 C32 118.5(5) . . ?
C51 C37 C20 122.9(5) . . ?
C32 C37 C20 118.6(5) . . ?
C28 C39 C43 117.9(5) . . ?
C28 C39 C40 120.6(5) . . ?
C43 C39 C40 121.5(5) . . ?
N5 C40 N4 124.8(5) . . ?
N5 C40 C39 117.8(5) . . ?
N4 C40 C39 117.4(5) . . ?
C54 C42 C47 119.4(6) . . ?
C27 C43 C39 119.4(5) . . ?
C35 C44 N1 123.8(5) . . ?
C25 C45 C53 118.7(5) . . ?
C25 C45 C31 120.7(5) . . ?
C53 C45 C31 120.5(5) . . ?
N11 C46 N12 125.2(5) . . ?
N11 C46 C47 117.4(5) . . ?
N12 C46 C47 117.4(5) . . ?
C42 C47 C59 118.3(5) . . ?
C42 C47 C46 121.8(5) . . ?
C59 C47 C46 119.9(5) . . ?
C25 C48 N7 123.3(5) . . ?
C28 C49 N2 124.3(5) . . ?
C22 C50 N1 123.9(5) . . ?
C37 C51 C55 118.8(5) . . ?
N9 C52 C59 123.8(6) . . ?
C21 C53 C45 118.9(5) . . ?
N9 C54 C42 122.5(6) . . ?
N8 C55 C51 123.8(5) . . ?
C60 C56 N3 123.3(6) . . ?
C29 C57 C58 118.4(6) . . ?
N3 C58 C57 124.3(6) . . ?
C52 C59 C47 118.6(6) . . ?
C56 C60 C29 118.8(6) . . ?
C50 N1 C44 116.6(5) . . ?
C50 N1 Ag1 123.4(4) . 3_445 ?
C44 N1 Ag1 119.7(4) . 3_445 ?
C27 N2 C49 117.1(5) . . ?
C27 N2 Ag1 120.3(4) . . ?
C49 N2 Ag1 122.6(4) . . ?
C58 N3 C56 116.6(5) . . ?
C58 N3 Ag2 128.1(4) . . ?
C56 N3 Ag2 114.1(4) . . ?
C15 N4 C40 114.6(5) . . ?
C33 N5 C40 115.2(5) . . ?
C15 N6 C33 115.2(5) . . ?
C21 N7 C48 118.0(5) . . ?
C21 N7 Ag2 115.2(4) . 3_545 ?
C48 N7 Ag2 126.8(4) . 3_545 ?
C55 N8 C26 116.5(5) . . ?
C55 N8 Ag2 127.7(4) . . ?
C26 N8 Ag2 115.1(4) . . ?
C54 N9 C52 117.5(5) . . ?
C54 N9 Ag1 130.3(4) . 3_546 ?
C52 N9 Ag1 112.1(4) . 3_546 ?
C31 N10 C20 115.6(5) . . ?
C20 N11 C46 114.8(5) . . ?
C31 N12 C46 114.7(5) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.784
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.133
_database_code_depnum_ccdc_archive 'CCDC 976110'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_250K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0700(7)
_cell_length_b                   16.4328(4)
_cell_length_c                   25.6173(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.315(4)
_cell_angle_gamma                90.00
_cell_volume                     8398.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    250.01(10)
_cell_measurement_reflns_used    16591
_cell_measurement_theta_min      3.1930
_cell_measurement_theta_max      29.0530

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.70344
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      250.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19417
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7203
_reflns_number_gt                6278
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0477P)²+52.8779P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7203
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0337
_refine_ls_wR_factor_ref         0.0932
_refine_ls_wR_factor_gt          0.0885
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_restrained_S_all      1.017
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.5000 0.40586(5) 0.2500 0.03572(17) Uani 1 2 d S . .
Mo2 Mo 0.51013(2) 0.29143(3) 0.143517(18) 0.02315(11) Uani 1 1 d . . .
Mo3 Mo 0.50133(2) 0.08883(3) 0.139441(17) 0.02217(11) Uani 1 1 d . . .
Mo4 Mo 0.5000 -0.03830(5) 0.2500 0.04002(19) Uani 1 2 d S . .
Mo5 Mo 0.591628(19) 0.19330(2) 0.291024(18) 0.02183(11) Uani 1 1 d . . .
O1 O 0.4427(2) 0.4671(3) 0.2004(2) 0.0575(12) Uani 1 1 d . . .
O2 O 0.54868(19) 0.3583(2) 0.21208(17) 0.0409(9) Uani 1 1 d . . .
O3 O 0.5790(2) 0.2871(3) 0.12969(19) 0.0467(10) Uani 1 1 d . . .
O4 O 0.4588(2) 0.3561(3) 0.09325(18) 0.0463(10) Uani 1 1 d . . .
O5 O 0.46703(18) 0.1900(2) 0.10644(16) 0.0351(9) Uani 1 1 d . . .
O6 O 0.5513(2) 0.1859(2) 0.21418(17) 0.0440(10) Uani 1 1 d . . .
O7 O 0.56428(19) 0.2822(2) 0.31558(17) 0.0379(9) Uani 1 1 d . . .
O8 O 0.67594(18) 0.1988(2) 0.31600(19) 0.0443(11) Uani 1 1 d . . .
O9 O 0.5760(2) 0.1046(3) 0.32319(18) 0.0444(10) Uani 1 1 d . . .
O10 O 0.4481(2) 0.0253(3) 0.08710(18) 0.0463(10) Uani 1 1 d . . .
O11 O 0.57371(19) 0.0831(3) 0.13110(18) 0.0438(10) Uani 1 1 d . . .
O12 O 0.53463(19) 0.0141(2) 0.20646(16) 0.0370(9) Uani 1 1 d . . .
O13 O 0.4377(4) -0.1011(4) 0.2055(3) 0.112(3) Uani 1 1 d . . .
Ag1 Ag 0.344170(19) -0.04239(3) -0.632204(17) 0.03280(12) Uani 1 1 d . . .
Ag2 Ag 0.32282(2) 0.25282(3) -0.132803(17) 0.03688(13) Uani 1 1 d . . .
C17 C 0.1239(2) 0.2568(3) -0.49814(19) 0.0197(10) Uani 1 1 d . . .
C18 C 0.0332(2) 0.3123(3) -0.5891(2) 0.0258(11) Uani 1 1 d . . .
H18A H 0.0549 0.2914 -0.6103 0.031 Uiso 1 1 calc R . .
C21 C 0.4441(2) 0.3435(3) -0.0352(2) 0.0250(10) Uani 1 1 d . . .
H21A H 0.4241 0.3156 -0.0151 0.030 Uiso 1 1 calc R . .
C23 C 0.5978(2) 0.4702(3) 0.0007(2) 0.0203(10) Uani 1 1 d . . .
C24 C 0.7780(2) 0.6379(3) 0.0092(2) 0.0273(11) Uani 1 1 d . . .
H24A H 0.7989 0.6342 0.0492 0.033 Uiso 1 1 calc R . .
C25 C 0.0600(2) 0.3018(3) -0.5302(2) 0.0207(10) Uani 1 1 d . . .
C26 C 0.2352(2) 0.0646(3) -0.6116(2) 0.0265(11) Uani 1 1 d . . .
H26A H 0.2132 0.0575 -0.6514 0.032 Uiso 1 1 calc R . .
C27 C 0.5036(2) 0.3837(3) -0.0037(2) 0.0247(10) Uani 1 1 d . . .
H27A H 0.5232 0.3823 0.0365 0.030 Uiso 1 1 calc R . .
C29 C 0.7201(2) 0.6521(3) -0.1078(2) 0.0254(11) Uani 1 1 d . . .
H29A H 0.6999 0.6566 -0.1478 0.030 Uiso 1 1 calc R . .
C32 C 0.2097(2) 0.2264(3) -0.4127(2) 0.0215(10) Uani 1 1 d . . .
C33 C 0.2979(2) 0.0843(3) -0.4953(2) 0.0230(10) Uani 1 1 d . . .
H33A H 0.3202 0.0888 -0.4554 0.028 Uiso 1 1 calc R . .
C36 C 0.5336(2) 0.4264(3) -0.03333(19) 0.0193(9) Uani 1 1 d . . .
C37 C 0.0260(2) 0.3353(3) -0.5004(2) 0.0274(11) Uani 1 1 d . . .
H37A H 0.0434 0.3306 -0.4604 0.033 Uiso 1 1 calc R . .
C38 C -0.0331(2) 0.3753(3) -0.5306(2) 0.0313(12) Uani 1 1 d . . .
H38A H -0.0554 0.3971 -0.5102 0.038 Uiso 1 1 calc R . .
C39 C 0.2433(2) 0.2371(3) -0.3490(2) 0.0236(10) Uani 1 1 d . . .
C40 C 0.6825(2) 0.5518(3) 0.0066(2) 0.0204(10) Uani 1 1 d . . .
C41 C 0.7155(2) 0.6015(3) -0.0225(2) 0.0220(10) Uani 1 1 d . . .
C42 C 0.6803(2) 0.5022(3) 0.0879(2) 0.0227(10) Uani 1 1 d . . .
C43 C 0.6791(3) 0.4559(4) 0.1810(2) 0.0347(13) Uani 1 1 d . . .
H43A H 0.6350 0.4384 0.1609 0.042 Uiso 1 1 calc R . .
C44 C 0.2054(2) 0.1721(3) -0.4949(2) 0.0208(10) Uani 1 1 d . . .
C45 C -0.0266(2) 0.3545(3) -0.6161(2) 0.0281(11) Uani 1 1 d . . .
H45A H -0.0438 0.3623 -0.6559 0.034 Uiso 1 1 calc R . .
C46 C 0.8074(3) 0.5049(3) 0.2425(2) 0.0351(13) Uani 1 1 d . . .
H46A H 0.8515 0.5216 0.2634 0.042 Uiso 1 1 calc R . .
C47 C 0.2359(2) 0.1214(3) -0.5256(2) 0.0207(10) Uani 1 1 d . . .
C48 C 0.3256(2) 0.0404(3) -0.5262(2) 0.0241(10) Uani 1 1 d . . .
H48A H 0.3676 0.0169 -0.5059 0.029 Uiso 1 1 calc R . .
C49 C 0.2038(2) 0.1099(3) -0.5850(2) 0.0250(10) Uani 1 1 d . . .
H49A H 0.1618 0.1325 -0.6066 0.030 Uiso 1 1 calc R . .
C50 C 0.7124(2) 0.4915(3) 0.1517(2) 0.0245(10) Uani 1 1 d . . .
C51 C 0.8079(3) 0.6798(3) -0.0210(2) 0.0293(11) Uani 1 1 d . . .
H51A H 0.8493 0.7043 0.0001 0.035 Uiso 1 1 calc R . .
C52 C 0.6865(2) 0.6100(3) -0.0817(2) 0.0224(10) Uani 1 1 d . . .
H52A H 0.6446 0.5875 -0.1038 0.027 Uiso 1 1 calc R . .
C53 C 0.5024(2) 0.4271(3) -0.0930(2) 0.0285(11) Uani 1 1 d . . .
H53A H 0.5206 0.4563 -0.1140 0.034 Uiso 1 1 calc R . .
C54 C 0.4436(2) 0.3835(3) -0.1210(2) 0.0297(11) Uani 1 1 d . . .
H54A H 0.4237 0.3827 -0.1612 0.036 Uiso 1 1 calc R . .
C55 C 0.7119(3) 0.4466(4) 0.2404(2) 0.0380(14) Uani 1 1 d . . .
H55A H 0.6890 0.4227 0.2596 0.046 Uiso 1 1 calc R . .
C56 C 0.2155(3) 0.2886(3) -0.3222(2) 0.0324(12) Uani 1 1 d . . .
H56A H 0.1770 0.3183 -0.3439 0.039 Uiso 1 1 calc R . .
C57 C 0.2458(3) 0.2952(4) -0.2628(2) 0.0361(13) Uani 1 1 d . . .
H57A H 0.2269 0.3302 -0.2453 0.043 Uiso 1 1 calc R . .
C58 C 0.3023(3) 0.1978(3) -0.3151(2) 0.0319(12) Uani 1 1 d . . .
H58A H 0.3241 0.1658 -0.3318 0.038 Uiso 1 1 calc R . .
C59 C 0.7783(3) 0.5167(3) 0.1833(2) 0.0323(12) Uani 1 1 d . . .
H59A H 0.8022 0.5409 0.1651 0.039 Uiso 1 1 calc R . .
C60 C 0.3284(3) 0.2072(4) -0.2559(2) 0.0402(14) Uani 1 1 d . . .
H60A H 0.3676 0.1792 -0.2333 0.048 Uiso 1 1 calc R . .
N1 N -0.06078(19) 0.3846(3) -0.58827(18) 0.0264(9) Uani 1 1 d . . .
N2 N 0.29547(19) 0.0302(2) -0.58330(17) 0.0236(9) Uani 1 1 d . . .
N3 N 0.3008(2) 0.2539(3) -0.22911(18) 0.0339(11) Uani 1 1 d . . .
N4 N 0.15295(19) 0.2680(2) -0.44090(17) 0.0233(9) Uani 1 1 d . . .
N5 N 0.14800(19) 0.2109(2) -0.52763(17) 0.0220(8) Uani 1 1 d . . .
N6 N 0.23813(19) 0.1776(2) -0.43735(17) 0.0230(9) Uani 1 1 d . . .
N7 N 0.4135(2) 0.3423(3) -0.09317(18) 0.0265(9) Uani 1 1 d . . .
N8 N 0.7802(2) 0.6868(2) -0.07857(18) 0.0251(9) Uani 1 1 d . . .
N9 N 0.7758(2) 0.4710(3) 0.27145(18) 0.0341(10) Uani 1 1 d . . .
N10 N 0.62287(19) 0.4624(2) 0.05853(17) 0.0237(9) Uani 1 1 d . . .
N11 N 0.62625(18) 0.5115(2) -0.02705(17) 0.0210(8) Uani 1 1 d . . .
N12 N 0.71152(19) 0.5495(2) 0.06460(17) 0.0246(9) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O1 1.689(5) 2_655 ?
Mo1 O1 1.689(5) . ?
Mo1 O2 1.898(4) 2_655 ?
Mo1 O2 1.898(4) . ?
Mo2 O3 1.703(4) . ?
Mo2 O4 1.680(4) . ?
Mo2 O5 1.952(4) . ?
Mo2 O2 1.934(4) . ?
Mo2 O7 2.300(4) 2_655 ?
Mo2 O6 2.388(4) . ?
Mo3 O10 1.709(4) . ?
Mo3 O11 1.702(4) . ?
Mo3 O5 1.872(4) . ?
Mo3 O12 1.979(4) . ?
Mo3 O9 2.301(4) 2_655 ?
Mo3 O6 2.371(4) . ?
Mo4 O13 1.708(6) . ?
Mo4 O13 1.708(6) 2_655 ?
Mo4 O12 1.816(4) 2_655 ?
Mo4 O12 1.816(4) . ?
Mo5 O8 1.692(4) . ?
Mo5 O9 1.779(4) . ?
Mo5 O7 1.795(4) . ?
Mo5 O6 1.784(4) . ?
O7 Mo2 2.300(4) 2_655 ?
O9 Mo3 2.301(4) 2_655 ?
Ag1 N1 2.256(4) 3_545 ?
Ag1 N2 2.302(4) . ?
Ag1 N9 2.287(4) 3_444 ?
Ag2 N8 2.260(4) 3_445 ?
Ag2 N7 2.337(4) . ?
Ag2 N3 2.302(4) . ?
C17 N4 1.338(6) . ?
C17 N5 1.329(6) . ?
C17 C25 1.491(6) . ?
C18 C45 1.386(7) . ?
C18 C25 1.375(7) . ?
C21 N7 1.344(6) . ?
C21 C27 1.380(7) . ?
C23 N10 1.346(6) . ?
C23 N11 1.321(6) . ?
C23 C36 1.494(6) . ?
C24 C51 1.395(7) . ?
C24 C41 1.400(7) . ?
C25 C37 1.392(7) . ?
C26 N2 1.338(6) . ?
C26 C49 1.378(7) . ?
C27 C36 1.392(7) . ?
C29 N8 1.341(6) . ?
C29 C52 1.379(7) . ?
C32 N6 1.333(6) . ?
C32 N4 1.336(6) . ?
C32 C39 1.485(7) . ?
C33 C48 1.392(7) . ?
C33 C47 1.391(7) . ?
C36 C53 1.383(7) . ?
C37 C38 1.368(7) . ?
C38 N1 1.343(6) . ?
C39 C58 1.379(7) . ?
C39 C56 1.387(7) . ?
C40 N11 1.344(6) . ?
C40 N12 1.343(6) . ?
C40 C41 1.490(6) . ?
C41 C52 1.376(7) . ?
C42 N10 1.335(6) . ?
C42 N12 1.336(6) . ?
C42 C50 1.488(7) . ?
C43 C55 1.386(7) . ?
C43 C50 1.384(7) . ?
C44 N6 1.339(6) . ?
C44 N5 1.344(6) . ?
C44 C47 1.489(6) . ?
C45 N1 1.336(6) . ?
C46 N9 1.336(7) . ?
C46 C59 1.385(8) . ?
C47 C49 1.390(7) . ?
C48 N2 1.333(6) . ?
C50 C59 1.390(7) . ?
C51 N8 1.339(7) . ?
C53 C54 1.384(7) . ?
C54 N7 1.346(6) . ?
C55 N9 1.351(7) . ?
C56 C57 1.380(7) . ?
C57 N3 1.336(7) . ?
C58 C60 1.382(8) . ?
C60 N3 1.338(7) . ?
N1 Ag1 2.256(4) 3_455 ?
N8 Ag2 2.260(4) 3 ?
N9 Ag1 2.287(4) 3_556 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mo1 O1 106.8(3) 2_655 . ?
O1 Mo1 O2 105.4(2) 2_655 2_655 ?
O1 Mo1 O2 103.0(2) . 2_655 ?
O1 Mo1 O2 103.0(2) 2_655 . ?
O1 Mo1 O2 105.4(2) . . ?
O2 Mo1 O2 131.4(2) 2_655 . ?
O3 Mo2 O4 103.7(2) . . ?
O3 Mo2 O5 98.96(18) . . ?
O4 Mo2 O5 97.93(19) . . ?
O3 Mo2 O2 97.32(19) . . ?
O4 Mo2 O2 103.1(2) . . ?
O5 Mo2 O2 149.42(16) . . ?
O3 Mo2 O7 165.15(18) . 2_655 ?
O4 Mo2 O7 90.66(16) . 2_655 ?
O5 Mo2 O7 82.61(15) . 2_655 ?
O2 Mo2 O7 75.29(15) . 2_655 ?
O3 Mo2 O6 92.47(18) . . ?
O4 Mo2 O6 162.45(18) . . ?
O5 Mo2 O6 72.39(14) . . ?
O2 Mo2 O6 81.22(15) . . ?
O7 Mo2 O6 73.83(15) 2_655 . ?
O10 Mo3 O11 103.6(2) . . ?
O10 Mo3 O5 100.31(18) . . ?
O11 Mo3 O5 102.25(18) . . ?
O10 Mo3 O12 100.20(19) . . ?
O11 Mo3 O12 93.12(18) . . ?
O5 Mo3 O12 150.60(16) . . ?
O10 Mo3 O9 90.68(18) . 2_655 ?
O11 Mo3 O9 164.00(17) . 2_655 ?
O5 Mo3 O9 81.91(16) . 2_655 ?
O12 Mo3 O9 77.01(15) . 2_655 ?
O10 Mo3 O6 166.17(18) . . ?
O11 Mo3 O6 90.04(18) . . ?
O5 Mo3 O6 74.08(15) . . ?
O12 Mo3 O6 81.09(15) . . ?
O9 Mo3 O6 76.12(15) 2_655 . ?
O13 Mo4 O13 105.6(6) . 2_655 ?
O13 Mo4 O12 105.5(2) . 2_655 ?
O13 Mo4 O12 107.8(3) 2_655 2_655 ?
O13 Mo4 O12 107.8(3) . . ?
O13 Mo4 O12 105.5(2) 2_655 . ?
O12 Mo4 O12 123.4(2) 2_655 . ?
O8 Mo5 O9 105.6(2) . . ?
O8 Mo5 O7 107.70(18) . . ?
O9 Mo5 O7 110.14(18) . . ?
O8 Mo5 O6 111.7(2) . . ?
O9 Mo5 O6 110.57(19) . . ?
O7 Mo5 O6 111.00(19) . . ?
Mo1 O2 Mo2 125.0(2) . . ?
Mo3 O5 Mo2 121.30(19) . . ?
Mo5 O6 Mo2 129.5(2) . . ?
Mo5 O6 Mo3 141.0(2) . . ?
Mo2 O6 Mo3 88.94(13) . . ?
Mo5 O7 Mo2 128.7(2) . 2_655 ?
Mo5 O9 Mo3 127.6(2) . 2_655 ?
Mo4 O12 Mo3 136.8(2) . . ?
N1 Ag1 N2 123.72(15) 3_545 . ?
N1 Ag1 N9 129.27(16) 3_545 3_444 ?
N2 Ag1 N9 106.96(15) . 3_444 ?
N8 Ag2 N7 122.62(15) 3_445 . ?
N8 Ag2 N3 135.23(16) 3_445 . ?
N7 Ag2 N3 102.12(15) . . ?
N4 C17 N5 125.5(4) . . ?
N4 C17 C25 115.7(4) . . ?
N5 C17 C25 118.9(4) . . ?
C45 C18 C25 118.8(4) . . ?
N7 C21 C27 123.8(4) . . ?
N10 C23 N11 125.1(4) . . ?
N10 C23 C36 116.0(4) . . ?
N11 C23 C36 118.9(4) . . ?
C51 C24 C41 118.2(5) . . ?
C37 C25 C18 118.3(4) . . ?
C37 C25 C17 119.9(4) . . ?
C18 C25 C17 121.8(4) . . ?
N2 C26 C49 123.7(5) . . ?
C21 C27 C36 118.5(4) . . ?
N8 C29 C52 123.5(5) . . ?
N6 C32 N4 125.0(4) . . ?
N6 C32 C39 118.5(4) . . ?
N4 C32 C39 116.5(4) . . ?
C48 C33 C47 118.5(4) . . ?
C27 C36 C53 118.7(4) . . ?
C27 C36 C23 118.5(4) . . ?
C53 C36 C23 122.7(4) . . ?
C38 C37 C25 119.0(5) . . ?
C37 C38 N1 123.5(4) . . ?
C58 C39 C56 118.2(5) . . ?
C58 C39 C32 122.0(4) . . ?
C56 C39 C32 119.9(4) . . ?
N11 C40 N12 124.7(4) . . ?
N11 C40 C41 117.6(4) . . ?
N12 C40 C41 117.7(4) . . ?
C24 C41 C52 118.3(4) . . ?
C24 C41 C40 121.0(4) . . ?
C52 C41 C40 120.7(4) . . ?
N10 C42 N12 125.4(4) . . ?
N10 C42 C50 116.9(4) . . ?
N12 C42 C50 117.7(4) . . ?
C55 C43 C50 119.4(5) . . ?
N6 C44 N5 125.1(4) . . ?
N6 C44 C47 117.8(4) . . ?
N5 C44 C47 117.1(4) . . ?
N1 C45 C18 123.6(5) . . ?
N9 C46 C59 124.0(5) . . ?
C33 C47 C49 118.0(4) . . ?
C33 C47 C44 120.6(4) . . ?
C49 C47 C44 121.3(4) . . ?
C33 C48 N2 123.7(4) . . ?
C26 C49 C47 119.0(4) . . ?
C59 C50 C43 118.4(5) . . ?
C59 C50 C42 119.5(4) . . ?
C43 C50 C42 122.0(4) . . ?
C24 C51 N8 123.5(5) . . ?
C29 C52 C41 119.5(4) . . ?
C36 C53 C54 118.7(5) . . ?
N7 C54 C53 123.5(5) . . ?
N9 C55 C43 122.6(5) . . ?
C57 C56 C39 119.1(5) . . ?
C56 C57 N3 123.4(5) . . ?
C60 C58 C39 118.5(5) . . ?
C46 C59 C50 118.4(5) . . ?
N3 C60 C58 124.0(5) . . ?
C45 N1 C38 116.8(4) . . ?
C45 N1 Ag1 123.2(3) . 3_455 ?
C38 N1 Ag1 119.8(3) . 3_455 ?
C26 N2 C48 117.0(4) . . ?
C26 N2 Ag1 120.8(3) . . ?
C48 N2 Ag1 122.1(3) . . ?
C60 N3 C57 116.6(5) . . ?
C60 N3 Ag2 127.8(4) . . ?
C57 N3 Ag2 114.4(3) . . ?
C17 N4 C32 115.0(4) . . ?
C17 N5 C44 114.5(4) . . ?
C32 N6 C44 115.0(4) . . ?
C54 N7 C21 116.7(4) . . ?
C54 N7 Ag2 127.7(3) . . ?
C21 N7 Ag2 115.0(3) . . ?
C29 N8 C51 117.1(4) . . ?
C29 N8 Ag2 115.7(3) . 3 ?
C51 N8 Ag2 127.2(3) . 3 ?
C55 N9 C46 117.2(4) . . ?
C55 N9 Ag1 130.4(4) . 3_556 ?
C46 N9 Ag1 112.3(3) . 3_556 ?
C23 N10 C42 114.7(4) . . ?
C40 N11 C23 115.3(4) . . ?
C42 N12 C40 114.6(4) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.479
_refine_diff_density_min         -1.499
_refine_diff_density_rms         0.122
_database_code_depnum_ccdc_archive 'CCDC 976111'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_210K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0780(7)
_cell_length_b                   16.3817(4)
_cell_length_c                   25.6311(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.334(4)
_cell_angle_gamma                90.00
_cell_volume                     8378.6(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    210.00(10)
_cell_measurement_reflns_used    17351
_cell_measurement_theta_min      3.2080
_cell_measurement_theta_max      29.3160

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.159
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.75227
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      210.00(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19354
_diffrn_reflns_av_R_equivalents  0.0269
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7187
_reflns_number_gt                6351
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0864P)²+231.2010P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7187
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0310
_refine_ls_wR_factor_ref         0.0934
_refine_ls_wR_factor_gt          0.0847
_refine_ls_goodness_of_fit_ref   0.601
_refine_ls_restrained_S_all      0.601
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.5000 0.09492(4) -0.7500 0.03032(16) Uani 1 2 d S . .
Mo2 Mo 0.48943(2) 0.20842(2) -0.643679(16) 0.01972(11) Uani 1 1 d . . .
Mo3 Mo 0.498577(19) 0.41157(2) -0.639532(16) 0.01892(10) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.53920(4) -0.7500 0.03537(17) Uani 1 2 d S . .
Mo5 Mo 0.408433(19) 0.30664(2) -0.791209(17) 0.01837(11) Uani 1 1 d . . .
O1 O 0.5621(3) 0.6015(4) -0.7053(3) 0.096(2) Uani 1 1 d . . .
O2 O 0.46500(18) 0.4862(2) -0.70684(15) 0.0318(8) Uani 1 1 d . . .
O3 O 0.55202(19) 0.4753(2) -0.58721(16) 0.0371(9) Uani 1 1 d . . .
O4 O 0.42607(19) 0.4166(2) -0.63105(17) 0.0357(9) Uani 1 1 d . . .
O5 O 0.53311(18) 0.3096(2) -0.60667(15) 0.0289(8) Uani 1 1 d . . .
O6 O 0.4484(2) 0.3144(2) -0.71423(16) 0.0380(9) Uani 1 1 d . . .
O7 O 0.4246(2) 0.3959(2) -0.82279(17) 0.0372(9) Uani 1 1 d . . .
O8 O 0.32383(18) 0.3008(2) -0.81604(18) 0.0380(9) Uani 1 1 d . . .
O9 O 0.43604(18) 0.2173(2) -0.81507(16) 0.0323(8) Uani 1 1 d . . .
O10 O 0.42093(19) 0.2128(2) -0.62940(18) 0.0389(9) Uani 1 1 d . . .
O11 O 0.54071(19) 0.1426(2) -0.59394(17) 0.0378(9) Uani 1 1 d . . .
O12 O 0.45068(18) 0.1411(2) -0.71217(16) 0.0326(8) Uani 1 1 d . . .
O13 O 0.5570(2) 0.0331(3) -0.70018(18) 0.0468(10) Uani 1 1 d . . .
Ag1 Ag 0.344121(18) 0.54225(2) -0.632072(15) 0.02783(11) Uani 1 1 d . . .
Ag2 Ag 0.32288(2) 0.24792(3) -0.132722(16) 0.03129(11) Uani 1 1 d . . .
C16 C 0.1241(2) 0.2430(3) -0.49752(19) 0.0169(9) Uani 1 1 d . . .
C18 C 0.2351(2) 0.4353(3) -0.6114(2) 0.0230(10) Uani 1 1 d . . .
H18A H 0.2128 0.4425 -0.6512 0.028 Uiso 1 1 calc R . .
C19 C 0.0331(2) 0.1873(3) -0.5890(2) 0.0237(10) Uani 1 1 d . . .
H19A H 0.0548 0.2080 -0.6102 0.028 Uiso 1 1 calc R . .
C21 C 0.7198(2) -0.1521(3) -0.1079(2) 0.0211(9) Uani 1 1 d . . .
H21A H 0.6996 -0.1570 -0.1479 0.025 Uiso 1 1 calc R . .
C23 C 0.0600(2) 0.1980(3) -0.52976(19) 0.0178(9) Uani 1 1 d . . .
C26 C 0.5978(2) 0.0302(3) 0.00107(19) 0.0177(9) Uani 1 1 d . . .
C27 C 0.7784(2) -0.1379(3) 0.0096(2) 0.0239(10) Uani 1 1 d . . .
H27A H 0.7995 -0.1343 0.0496 0.029 Uiso 1 1 calc R . .
C29 C 0.4440(2) 0.1568(3) -0.0349(2) 0.0226(10) Uani 1 1 d . . .
H29A H 0.4239 0.1844 -0.0148 0.027 Uiso 1 1 calc R . .
C32 C 0.0263(2) 0.1642(3) -0.5000(2) 0.0231(10) Uani 1 1 d . . .
H32A H 0.0437 0.1686 -0.4601 0.028 Uiso 1 1 calc R . .
C33 C 0.2980(2) 0.4157(3) -0.4951(2) 0.0198(9) Uani 1 1 d . . .
H33A H 0.3204 0.4114 -0.4552 0.024 Uiso 1 1 calc R . .
C35 C 0.5035(2) 0.1167(3) -0.0037(2) 0.0211(9) Uani 1 1 d . . .
H35A H 0.5234 0.1183 0.0365 0.025 Uiso 1 1 calc R . .
C36 C 0.2435(2) 0.2625(3) -0.34862(19) 0.0209(9) Uani 1 1 d . . .
C37 C 0.2097(2) 0.2730(3) -0.41234(19) 0.0183(9) Uani 1 1 d . . .
C38 C 0.5332(2) 0.0739(3) -0.03311(19) 0.0178(9) Uani 1 1 d . . .
C39 C 0.2054(2) 0.3276(3) -0.49479(19) 0.0180(9) Uani 1 1 d . . .
C40 C -0.0330(2) 0.1244(3) -0.5304(2) 0.0261(11) Uani 1 1 d . . .
H40A H -0.0553 0.1026 -0.5099 0.031 Uiso 1 1 calc R . .
C41 C 0.6825(2) -0.0519(3) 0.00698(19) 0.0178(9) Uani 1 1 d . . .
C42 C 0.6788(3) 0.0447(3) 0.1810(2) 0.0293(11) Uani 1 1 d . . .
H42A H 0.6349 0.0629 0.1610 0.035 Uiso 1 1 calc R . .
C43 C 0.7158(2) -0.1014(3) -0.0220(2) 0.0185(9) Uani 1 1 d . . .
C44 C 0.6802(2) -0.0019(3) 0.08838(19) 0.0209(9) Uani 1 1 d . . .
C45 C 0.3260(2) 0.4594(3) -0.5259(2) 0.0214(10) Uani 1 1 d . . .
H45A H 0.3680 0.4829 -0.5056 0.026 Uiso 1 1 calc R . .
C46 C 0.8075(3) -0.0051(3) 0.2428(2) 0.0312(11) Uani 1 1 d . . .
H46A H 0.8516 -0.0219 0.2636 0.037 Uiso 1 1 calc R . .
C47 C 0.2360(2) 0.3787(3) -0.5252(2) 0.0180(9) Uani 1 1 d . . .
C48 C 0.2040(2) 0.3899(3) -0.5847(2) 0.0219(10) Uani 1 1 d . . .
H48A H 0.1620 0.3670 -0.6062 0.026 Uiso 1 1 calc R . .
C49 C -0.0266(2) 0.1451(3) -0.6159(2) 0.0258(10) Uani 1 1 d . . .
H49A H -0.0438 0.1372 -0.6556 0.031 Uiso 1 1 calc R . .
C50 C 0.7123(2) 0.0081(3) 0.1518(2) 0.0224(10) Uani 1 1 d . . .
C51 C 0.8080(2) -0.1794(3) -0.0206(2) 0.0258(10) Uani 1 1 d . . .
H51A H 0.8495 -0.2037 0.0003 0.031 Uiso 1 1 calc R . .
C52 C 0.7120(3) 0.0535(4) 0.2407(2) 0.0323(12) Uani 1 1 d . . .
H52A H 0.6891 0.0772 0.2600 0.039 Uiso 1 1 calc R . .
C53 C 0.3022(3) 0.3025(3) -0.3150(2) 0.0277(11) Uani 1 1 d . . .
H53A H 0.3237 0.3351 -0.3316 0.033 Uiso 1 1 calc R . .
C54 C 0.5025(2) 0.0732(3) -0.0929(2) 0.0228(10) Uani 1 1 d . . .
H54A H 0.5210 0.0443 -0.1139 0.027 Uiso 1 1 calc R . .
C55 C 0.4435(2) 0.1167(3) -0.1207(2) 0.0261(10) Uani 1 1 d . . .
H55A H 0.4235 0.1173 -0.1608 0.031 Uiso 1 1 calc R . .
C56 C 0.2457(3) 0.2046(3) -0.2625(2) 0.0312(12) Uani 1 1 d . . .
H56A H 0.2269 0.1697 -0.2448 0.037 Uiso 1 1 calc R . .
C57 C 0.2153(3) 0.2106(3) -0.3221(2) 0.0277(11) Uani 1 1 d . . .
H57A H 0.1769 0.1806 -0.3439 0.033 Uiso 1 1 calc R . .
C58 C 0.3284(3) 0.2929(4) -0.2556(2) 0.0360(13) Uani 1 1 d . . .
H58A H 0.3677 0.3206 -0.2331 0.043 Uiso 1 1 calc R . .
C59 C 0.6860(2) -0.1093(3) -0.0816(2) 0.0201(9) Uani 1 1 d . . .
H59A H 0.6442 -0.0863 -0.1036 0.024 Uiso 1 1 calc R . .
C60 C 0.7784(2) -0.0168(3) 0.1835(2) 0.0273(11) Uani 1 1 d . . .
H60A H 0.8024 -0.0408 0.1653 0.033 Uiso 1 1 calc R . .
N1 N -0.06082(19) 0.1151(2) -0.58783(17) 0.0232(8) Uani 1 1 d . . .
N2 N 0.29562(19) 0.4696(2) -0.58332(16) 0.0197(8) Uani 1 1 d . . .
N3 N 0.3008(2) 0.2465(3) -0.22876(18) 0.0296(10) Uani 1 1 d . . .
N4 N 0.14809(18) 0.2892(2) -0.52741(16) 0.0192(8) Uani 1 1 d . . .
N5 N 0.23827(19) 0.3224(2) -0.43709(16) 0.0193(8) Uani 1 1 d . . .
N6 N 0.15301(19) 0.2320(2) -0.44062(16) 0.0202(8) Uani 1 1 d . . .
N7 N 0.41343(19) 0.1584(2) -0.09275(17) 0.0234(8) Uani 1 1 d . . .
N8 N 0.7802(2) -0.1868(2) -0.07855(17) 0.0219(8) Uani 1 1 d . . .
N9 N 0.7760(2) 0.0291(3) 0.27182(18) 0.0294(9) Uani 1 1 d . . .
N10 N 0.62631(18) -0.0115(2) -0.02701(16) 0.0188(8) Uani 1 1 d . . .
N11 N 0.71121(19) -0.0496(2) 0.06458(17) 0.0227(8) Uani 1 1 d . . .
N12 N 0.62279(19) 0.0374(2) 0.05894(16) 0.0201(8) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O13 1.692(4) 2_653 ?
Mo1 O13 1.692(4) . ?
Mo1 O12 1.898(4) 2_653 ?
Mo1 O12 1.898(4) . ?
Mo2 O11 1.683(4) . ?
Mo2 O10 1.703(4) . ?
Mo2 O12 1.935(4) . ?
Mo2 O5 1.948(4) . ?
Mo2 O9 2.310(3) 2_653 ?
Mo2 O6 2.388(4) . ?
Mo3 O3 1.711(4) . ?
Mo3 O4 1.707(4) . ?
Mo3 O5 1.879(3) . ?
Mo3 O2 1.981(4) . ?
Mo3 O7 2.297(4) 2_653 ?
Mo3 O6 2.369(4) . ?
Mo4 O1 1.700(5) . ?
Mo4 O1 1.700(5) 2_653 ?
Mo4 O2 1.818(4) 2_653 ?
Mo4 O2 1.818(4) . ?
Mo5 O8 1.699(4) . ?
Mo5 O7 1.779(4) . ?
Mo5 O9 1.791(4) . ?
Mo5 O6 1.788(4) . ?
O7 Mo3 2.297(4) 2_653 ?
O9 Mo2 2.310(3) 2_653 ?
Ag1 N1 2.253(4) 3 ?
Ag1 N9 2.282(4) 3_454 ?
Ag1 N2 2.296(4) . ?
Ag2 N8 2.253(4) 3_455 ?
Ag2 N3 2.296(4) . ?
Ag2 N7 2.333(4) . ?
C16 N4 1.338(6) . ?
C16 N6 1.331(6) . ?
C16 C23 1.492(6) . ?
C18 N2 1.341(6) . ?
C18 C48 1.377(7) . ?
C19 C23 1.384(7) . ?
C19 C49 1.383(7) . ?
C21 N8 1.345(6) . ?
C21 C59 1.391(6) . ?
C23 C32 1.388(6) . ?
C26 N12 1.348(6) . ?
C26 N10 1.330(6) . ?
C26 C38 1.498(6) . ?
C27 C51 1.386(7) . ?
C27 C43 1.403(7) . ?
C29 N7 1.340(6) . ?
C29 C35 1.379(7) . ?
C32 C40 1.369(7) . ?
C33 C45 1.391(6) . ?
C33 C47 1.390(6) . ?
C35 C38 1.383(6) . ?
C36 C53 1.378(7) . ?
C36 C57 1.391(7) . ?
C36 C37 1.487(6) . ?
C37 N5 1.340(6) . ?
C37 N6 1.330(6) . ?
C38 C54 1.386(6) . ?
C39 N5 1.343(6) . ?
C39 N4 1.337(6) . ?
C39 C47 1.490(6) . ?
C40 N1 1.340(6) . ?
C41 N11 1.335(6) . ?
C41 N10 1.346(6) . ?
C41 C43 1.489(6) . ?
C42 C52 1.392(7) . ?
C42 C50 1.392(7) . ?
C43 C59 1.386(6) . ?
C44 N12 1.331(6) . ?
C44 N11 1.345(6) . ?
C44 C50 1.479(6) . ?
C45 N2 1.340(6) . ?
C46 C60 1.387(7) . ?
C46 N9 1.340(7) . ?
C47 C48 1.392(7) . ?
C49 N1 1.342(6) . ?
C50 C60 1.394(7) . ?
C51 N8 1.347(6) . ?
C52 N9 1.352(7) . ?
C53 C58 1.386(7) . ?
C54 C55 1.385(7) . ?
C55 N7 1.352(6) . ?
C56 N3 1.341(7) . ?
C56 C57 1.386(7) . ?
C58 N3 1.335(7) . ?
N1 Ag1 2.253(4) 3_445 ?
N8 Ag2 2.253(4) 3_545 ?
N9 Ag1 2.282(4) 3_546 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O13 Mo1 O13 106.5(3) 2_653 . ?
O13 Mo1 O12 104.89(19) 2_653 2_653 ?
O13 Mo1 O12 102.74(19) . 2_653 ?
O13 Mo1 O12 102.74(19) 2_653 . ?
O13 Mo1 O12 104.89(19) . . ?
O12 Mo1 O12 133.0(2) 2_653 . ?
O11 Mo2 O10 103.62(19) . . ?
O11 Mo2 O12 102.44(18) . . ?
O10 Mo2 O12 97.49(17) . . ?
O11 Mo2 O5 98.25(18) . . ?
O10 Mo2 O5 99.19(17) . . ?
O12 Mo2 O5 149.45(15) . . ?
O11 Mo2 O9 90.39(16) . 2_653 ?
O10 Mo2 O9 165.43(17) . 2_653 ?
O12 Mo2 O9 75.26(14) . 2_653 ?
O5 Mo2 O9 82.43(14) . 2_653 ?
O11 Mo2 O6 162.39(17) . . ?
O10 Mo2 O6 92.78(18) . . ?
O12 Mo2 O6 81.37(14) . . ?
O5 Mo2 O6 72.44(13) . . ?
O9 Mo2 O6 73.81(14) 2_653 . ?
O3 Mo3 O4 103.93(19) . . ?
O3 Mo3 O5 100.36(17) . . ?
O4 Mo3 O5 102.02(17) . . ?
O3 Mo3 O2 100.47(17) . . ?
O4 Mo3 O2 93.40(16) . . ?
O5 Mo3 O2 150.17(15) . . ?
O3 Mo3 O7 90.70(16) . 2_653 ?
O4 Mo3 O7 163.77(17) . 2_653 ?
O5 Mo3 O7 81.83(15) . 2_653 ?
O2 Mo3 O7 76.79(15) . 2_653 ?
O3 Mo3 O6 166.11(17) . . ?
O4 Mo3 O6 89.76(17) . . ?
O5 Mo3 O6 74.02(14) . . ?
O2 Mo3 O6 80.75(14) . . ?
O7 Mo3 O6 76.03(14) 2_653 . ?
O1 Mo4 O1 106.2(6) . 2_653 ?
O1 Mo4 O2 105.4(2) . 2_653 ?
O1 Mo4 O2 107.9(2) 2_653 2_653 ?
O1 Mo4 O2 107.9(2) . . ?
O1 Mo4 O2 105.4(2) 2_653 . ?
O2 Mo4 O2 122.9(2) 2_653 . ?
O8 Mo5 O7 106.15(19) . . ?
O8 Mo5 O9 107.84(17) . . ?
O7 Mo5 O9 110.63(17) . . ?
O8 Mo5 O6 111.2(2) . . ?
O7 Mo5 O6 110.05(18) . . ?
O9 Mo5 O6 110.82(18) . . ?
Mo4 O2 Mo3 136.6(2) . . ?
Mo3 O5 Mo2 121.11(18) . . ?
Mo5 O6 Mo3 141.18(19) . . ?
Mo5 O6 Mo2 129.19(18) . . ?
Mo3 O6 Mo2 88.96(12) . . ?
Mo5 O7 Mo3 127.67(19) . 2_653 ?
Mo5 O9 Mo2 128.37(18) . 2_653 ?
Mo1 O12 Mo2 124.27(19) . . ?
N1 Ag1 N9 129.45(15) 3 3_454 ?
N1 Ag1 N2 123.47(14) 3 . ?
N9 Ag1 N2 107.03(15) 3_454 . ?
N8 Ag2 N3 135.43(15) 3_455 . ?
N8 Ag2 N7 122.22(14) 3_455 . ?
N3 Ag2 N7 102.33(15) . . ?
N4 C16 N6 125.6(4) . . ?
N4 C16 C23 118.5(4) . . ?
N6 C16 C23 115.9(4) . . ?
N2 C18 C48 123.6(4) . . ?
C23 C19 C49 118.8(4) . . ?
N8 C21 C59 123.5(4) . . ?
C19 C23 C32 118.2(4) . . ?
C19 C23 C16 122.0(4) . . ?
C32 C23 C16 119.8(4) . . ?
N12 C26 N10 125.1(4) . . ?
N12 C26 C38 116.1(4) . . ?
N10 C26 C38 118.8(4) . . ?
C51 C27 C43 118.1(4) . . ?
N7 C29 C35 123.8(4) . . ?
C40 C32 C23 119.0(4) . . ?
C45 C33 C47 118.7(4) . . ?
C29 C35 C38 118.7(4) . . ?
C53 C36 C57 118.9(4) . . ?
C53 C36 C37 121.9(4) . . ?
C57 C36 C37 119.2(4) . . ?
N5 C37 N6 124.8(4) . . ?
N5 C37 C36 118.3(4) . . ?
N6 C37 C36 116.9(4) . . ?
C35 C38 C54 119.1(4) . . ?
C35 C38 C26 118.5(4) . . ?
C54 C38 C26 122.4(4) . . ?
N5 C39 N4 125.5(4) . . ?
N5 C39 C47 117.3(4) . . ?
N4 C39 C47 117.2(4) . . ?
N1 C40 C32 123.8(4) . . ?
N11 C41 N10 124.9(4) . . ?
N11 C41 C43 117.7(4) . . ?
N10 C41 C43 117.4(4) . . ?
C52 C42 C50 119.0(5) . . ?
C59 C43 C27 118.8(4) . . ?
C59 C43 C41 119.9(4) . . ?
C27 C43 C41 121.3(4) . . ?
N12 C44 N11 124.7(4) . . ?
N12 C44 C50 117.5(4) . . ?
N11 C44 C50 117.8(4) . . ?
N2 C45 C33 123.5(4) . . ?
C60 C46 N9 124.1(5) . . ?
C48 C47 C33 117.9(4) . . ?
C48 C47 C39 121.0(4) . . ?
C33 C47 C39 121.0(4) . . ?
C18 C48 C47 119.2(4) . . ?
N1 C49 C19 123.4(4) . . ?
C60 C50 C42 118.6(4) . . ?
C60 C50 C44 119.8(4) . . ?
C42 C50 C44 121.6(4) . . ?
N8 C51 C27 123.9(4) . . ?
N9 C52 C42 122.9(5) . . ?
C36 C53 C58 118.2(5) . . ?
C55 C54 C38 118.1(4) . . ?
N7 C55 C54 123.8(4) . . ?
N3 C56 C57 123.5(5) . . ?
C56 C57 C36 118.4(5) . . ?
N3 C58 C53 124.3(5) . . ?
C43 C59 C21 118.8(4) . . ?
C46 C60 C50 118.4(5) . . ?
C40 N1 C49 116.7(4) . . ?
C40 N1 Ag1 120.3(3) . 3_445 ?
C49 N1 Ag1 122.8(3) . 3_445 ?
C45 N2 C18 116.9(4) . . ?
C45 N2 Ag1 122.1(3) . . ?
C18 N2 Ag1 121.0(3) . . ?
C58 N3 C56 116.6(4) . . ?
C58 N3 Ag2 127.8(4) . . ?
C56 N3 Ag2 114.4(3) . . ?
C16 N4 C39 114.1(4) . . ?
C37 N5 C39 114.7(4) . . ?
C16 N6 C37 115.3(4) . . ?
C29 N7 C55 116.5(4) . . ?
C29 N7 Ag2 115.4(3) . . ?
C55 N7 Ag2 127.4(3) . . ?
C51 N8 C21 116.9(4) . . ?
C51 N8 Ag2 127.5(3) . 3_545 ?
C21 N8 Ag2 115.6(3) . 3_545 ?
C46 N9 C52 117.1(4) . . ?
C46 N9 Ag1 112.3(3) . 3_546 ?
C52 N9 Ag1 130.5(3) . 3_546 ?
C26 N10 C41 114.9(4) . . ?
C41 N11 C44 115.2(4) . . ?
C44 N12 C26 115.0(4) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.509
_refine_diff_density_min         -1.592
_refine_diff_density_rms         0.118
_database_code_depnum_ccdc_archive 'CCDC 976112'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_A_160K

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C72 H48 Ag4 Mo8 N24 O26'
_chemical_formula_weight         2864.34

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   C2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.0984(6)
_cell_length_b                   16.3321(4)
_cell_length_c                   25.6479(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.350(4)
_cell_angle_gamma                90.00
_cell_volume                     8365.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    160.01(10)
_cell_measurement_reflns_used    18225
_cell_measurement_theta_min      3.2090
_cell_measurement_theta_max      29.4610

_exptl_crystal_description       block-like
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5520
_exptl_absorpt_coefficient_mu    2.162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.75310
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      160.01(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 10.3503
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19302
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0296
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.00
_reflns_number_total             7175
_reflns_number_gt                6417
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0839P)²+208.1413P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7175
_refine_ls_number_parameters     605
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0303
_refine_ls_wR_factor_ref         0.0916
_refine_ls_wR_factor_gt          0.0844
_refine_ls_goodness_of_fit_ref   0.630
_refine_ls_restrained_S_all      0.630
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo1 Mo 0.5000 -0.40447(4) 0.2500 0.02460(14) Uani 1 2 d S . .
Mo2 Mo 0.489173(19) -0.29178(2) 0.356255(16) 0.01585(10) Uani 1 1 d . . .
Mo3 Mo 0.498567(19) -0.08802(2) 0.360442(15) 0.01552(10) Uani 1 1 d . . .
Mo4 Mo 0.5000 0.03983(4) 0.2500 0.03033(16) Uani 1 2 d S . .
Mo5 Mo 0.408511(18) -0.19334(2) 0.208901(16) 0.01517(10) Uani 1 1 d . . .
O1 O 0.5568(2) -0.4664(2) 0.29996(17) 0.0384(9) Uani 1 1 d . . .
O2 O 0.45005(17) -0.3589(2) 0.28771(15) 0.0272(8) Uani 1 1 d . . .
O3 O 0.54074(18) -0.3576(2) 0.40598(15) 0.0306(8) Uani 1 1 d . . .
O4 O 0.42060(18) -0.2872(2) 0.37064(17) 0.0319(8) Uani 1 1 d . . .
O5 O 0.53311(17) -0.1903(2) 0.39334(14) 0.0255(8) Uani 1 1 d . . .
O6 O 0.4480(2) -0.1855(2) 0.28581(15) 0.0328(9) Uani 1 1 d . . .
O7 O 0.43685(18) -0.2830(2) 0.18549(15) 0.0278(8) Uani 1 1 d . . .
O8 O 0.42471(19) -0.1041(2) 0.17732(17) 0.0330(9) Uani 1 1 d . . .
O9 O 0.32380(17) -0.1994(2) 0.18372(17) 0.0329(9) Uani 1 1 d . . .
O10 O 0.55208(18) -0.0239(2) 0.41256(15) 0.0314(8) Uani 1 1 d . . .
O11 O 0.42615(18) -0.0831(2) 0.36916(15) 0.0301(8) Uani 1 1 d . . .
O12 O 0.46471(18) -0.0134(2) 0.29305(15) 0.0275(8) Uani 1 1 d . . .
O13 O 0.5621(3) 0.1029(4) 0.2949(3) 0.083(2) Uani 1 1 d . . .
Ag1 Ag 0.343962(17) 0.04249(2) 0.367891(15) 0.02242(10) Uani 1 1 d . . .
Ag2 Ag 0.822846(18) 0.24840(2) 0.867299(15) 0.02484(11) Uani 1 1 d . . .
C18 C 0.6240(2) 0.2429(3) 0.50258(19) 0.0141(9) Uani 1 1 d . . .
C21 C 0.7350(2) 0.4351(3) 0.38856(19) 0.0187(9) Uani 1 1 d . . .
H21A H 0.7129 0.4419 0.3488 0.022 Uiso 1 1 calc R . .
C22 C 0.5334(2) 0.1871(3) 0.41134(19) 0.0179(9) Uani 1 1 d . . .
H22A H 0.5553 0.2078 0.3902 0.021 Uiso 1 1 calc R . .
C23 C 1.2198(2) -0.1516(3) 0.89215(19) 0.0180(9) Uani 1 1 d . . .
H23A H 1.1997 -0.1561 0.8522 0.022 Uiso 1 1 calc R . .
C27 C 0.9435(2) 0.1569(3) 0.9650(2) 0.0180(9) Uani 1 1 d . . .
H27A H 0.9233 0.1846 0.9850 0.022 Uiso 1 1 calc R . .
C28 C 0.5598(2) 0.1975(3) 0.47047(19) 0.0153(9) Uani 1 1 d . . .
C30 C 1.2784(2) -0.1378(3) 1.0098(2) 0.0196(9) Uani 1 1 d . . .
H30A H 1.2993 -0.1344 1.0498 0.024 Uiso 1 1 calc R . .
C31 C 1.0975(2) 0.0304(3) 1.00139(18) 0.0147(9) Uani 1 1 d . . .
C32 C 0.5261(2) 0.1644(3) 0.50035(19) 0.0184(9) Uani 1 1 d . . .
H32A H 0.5433 0.1691 0.5403 0.022 Uiso 1 1 calc R . .
C34 C 0.7982(2) 0.4160(3) 0.50513(19) 0.0162(9) Uani 1 1 d . . .
H34A H 0.8205 0.4117 0.5451 0.019 Uiso 1 1 calc R . .
C35 C 1.0034(2) 0.1165(3) 0.99665(19) 0.0172(9) Uani 1 1 d . . .
H35A H 1.0231 0.1181 1.0368 0.021 Uiso 1 1 calc R . .
C36 C 0.7433(2) 0.2628(3) 0.65142(19) 0.0183(9) Uani 1 1 d . . .
C37 C 0.7098(2) 0.2733(3) 0.58766(19) 0.0156(9) Uani 1 1 d . . .
C38 C 1.1789(2) 0.0443(3) 1.1813(2) 0.0253(11) Uani 1 1 d . . .
H38A H 1.1349 0.0618 1.1613 0.030 Uiso 1 1 calc R . .
C39 C 1.1826(2) -0.0512(3) 1.00712(19) 0.0147(9) Uani 1 1 d . . .
C40 C 0.7055(2) 0.3276(3) 0.50523(19) 0.0158(9) Uani 1 1 d . . .
C41 C 1.3075(3) -0.0047(3) 1.2427(2) 0.0262(11) Uani 1 1 d . . .
H41A H 1.3516 -0.0213 1.2636 0.031 Uiso 1 1 calc R . .
C42 C 1.0331(2) 0.0740(3) 0.96739(18) 0.0148(9) Uani 1 1 d . . .
C43 C 1.2156(2) -0.1011(3) 0.97799(19) 0.0159(9) Uani 1 1 d . . .
C44 C 0.8261(2) 0.4596(3) 0.4742(2) 0.0171(9) Uani 1 1 d . . .
H44A H 0.8682 0.4830 0.4945 0.021 Uiso 1 1 calc R . .
C45 C 1.3081(2) -0.1794(3) 0.9796(2) 0.0204(10) Uani 1 1 d . . .
H45A H 1.3496 -0.2036 1.0005 0.024 Uiso 1 1 calc R . .
C46 C 0.4666(2) 0.1246(3) 0.4696(2) 0.0236(10) Uani 1 1 d . . .
H46A H 0.4440 0.1031 0.4899 0.028 Uiso 1 1 calc R . .
C47 C 0.4736(2) 0.1451(3) 0.3844(2) 0.0211(10) Uani 1 1 d . . .
H47A H 0.4563 0.1374 0.3447 0.025 Uiso 1 1 calc R . .
C48 C 1.1803(2) -0.0019(3) 1.08827(19) 0.0168(9) Uani 1 1 d . . .
C49 C 1.0022(2) 0.0735(3) 0.90718(19) 0.0187(9) Uani 1 1 d . . .
H49A H 1.0206 0.0445 0.8862 0.022 Uiso 1 1 calc R . .
C50 C 0.7038(2) 0.3902(3) 0.41542(19) 0.0169(9) Uani 1 1 d . . .
H50A H 0.6617 0.3677 0.3940 0.020 Uiso 1 1 calc R . .
C51 C 0.8282(3) 0.2937(3) 0.7444(2) 0.0281(11) Uani 1 1 d . . .
H51A H 0.8673 0.3218 0.7670 0.034 Uiso 1 1 calc R . .
C52 C 0.7357(2) 0.3786(3) 0.47464(19) 0.0154(9) Uani 1 1 d . . .
C53 C 0.7153(2) 0.2104(3) 0.6781(2) 0.0228(10) Uani 1 1 d . . .
H53A H 0.6772 0.1799 0.6563 0.027 Uiso 1 1 calc R . .
C54 C 0.8022(2) 0.3028(3) 0.6852(2) 0.0230(10) Uani 1 1 d . . .
H54A H 0.8239 0.3351 0.6686 0.028 Uiso 1 1 calc R . .
C55 C 1.2120(2) 0.0536(3) 1.2406(2) 0.0286(11) Uani 1 1 d . . .
H55A H 1.1892 0.0777 1.2599 0.034 Uiso 1 1 calc R . .
C56 C 1.2124(2) 0.0084(3) 1.15210(19) 0.0190(9) Uani 1 1 d . . .
C57 C 0.9435(2) 0.1173(3) 0.8795(2) 0.0217(10) Uani 1 1 d . . .
H57A H 0.9237 0.1185 0.8394 0.026 Uiso 1 1 calc R . .
C58 C 1.1861(2) -0.1091(3) 0.91845(19) 0.0164(9) Uani 1 1 d . . .
H58A H 1.1443 -0.0862 0.8965 0.020 Uiso 1 1 calc R . .
C59 C 0.7454(3) 0.2048(3) 0.7376(2) 0.0273(11) Uani 1 1 d . . .
H59A H 0.7264 0.1700 0.7551 0.033 Uiso 1 1 calc R . .
C60 C 1.2784(2) -0.0164(3) 1.1835(2) 0.0227(10) Uani 1 1 d . . .
H60A H 1.3024 -0.0402 1.1652 0.027 Uiso 1 1 calc R . .
N1 N 0.43917(19) 0.1148(2) 0.41236(16) 0.0192(8) Uani 1 1 d . . .
N2 N 0.79571(18) 0.4697(2) 0.41672(16) 0.0162(8) Uani 1 1 d . . .
N3 N 0.8006(2) 0.2468(3) 0.77150(17) 0.0243(9) Uani 1 1 d . . .
N4 N 0.64780(18) 0.2894(2) 0.47277(16) 0.0149(7) Uani 1 1 d . . .
N5 N 0.73861(18) 0.3224(2) 0.56319(16) 0.0160(8) Uani 1 1 d . . .
N6 N 0.65314(18) 0.2315(2) 0.55956(15) 0.0158(8) Uani 1 1 d . . .
N7 N 0.91320(19) 0.1582(2) 0.90741(16) 0.0184(8) Uani 1 1 d . . .
N8 N 1.28011(19) -0.1866(2) 0.92153(17) 0.0191(8) Uani 1 1 d . . .
N9 N 1.2758(2) 0.0291(3) 1.27176(17) 0.0253(9) Uani 1 1 d . . .
N10 N 1.12652(18) -0.0110(2) 0.97330(15) 0.0148(7) Uani 1 1 d . . .
N11 N 1.21121(18) -0.0494(2) 1.06478(16) 0.0175(8) Uani 1 1 d . . .
N12 N 1.12245(18) 0.0375(2) 1.05879(16) 0.0164(8) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 O1 1.692(4) 2_655 ?
Mo1 O1 1.692(4) . ?
Mo1 O2 1.903(3) 2_655 ?
Mo1 O2 1.903(3) . ?
Mo2 O3 1.684(3) . ?
Mo2 O4 1.708(3) . ?
Mo2 O2 1.934(3) . ?
Mo2 O5 1.950(3) . ?
Mo2 O7 2.311(3) 2_655 ?
Mo2 O6 2.387(3) . ?
Mo3 O11 1.710(4) . ?
Mo3 O10 1.711(4) . ?
Mo3 O5 1.880(3) . ?
Mo3 O12 1.981(3) . ?
Mo3 O8 2.300(3) 2_655 ?
Mo3 O6 2.370(4) . ?
Mo4 O13 1.708(5) . ?
Mo4 O13 1.708(5) 2_655 ?
Mo4 O12 1.822(3) 2_655 ?
Mo4 O12 1.822(3) . ?
Mo5 O9 1.702(3) . ?
Mo5 O8 1.776(4) . ?
Mo5 O7 1.794(4) . ?
Mo5 O6 1.787(3) . ?
O7 Mo2 2.311(3) 2_655 ?
O8 Mo3 2.300(3) 2_655 ?
Ag1 N1 2.251(4) . ?
Ag1 N9 2.284(4) 1_454 ?
Ag1 N2 2.294(4) 3_445 ?
Ag2 N8 2.254(4) 3_455 ?
Ag2 N3 2.290(4) . ?
Ag2 N7 2.336(4) . ?
C18 N4 1.335(6) . ?
C18 N6 1.334(6) . ?
C18 C28 1.495(6) . ?
C21 N2 1.346(6) . ?
C21 C50 1.376(6) . ?
C22 C47 1.383(7) . ?
C22 C28 1.382(6) . ?
C23 N8 1.346(6) . ?
C23 C58 1.385(6) . ?
C27 N7 1.335(6) . ?
C27 C35 1.388(6) . ?
C28 C32 1.388(6) . ?
C30 C45 1.388(6) . ?
C30 C43 1.407(6) . ?
C31 N10 1.336(6) . ?
C31 N12 1.338(6) . ?
C31 C42 1.492(6) . ?
C32 C46 1.372(7) . ?
C34 C44 1.391(6) . ?
C34 C52 1.402(6) . ?
C35 C42 1.377(6) . ?
C36 C54 1.382(7) . ?
C36 C53 1.394(7) . ?
C36 C37 1.488(6) . ?
C37 N5 1.335(6) . ?
C37 N6 1.335(6) . ?
C38 C55 1.387(7) . ?
C38 C56 1.387(7) . ?
C39 N11 1.337(6) . ?
C39 N10 1.341(6) . ?
C39 C43 1.491(6) . ?
C40 N5 1.350(6) . ?
C40 N4 1.342(6) . ?
C40 C52 1.485(6) . ?
C41 N9 1.338(7) . ?
C41 C60 1.387(7) . ?
C42 C49 1.396(6) . ?
C43 C58 1.386(6) . ?
C44 N2 1.344(6) . ?
C45 N8 1.351(6) . ?
C46 N1 1.337(6) . ?
C47 N1 1.344(6) . ?
C48 N11 1.335(6) . ?
C48 N12 1.339(6) . ?
C48 C56 1.489(6) . ?
C49 C57 1.381(6) . ?
C50 C52 1.387(6) . ?
C51 N3 1.343(7) . ?
C51 C54 1.383(7) . ?
C53 C59 1.382(7) . ?
C55 N9 1.351(7) . ?
C56 C60 1.391(7) . ?
C57 N7 1.347(6) . ?
C59 N3 1.343(7) . ?
N2 Ag1 2.294(4) 3 ?
N8 Ag2 2.254(4) 3_545 ?
N9 Ag1 2.284(4) 1_656 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Mo1 O1 106.6(3) 2_655 . ?
O1 Mo1 O2 104.61(17) 2_655 2_655 ?
O1 Mo1 O2 102.41(17) . 2_655 ?
O1 Mo1 O2 102.41(17) 2_655 . ?
O1 Mo1 O2 104.61(17) . . ?
O2 Mo1 O2 134.0(2) 2_655 . ?
O3 Mo2 O4 103.86(17) . . ?
O3 Mo2 O2 102.74(17) . . ?
O4 Mo2 O2 97.38(16) . . ?
O3 Mo2 O5 98.00(16) . . ?
O4 Mo2 O5 99.21(16) . . ?
O2 Mo2 O5 149.41(14) . . ?
O3 Mo2 O7 90.41(15) . 2_655 ?
O4 Mo2 O7 165.17(16) . 2_655 ?
O2 Mo2 O7 75.15(13) . 2_655 ?
O5 Mo2 O7 82.52(14) . 2_655 ?
O3 Mo2 O6 162.27(16) . . ?
O4 Mo2 O6 92.62(16) . . ?
O2 Mo2 O6 81.20(13) . . ?
O5 Mo2 O6 72.55(13) . . ?
O7 Mo2 O6 73.74(14) 2_655 . ?
O11 Mo3 O10 103.97(18) . . ?
O11 Mo3 O5 101.89(16) . . ?
O10 Mo3 O5 100.42(16) . . ?
O11 Mo3 O12 93.45(16) . . ?
O10 Mo3 O12 100.49(16) . . ?
O5 Mo3 O12 150.14(14) . . ?
O11 Mo3 O8 163.85(16) . 2_655 ?
O10 Mo3 O8 90.66(16) . 2_655 ?
O5 Mo3 O8 81.75(14) . 2_655 ?
O12 Mo3 O8 76.94(14) . 2_655 ?
O11 Mo3 O6 89.60(16) . . ?
O10 Mo3 O6 166.23(16) . . ?
O5 Mo3 O6 74.10(13) . . ?
O12 Mo3 O6 80.62(13) . . ?
O8 Mo3 O6 76.16(14) 2_655 . ?
O13 Mo4 O13 105.8(5) . 2_655 ?
O13 Mo4 O12 105.5(2) . 2_655 ?
O13 Mo4 O12 108.0(2) 2_655 2_655 ?
O13 Mo4 O12 108.0(2) . . ?
O13 Mo4 O12 105.5(2) 2_655 . ?
O12 Mo4 O12 123.0(2) 2_655 . ?
O9 Mo5 O8 106.17(18) . . ?
O9 Mo5 O7 108.08(16) . . ?
O8 Mo5 O7 110.44(16) . . ?
O9 Mo5 O6 111.15(19) . . ?
O8 Mo5 O6 110.26(18) . . ?
O7 Mo5 O6 110.63(17) . . ?
Mo1 O2 Mo2 123.56(18) . . ?
Mo3 O5 Mo2 120.97(18) . . ?
Mo5 O6 Mo3 141.07(18) . . ?
Mo5 O6 Mo2 129.14(18) . . ?
Mo3 O6 Mo2 88.97(12) . . ?
Mo5 O7 Mo2 128.59(18) . 2_655 ?
Mo5 O8 Mo3 127.94(18) . 2_655 ?
Mo4 O12 Mo3 136.3(2) . . ?
N1 Ag1 N9 129.67(14) . 1_454 ?
N1 Ag1 N2 123.19(13) . 3_445 ?
N9 Ag1 N2 107.10(14) 1_454 3_445 ?
N8 Ag2 N3 135.49(14) 3_455 . ?
N8 Ag2 N7 122.03(13) 3_455 . ?
N3 Ag2 N7 102.47(14) . . ?
N4 C18 N6 125.6(4) . . ?
N4 C18 C28 118.6(4) . . ?
N6 C18 C28 115.7(4) . . ?
N2 C21 C50 123.6(4) . . ?
C47 C22 C28 118.3(4) . . ?
N8 C23 C58 123.3(4) . . ?
N7 C27 C35 123.7(4) . . ?
C22 C28 C32 118.9(4) . . ?
C22 C28 C18 121.4(4) . . ?
C32 C28 C18 119.7(4) . . ?
C45 C30 C43 118.0(4) . . ?
N10 C31 N12 124.8(4) . . ?
N10 C31 C42 119.0(4) . . ?
N12 C31 C42 116.3(4) . . ?
C28 C32 C46 118.4(4) . . ?
C44 C34 C52 118.4(4) . . ?
C42 C35 C27 118.6(4) . . ?
C54 C36 C53 118.7(4) . . ?
C54 C36 C37 121.7(4) . . ?
C53 C36 C37 119.6(4) . . ?
N5 C37 N6 125.4(4) . . ?
N5 C37 C36 118.3(4) . . ?
N6 C37 C36 116.4(4) . . ?
C55 C38 C56 119.1(5) . . ?
N11 C39 N10 125.0(4) . . ?
N11 C39 C43 117.7(4) . . ?
N10 C39 C43 117.3(4) . . ?
N5 C40 N4 125.2(4) . . ?
N5 C40 C52 117.6(4) . . ?
N4 C40 C52 117.2(4) . . ?
N9 C41 C60 124.0(5) . . ?
C35 C42 C49 118.9(4) . . ?
C35 C42 C31 118.6(4) . . ?
C49 C42 C31 122.5(4) . . ?
C58 C43 C30 118.7(4) . . ?
C58 C43 C39 120.2(4) . . ?
C30 C43 C39 121.0(4) . . ?
N2 C44 C34 123.6(4) . . ?
N8 C45 C30 123.7(4) . . ?
N1 C46 C32 124.1(4) . . ?
N1 C47 C22 123.7(4) . . ?
N11 C48 N12 125.0(4) . . ?
N11 C48 C56 117.8(4) . . ?
N12 C48 C56 117.2(4) . . ?
C57 C49 C42 118.2(4) . . ?
C21 C50 C52 119.4(4) . . ?
N3 C51 C54 124.2(5) . . ?
C50 C52 C34 118.0(4) . . ?
C50 C52 C40 121.5(4) . . ?
C34 C52 C40 120.5(4) . . ?
C59 C53 C36 118.5(4) . . ?
C51 C54 C36 118.3(4) . . ?
N9 C55 C38 122.8(5) . . ?
C38 C56 C60 118.7(4) . . ?
C38 C56 C48 121.9(4) . . ?
C60 C56 C48 119.4(4) . . ?
N7 C57 C49 123.7(4) . . ?
C23 C58 C43 119.1(4) . . ?
N3 C59 C53 123.8(5) . . ?
C41 C60 C56 118.2(5) . . ?
C46 N1 C47 116.6(4) . . ?
C46 N1 Ag1 120.4(3) . . ?
C47 N1 Ag1 122.9(3) . . ?
C44 N2 C21 116.9(4) . . ?
C44 N2 Ag1 122.1(3) . 3 ?
C21 N2 Ag1 121.0(3) . 3 ?
C59 N3 C51 116.3(4) . . ?
C59 N3 Ag2 114.8(3) . . ?
C51 N3 Ag2 127.7(3) . . ?
C18 N4 C40 114.4(4) . . ?
C37 N5 C40 114.4(4) . . ?
C37 N6 C18 115.0(4) . . ?
C27 N7 C57 116.8(4) . . ?
C27 N7 Ag2 115.2(3) . . ?
C57 N7 Ag2 127.2(3) . . ?
C45 N8 C23 117.2(4) . . ?
C45 N8 Ag2 127.3(3) . 3_545 ?
C23 N8 Ag2 115.5(3) . 3_545 ?
C55 N9 C41 117.1(4) . . ?
C55 N9 Ag1 130.4(3) . 1_656 ?
C41 N9 Ag1 112.4(3) . 1_656 ?
C31 N10 C39 115.0(4) . . ?
C48 N11 C39 114.9(4) . . ?
C31 N12 C48 115.1(4) . . ?

_diffrn_measured_fraction_theta_max 0.972
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.972
_refine_diff_density_max         1.790
_refine_diff_density_min         -1.607
_refine_diff_density_rms         0.123
_database_code_depnum_ccdc_archive 'CCDC 976113'

