# Electronic Supplementary Material (ESI) for Chemical Science.
# 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
#  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_y

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C39 H36 Ag3 F9 N12 O9.50 S3'
_chemical_formula_weight         1415.59

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   13.528(3)
_cell_length_b                   20.050(4)
_cell_length_c                   18.260(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.10(3)
_cell_angle_gamma                90.00
_cell_volume                     4733.8(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    16838
_cell_measurement_theta_min      1.5469
_cell_measurement_theta_max      27.4788

_exptl_crystal_description       Block
_exptl_crystal_colour            pale-yellow
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.986
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2800
_exptl_absorpt_coefficient_mu    1.466
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.7534
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.710747
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20945
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.55
_diffrn_reflns_theta_max         27.47
_reflns_number_total             10731
_reflns_number_gt                9612
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP in Siemens SHELXTL (Sheldrick, 1994)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'

_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)+(0.0348P)²+14.4936P] 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         10731
_refine_ls_number_parameters     771
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1131
_refine_ls_wR_factor_gt          0.1083
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.095
_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 0.00249(2) 0.286659(16) 0.201659(17) 0.02488(9) Uani 1 1 d . . .
Ag2 Ag 0.28621(3) 0.27501(2) 0.18590(2) 0.03635(10) Uani 1 1 d . . .
Ag3 Ag -0.29903(3) 0.31737(2) 0.23191(2) 0.03644(10) Uani 1 1 d . . .
N1 N -0.1216(3) 0.37726(17) 0.09783(19) 0.0231(7) Uani 1 1 d . . .
C1 C -0.0533(3) 0.4267(2) 0.1220(2) 0.0238(8) Uani 1 1 d . . .
C2 C -0.0812(4) 0.4886(2) 0.1440(3) 0.0364(11) Uani 1 1 d . . .
H2A H -0.0321 0.5237 0.1585 0.044 Uiso 1 1 calc R . .
C3 C -0.1815(4) 0.4975(3) 0.1444(3) 0.0407(12) Uani 1 1 d . . .
H3A H -0.2019 0.5388 0.1608 0.049 Uiso 1 1 calc R . .
C4 C -0.2534(4) 0.4467(3) 0.1210(3) 0.0360(11) Uani 1 1 d . . .
H4A H -0.3231 0.4523 0.1210 0.043 Uiso 1 1 calc R . .
C5 C -0.2198(3) 0.3877(2) 0.0976(2) 0.0242(8) Uani 1 1 d . . .
N2 N -0.2902(3) 0.33500(18) 0.0697(2) 0.0250(7) Uani 1 1 d . . .
C6 C -0.3747(4) 0.3472(3) 0.0001(3) 0.0366(11) Uani 1 1 d . . .
H6A H -0.4173 0.3069 -0.0134 0.055 Uiso 1 1 calc R . .
H6B H -0.3463 0.3586 -0.0419 0.055 Uiso 1 1 calc R . .
H6C H -0.4173 0.3842 0.0088 0.055 Uiso 1 1 calc R . .
N3 N -0.2168(2) 0.25589(18) 0.16209(19) 0.0222(7) Uani 1 1 d . . .
C7 C -0.2567(3) 0.2694(2) 0.0866(2) 0.0219(8) Uani 1 1 d . . .
C8 C -0.2680(4) 0.2213(2) 0.0305(2) 0.0307(10) Uani 1 1 d . . .
H8A H -0.2983 0.2314 -0.0222 0.037 Uiso 1 1 calc R . .
C9 C -0.2331(4) 0.1576(3) 0.0543(3) 0.0372(11) Uani 1 1 d . . .
H9A H -0.2416 0.1231 0.0173 0.045 Uiso 1 1 calc R . .
C10 C -0.1867(4) 0.1432(2) 0.1301(3) 0.0335(10) Uani 1 1 d . . .
H10A H -0.1601 0.1000 0.1457 0.040 Uiso 1 1 calc R . .
C11 C -0.1798(3) 0.1942(2) 0.1838(2) 0.0228(8) Uani 1 1 d . . .
N4 N -0.1378(3) 0.18230(18) 0.2617(2) 0.0265(8) Uani 1 1 d . . .
C12 C -0.1256(4) 0.1128(3) 0.2889(3) 0.0398(12) Uani 1 1 d . . .
H12A H -0.1526 0.0826 0.2454 0.060 Uiso 1 1 calc R . .
H12B H -0.1639 0.1062 0.3263 0.060 Uiso 1 1 calc R . .
H12C H -0.0522 0.1033 0.3131 0.060 Uiso 1 1 calc R . .
N5 N -0.0490(3) 0.28263(18) 0.30254(18) 0.0239(7) Uani 1 1 d . . .
C13 C -0.1081(3) 0.2330(2) 0.3166(2) 0.0247(9) Uani 1 1 d . . .
C14 C -0.1361(3) 0.2308(3) 0.3842(2) 0.0324(10) Uani 1 1 d . . .
H14A H -0.1793 0.1961 0.3926 0.039 Uiso 1 1 calc R . .
C15 C -0.1001(4) 0.2796(3) 0.4384(3) 0.0397(12) Uani 1 1 d . . .
H15A H -0.1175 0.2785 0.4852 0.048 Uiso 1 1 calc R . .
C16 C -0.0386(4) 0.3301(3) 0.4247(3) 0.0386(12) Uani 1 1 d . . .
H16A H -0.0134 0.3643 0.4614 0.046 Uiso 1 1 calc R . .
C17 C -0.0147(3) 0.3298(2) 0.3561(2) 0.0283(9) Uani 1 1 d . . .
N6 N 0.0450(3) 0.3822(2) 0.3379(2) 0.0325(9) Uani 1 1 d . . .
C18 C 0.0155(5) 0.4500(3) 0.3511(3) 0.0474(13) Uani 1 1 d . . .
H18A H 0.0608 0.4818 0.3357 0.071 Uiso 1 1 calc R . .
H18B H 0.0224 0.4560 0.4057 0.071 Uiso 1 1 calc R . .
H18C H -0.0564 0.4580 0.3209 0.071 Uiso 1 1 calc R . .
N7 N 0.1723(3) 0.30423(19) 0.33896(19) 0.0254(7) Uani 1 1 d . . .
C19 C 0.1468(3) 0.3687(2) 0.3389(2) 0.0291(9) Uani 1 1 d . . .
C20 C 0.2189(4) 0.4199(3) 0.3407(3) 0.0356(11) Uani 1 1 d . . .
H20A H 0.2002 0.4656 0.3413 0.043 Uiso 1 1 calc R . .
C21 C 0.3170(4) 0.4015(3) 0.3416(3) 0.0398(12) Uani 1 1 d . . .
H21A H 0.3673 0.4350 0.3431 0.048 Uiso 1 1 calc R . .
C22 C 0.3439(3) 0.3350(3) 0.3404(3) 0.0340(11) Uani 1 1 d . . .
H22A H 0.4114 0.3220 0.3403 0.041 Uiso 1 1 calc R . .
C23 C 0.2683(3) 0.2881(2) 0.3393(2) 0.0272(9) Uani 1 1 d . . .
N8 N 0.2901(3) 0.2188(2) 0.3419(2) 0.0316(8) Uani 1 1 d . A .
C24 C 0.3717(4) 0.1926(3) 0.4062(3) 0.0457(13) Uani 1 1 d . . .
H24A H 0.3765 0.1442 0.4008 0.069 Uiso 1 1 calc R . .
H24B H 0.3561 0.2028 0.4541 0.069 Uiso 1 1 calc R . .
H24C H 0.4378 0.2132 0.4070 0.069 Uiso 1 1 calc R . .
N9 N 0.1833(3) 0.19797(19) 0.2195(2) 0.0256(7) Uani 1 1 d . A .
C25 C 0.2232(3) 0.1758(2) 0.2921(2) 0.0272(9) Uani 1 1 d . . .
C26 C 0.2038(4) 0.1116(2) 0.3145(3) 0.0365(11) Uani 1 1 d . A .
H26A H 0.2353 0.0961 0.3652 0.044 Uiso 1 1 calc R . .
C27 C 0.1380(4) 0.0718(2) 0.2611(3) 0.0366(11) Uani 1 1 d . . .
H27A H 0.1234 0.0280 0.2750 0.044 Uiso 1 1 calc R A .
C28 C 0.0927(4) 0.0940(2) 0.1877(3) 0.0337(10) Uani 1 1 d . A .
H28A H 0.0459 0.0665 0.1511 0.040 Uiso 1 1 calc R . .
C29 C 0.1172(3) 0.1575(2) 0.1684(2) 0.0249(9) Uani 1 1 d . . .
N10 N 0.0760(3) 0.18071(18) 0.0936(2) 0.0263(8) Uani 1 1 d . A .
C30 C 0.0287(4) 0.1322(3) 0.0332(3) 0.0399(12) Uani 1 1 d . . .
H30A H 0.0213 0.0892 0.0566 0.060 Uiso 1 1 calc R A .
H30B H 0.0728 0.1268 -0.0004 0.060 Uiso 1 1 calc R . .
H30C H -0.0396 0.1483 0.0032 0.060 Uiso 1 1 calc R . .
N11 N 0.0644(2) 0.29754(18) 0.10544(18) 0.0215(7) Uani 1 1 d . A .
C31 C 0.0922(3) 0.2453(2) 0.0691(2) 0.0240(8) Uani 1 1 d . . .
C32 C 0.1312(3) 0.2545(2) 0.0075(2) 0.0297(9) Uani 1 1 d . A .
H32A H 0.1534 0.2175 -0.0161 0.036 Uiso 1 1 calc R . .
C33 C 0.1370(3) 0.3185(2) -0.0187(2) 0.0283(9) Uani 1 1 d . . .
H33A H 0.1617 0.3259 -0.0617 0.034 Uiso 1 1 calc R A .
C34 C 0.1069(3) 0.3717(2) 0.0174(2) 0.0274(9) Uani 1 1 d . A .
H34A H 0.1099 0.4158 -0.0007 0.033 Uiso 1 1 calc R . .
C35 C 0.0724(3) 0.3599(2) 0.0802(2) 0.0214(8) Uani 1 1 d . . .
N12 N 0.0490(3) 0.41325(18) 0.1232(2) 0.0279(8) Uani 1 1 d . A .
C36 C 0.1225(4) 0.4687(2) 0.1391(3) 0.0358(11) Uani 1 1 d . . .
H36A H 0.1003 0.5025 0.1696 0.054 Uiso 1 1 calc R A .
H36B H 0.1253 0.4885 0.0906 0.054 Uiso 1 1 calc R . .
H36C H 0.1913 0.4522 0.1676 0.054 Uiso 1 1 calc R . .
S1 S -0.34681(9) 0.43030(6) 0.35344(7) 0.0310(2) Uani 1 1 d . . .
O1 O -0.2761(3) 0.4087(2) 0.3124(2) 0.0473(9) Uani 1 1 d . . .
O2 O -0.4048(3) 0.4882(2) 0.3231(3) 0.0601(12) Uani 1 1 d . . .
O3 O -0.4034(3) 0.3777(2) 0.3758(2) 0.0508(10) Uani 1 1 d . . .
C37 C -0.2592(4) 0.4590(3) 0.4442(3) 0.0414(12) Uani 1 1 d . . .
F11 F -0.2108(4) 0.4094(2) 0.4858(2) 0.0818(13) Uani 1 1 d . . .
F12 F -0.1889(3) 0.5017(2) 0.4327(2) 0.0664(10) Uani 1 1 d . . .
F13 F -0.3101(3) 0.49235(18) 0.4847(2) 0.0618(10) Uani 1 1 d . . .
S2 S 0.42474(9) 0.37314(6) 0.12415(8) 0.0383(3) Uani 1 1 d . . .
O4 O 0.3845(6) 0.3253(4) 0.0545(5) 0.0360(19) Uani 0.495(16) 1 d P A 1
O5 O 0.3575(7) 0.3741(4) 0.1660(5) 0.0360(19) Uani 0.495(16) 1 d P A 1
O4' O 0.3599(7) 0.3241(4) 0.0946(8) 0.061(4) Uani 0.505(16) 1 d P A 2
O5' O 0.3961(12) 0.4034(7) 0.1952(7) 0.075(5) Uani 0.505(16) 1 d P A 2
O6 O 0.5327(3) 0.3665(2) 0.1495(2) 0.0479(10) Uani 1 1 d . . .
C38 C 0.4014(4) 0.4480(3) 0.0665(3) 0.0361(11) Uani 1 1 d . A .
F21 F 0.4212(4) 0.4385(3) 0.0019(2) 0.109(2) Uani 1 1 d . . .
F22 F 0.4602(4) 0.4968(2) 0.1005(3) 0.1043(18) Uani 1 1 d . . .
F23 F 0.3056(2) 0.46999(18) 0.0508(2) 0.0615(10) Uani 1 1 d . . .
S3 S 0.53444(18) 0.18347(12) 0.25420(13) 0.0285(6) Uani 0.481(3) 1 d PD A 1
O7 O 0.5029(8) 0.1320(4) 0.2944(6) 0.075(3) Uani 0.481(3) 1 d PD A 1
O8 O 0.6419(5) 0.1999(5) 0.2803(5) 0.058(2) Uani 0.481(3) 1 d PD A 1
O9 O 0.4703(6) 0.2404(4) 0.2414(6) 0.054(2) Uani 0.481(3) 1 d PD A 1
C39 C 0.5195(11) 0.1480(10) 0.1618(15) 0.076(10) Uani 0.481(3) 1 d PD A 1
F31 F 0.4226(8) 0.1324(7) 0.1267(6) 0.130(5) Uani 0.481(3) 1 d PD A 1
F32 F 0.5755(10) 0.0945(5) 0.1620(8) 0.086(3) Uani 0.481(3) 1 d PD A 1
F33 F 0.5460(13) 0.1906(9) 0.1157(12) 0.082(6) Uani 0.481(3) 1 d PD A 1
S3' S 0.41307(16) 0.14547(11) 0.18617(12) 0.0284(6) Uani 0.519(3) 1 d PD A 2
O7' O 0.4011(6) 0.0818(3) 0.2147(5) 0.055(2) Uani 0.519(3) 1 d PD A 2
O8' O 0.4419(5) 0.1982(4) 0.2425(4) 0.046(2) Uani 0.519(3) 1 d PD A 2
O9' O 0.3348(5) 0.1663(4) 0.1184(4) 0.0452(18) Uani 0.519(3) 1 d PD A 2
C39' C 0.5276(8) 0.1385(6) 0.1552(7) 0.029(4) Uani 0.519(3) 1 d PD A 2
F31' F 0.5159(5) 0.0926(3) 0.0996(4) 0.0450(15) Uani 0.519(3) 1 d PD A 2
F32' F 0.6095(5) 0.1196(5) 0.2132(4) 0.066(2) Uani 0.519(3) 1 d PD A 2
F33' F 0.5530(8) 0.1965(6) 0.1272(9) 0.044(3) Uani 0.519(3) 1 d PD A 2
O1W O 0.6278(5) 0.2599(3) 0.3144(4) 0.0320(14) Uani 0.50 1 d P . 2


_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 N5 2.154(3) . ?
Ag1 N11 2.168(3) . ?
Ag2 N9 2.281(4) . ?
Ag2 O5 2.283(8) . ?
Ag2 O4' 2.391(13) . ?
Ag2 O9 2.495(8) . ?
Ag2 O8' 2.569(8) . ?
Ag3 N3 2.284(3) . ?
Ag3 O1 2.311(4) . ?
Ag3 O1W 2.335(6) 1_455 ?
Ag3 O6 2.531(3) 1_455 ?
N1 C1 1.339(5) . ?
N1 C5 1.342(5) . ?
C1 C2 1.390(6) . ?
C1 N12 1.404(5) . ?
C2 C3 1.371(7) . ?
C3 C4 1.386(7) . ?
C4 C5 1.379(6) . ?
C5 N2 1.414(5) . ?
N2 C7 1.395(5) . ?
N2 C6 1.458(5) . ?
N3 C11 1.349(5) . ?
N3 C7 1.351(5) . ?
C7 C8 1.385(6) . ?
C8 C9 1.385(7) . ?
C9 C10 1.372(6) . ?
C10 C11 1.401(6) . ?
C11 N4 1.388(5) . ?
N4 C13 1.402(6) . ?
N4 C12 1.472(6) . ?
N5 C17 1.342(5) . ?
N5 C13 1.347(6) . ?
C13 C14 1.394(6) . ?
C14 C15 1.375(7) . ?
C15 C16 1.380(8) . ?
C16 C17 1.381(6) . ?
C17 N6 1.424(6) . ?
N6 C19 1.397(6) . ?
N6 C18 1.458(6) . ?
N7 C23 1.337(5) . ?
N7 C19 1.338(6) . ?
C19 C20 1.410(7) . ?
C20 C21 1.374(7) . ?
C21 C22 1.385(7) . ?
C22 C23 1.385(6) . ?
C23 N8 1.418(6) . ?
N8 C25 1.380(6) . ?
N8 C24 1.452(6) . ?
N9 C25 1.352(5) . ?
N9 C29 1.355(6) . ?
C25 C26 1.399(6) . ?
C26 C27 1.367(7) . ?
C27 C28 1.374(7) . ?
C28 C29 1.388(6) . ?
C29 N10 1.395(5) . ?
N10 C31 1.408(5) . ?
N10 C30 1.467(6) . ?
N11 C35 1.349(5) . ?
N11 C31 1.351(5) . ?
C31 C32 1.388(6) . ?
C32 C33 1.382(7) . ?
C33 C34 1.375(6) . ?
C34 C35 1.380(5) . ?
C35 N12 1.416(5) . ?
N12 C36 1.463(5) . ?
S1 O2 1.419(4) . ?
S1 O3 1.431(4) . ?
S1 O1 1.445(4) . ?
S1 C37 1.823(5) . ?
C37 F11 1.305(6) . ?
C37 F13 1.330(6) . ?
C37 F12 1.341(6) . ?
S2 O4' 1.322(8) . ?
S2 O5 1.350(9) . ?
S2 O6 1.402(3) . ?
S2 O4 1.558(7) . ?
S2 O5' 1.581(10) . ?
S2 C38 1.807(5) . ?
O6 Ag3 2.531(3) 1_655 ?
C38 F22 1.297(7) . ?
C38 F21 1.299(6) . ?
C38 F23 1.318(5) . ?
S3 O7 1.403(7) . ?
S3 O9 1.412(8) . ?
S3 O8 1.428(7) . ?
S3 C39 1.79(3) . ?
C39 F32 1.314(17) . ?
C39 F31 1.316(16) . ?
C39 F33 1.321(17) . ?
S3' O7' 1.407(6) . ?
S3' O9' 1.434(7) . ?
S3' O8' 1.446(7) . ?
S3' C39' 1.804(14) . ?
C39' F32' 1.343(11) . ?
C39' F31' 1.344(14) . ?
C39' F33' 1.355(11) . ?
O1W Ag3 2.335(6) 1_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
N5 Ag1 N11 174.78(13) . . ?
N9 Ag2 O5 162.1(2) . . ?
N9 Ag2 O4' 151.5(3) . . ?
O5 Ag2 O4' 41.3(3) . . ?
N9 Ag2 O9 108.5(2) . . ?
O5 Ag2 O9 83.6(3) . . ?
O4' Ag2 O9 80.0(3) . . ?
N9 Ag2 O8' 88.8(2) . . ?
O5 Ag2 O8' 104.5(3) . . ?
O4' Ag2 O8' 93.9(3) . . ?
O9 Ag2 O8' 21.2(2) . . ?
N3 Ag3 O1 141.83(13) . . ?
N3 Ag3 O1W 117.54(19) . 1_455 ?
O1 Ag3 O1W 89.07(19) . 1_455 ?
N3 Ag3 O6 112.27(13) . 1_455 ?
O1 Ag3 O6 89.91(14) . 1_455 ?
O1W Ag3 O6 95.63(18) 1_455 1_455 ?
C1 N1 C5 118.2(4) . . ?
N1 C1 C2 122.5(4) . . ?
N1 C1 N12 116.4(4) . . ?
C2 C1 N12 121.1(4) . . ?
C3 C2 C1 118.1(4) . . ?
C2 C3 C4 120.6(5) . . ?
C5 C4 C3 117.4(4) . . ?
N1 C5 C4 123.3(4) . . ?
N1 C5 N2 116.5(4) . . ?
C4 C5 N2 120.2(4) . . ?
C7 N2 C5 118.9(3) . . ?
C7 N2 C6 118.1(4) . . ?
C5 N2 C6 117.5(4) . . ?
C11 N3 C7 119.1(4) . . ?
C11 N3 Ag3 122.0(3) . . ?
C7 N3 Ag3 110.3(3) . . ?
N3 C7 C8 122.6(4) . . ?
N3 C7 N2 115.0(4) . . ?
C8 C7 N2 122.4(4) . . ?
C9 C8 C7 117.2(4) . . ?
C10 C9 C8 121.5(4) . . ?
C9 C10 C11 118.0(4) . . ?
N3 C11 N4 117.6(4) . . ?
N3 C11 C10 121.3(4) . . ?
N4 C11 C10 121.0(4) . . ?
C11 N4 C13 123.5(4) . . ?
C11 N4 C12 118.7(4) . . ?
C13 N4 C12 117.8(4) . . ?
C17 N5 C13 118.6(4) . . ?
C17 N5 Ag1 117.9(3) . . ?
C13 N5 Ag1 123.4(3) . . ?
N5 C13 C14 121.6(4) . . ?
N5 C13 N4 117.4(4) . . ?
C14 C13 N4 120.9(4) . . ?
C15 C14 C13 118.9(5) . . ?
C14 C15 C16 119.7(4) . . ?
C15 C16 C17 118.4(5) . . ?
N5 C17 C16 122.8(5) . . ?
N5 C17 N6 116.6(4) . . ?
C16 C17 N6 120.6(4) . . ?
C19 N6 C17 118.6(4) . . ?
C19 N6 C18 119.7(4) . . ?
C17 N6 C18 116.6(4) . . ?
C23 N7 C19 119.0(4) . . ?
N7 C19 N6 116.1(4) . . ?
N7 C19 C20 121.8(4) . . ?
N6 C19 C20 122.1(4) . . ?
C21 C20 C19 117.7(5) . . ?
C20 C21 C22 121.1(5) . . ?
C21 C22 C23 117.2(4) . . ?
N7 C23 C22 123.2(4) . . ?
N7 C23 N8 115.5(4) . . ?
C22 C23 N8 121.2(4) . . ?
C25 N8 C23 119.9(3) . . ?
C25 N8 C24 120.2(4) . . ?
C23 N8 C24 118.8(4) . . ?
C25 N9 C29 118.1(4) . . ?
C25 N9 Ag2 112.8(3) . . ?
C29 N9 Ag2 123.5(3) . . ?
N9 C25 N8 115.9(4) . . ?
N9 C25 C26 122.3(4) . . ?
N8 C25 C26 121.7(4) . . ?
C27 C26 C25 117.9(4) . . ?
C26 C27 C28 121.1(5) . . ?
C27 C28 C29 118.3(4) . . ?
N9 C29 C28 122.2(4) . . ?
N9 C29 N10 117.9(4) . . ?
C28 C29 N10 119.9(4) . . ?
C29 N10 C31 124.2(4) . . ?
C29 N10 C30 118.4(4) . . ?
C31 N10 C30 116.4(4) . . ?
C35 N11 C31 119.3(3) . . ?
C35 N11 Ag1 117.3(3) . . ?
C31 N11 Ag1 123.3(3) . . ?
N11 C31 C32 121.5(4) . . ?
N11 C31 N10 117.7(4) . . ?
C32 C31 N10 120.7(4) . . ?
C33 C32 C31 118.5(4) . . ?
C34 C33 C32 119.9(4) . . ?
C33 C34 C35 119.1(4) . . ?
N11 C35 C34 121.5(4) . . ?
N11 C35 N12 117.2(3) . . ?
C34 C35 N12 121.2(4) . . ?
C1 N12 C35 121.1(3) . . ?
C1 N12 C36 117.8(4) . . ?
C35 N12 C36 115.7(3) . . ?
O2 S1 O3 115.6(3) . . ?
O2 S1 O1 114.7(3) . . ?
O3 S1 O1 114.8(2) . . ?
O2 S1 C37 103.5(3) . . ?
O3 S1 C37 103.4(2) . . ?
O1 S1 C37 102.3(2) . . ?
S1 O1 Ag3 125.6(2) . . ?
F11 C37 F13 108.2(5) . . ?
F11 C37 F12 108.6(5) . . ?
F13 C37 F12 105.8(4) . . ?
F11 C37 S1 111.7(4) . . ?
F13 C37 S1 111.1(4) . . ?
F12 C37 S1 111.2(4) . . ?
O4' S2 O5 76.4(6) . . ?
O4' S2 O6 124.5(5) . . ?
O5 S2 O6 128.6(4) . . ?
O4' S2 O4 34.8(5) . . ?
O5 S2 O4 109.9(4) . . ?
O6 S2 O4 106.9(4) . . ?
O4' S2 O5' 109.1(7) . . ?
O5 S2 O5' 32.9(6) . . ?
O6 S2 O5' 104.4(6) . . ?
O4 S2 O5' 142.7(6) . . ?
O4' S2 C38 113.5(4) . . ?
O5 S2 C38 106.7(4) . . ?
O6 S2 C38 104.9(2) . . ?
O4 S2 C38 94.4(4) . . ?
O5' S2 C38 96.7(4) . . ?
S2 O5 Ag2 117.7(5) . . ?
S2 O4' Ag2 112.6(9) . . ?
S2 O6 Ag3 154.2(2) . 1_655 ?
F22 C38 F21 106.5(5) . . ?
F22 C38 F23 106.1(5) . . ?
F21 C38 F23 107.7(4) . . ?
F22 C38 S2 111.7(4) . . ?
F21 C38 S2 111.0(4) . . ?
F23 C38 S2 113.4(3) . . ?
O7 S3 O9 114.5(5) . . ?
O7 S3 O8 115.5(6) . . ?
O9 S3 O8 112.6(5) . . ?
O7 S3 C39 103.6(7) . . ?
O9 S3 C39 105.8(7) . . ?
O8 S3 C39 103.2(6) . . ?
S3 O9 Ag2 141.6(6) . . ?
F32 C39 F31 107.3(18) . . ?
F32 C39 F33 105.4(18) . . ?
F31 C39 F33 105.2(16) . . ?
F32 C39 S3 114.7(15) . . ?
F31 C39 S3 112.0(15) . . ?
F33 C39 S3 111.6(18) . . ?
O7' S3' O9' 116.6(5) . . ?
O7' S3' O8' 115.8(5) . . ?
O9' S3' O8' 112.1(4) . . ?
O7' S3' C39' 104.4(5) . . ?
O9' S3' C39' 103.7(5) . . ?
O8' S3' C39' 101.7(5) . . ?
S3' O8' Ag2 97.7(4) . . ?
F32' C39' F31' 106.8(11) . . ?
F32' C39' F33' 107.3(9) . . ?
F31' C39' F33' 106.7(11) . . ?
F32' C39' S3' 111.1(9) . . ?
F31' C39' S3' 111.6(7) . . ?
F33' C39' S3' 112.8(10) . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.989
_refine_diff_density_max         1.143
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.113
_database_code_depnum_ccdc_archive 'CCDC 1006732'
#######################################################################
#
#                 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_y

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H36 Ag5 F9 N12 O10 S4'
_chemical_formula_weight         1683.40

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'
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2(1)

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

_cell_length_a                   10.570(2)
_cell_length_b                   21.277(4)
_cell_length_c                   23.103(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     5195.6(18)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    13834
_cell_measurement_theta_min      1.9143
_cell_measurement_theta_max      31.1945

_exptl_crystal_description       Plate
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.533
_exptl_crystal_size_mid          0.186
_exptl_crystal_size_min          0.106
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3280
_exptl_absorpt_coefficient_mu    2.112
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.63475
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22730
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_av_sigmaI/netI    0.0718
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.30
_diffrn_reflns_theta_max         25.01
_reflns_number_total             9098
_reflns_number_gt                7436
_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)+(0.1978P)²+59.5482P] 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_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.53(10)
_refine_ls_number_reflns         9098
_refine_ls_number_parameters     806
_refine_ls_number_restraints     487
_refine_ls_R_factor_all          0.1517
_refine_ls_R_factor_gt           0.1363
_refine_ls_wR_factor_ref         0.3768
_refine_ls_wR_factor_gt          0.3604
_refine_ls_goodness_of_fit_ref   1.127
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.000
_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 1.0219(2) 0.58098(8) 0.11332(9) 0.0702(6) Uani 1 1 d . A .
Ag2 Ag 0.9909(2) 0.50138(18) -0.02264(15) 0.0545(9) Uani 0.80 1 d P A .
Ag2' Ag 1.020(2) 0.4882(7) -0.0221(7) 0.105(8) Uani 0.20 1 d P A .
Ag3 Ag 1.0239(7) 0.4223(4) 0.1115(4) 0.0567(19) Uani 0.60 1 d P A .
Ag3' Ag 1.0152(13) 0.4148(6) 0.1177(7) 0.079(5) Uani 0.40 1 d P A .
Ag4 Ag 0.6799(3) 0.5005(2) 0.08087(15) 0.1588(16) Uani 1 1 d . . .
Ag5 Ag 0.8434(4) 0.4013(3) 0.0124(3) 0.0612(14) Uani 0.35 1 d P A .
Ag5' Ag 0.8364(8) 0.3632(4) 0.0061(3) 0.0245(16) Uiso 0.15 1 d P . .
Ag6' Ag 0.8343(13) 0.6349(6) -0.0034(5) 0.055(3) Uani 0.15 1 d P . .
Ag6 Ag 0.8340(7) 0.6033(5) 0.0157(3) 0.101(3) Uani 0.35 1 d P A .
N1 N 1.0224(10) 0.5018(7) -0.1151(4) 0.059(4) Uani 1 1 d G . .
C1 C 1.0163(18) 0.4457(5) -0.1457(7) 0.078(7) Uani 1 1 d GU A .
C2 C 1.004(2) 0.4465(5) -0.2056(7) 0.134(14) Uani 1 1 d GU A .
H2A H 1.0002 0.4090 -0.2261 0.160 Uiso 1 1 calc R . .
C3 C 0.9982(14) 0.5035(7) -0.2349(4) 0.063(5) Uani 1 1 d GU A .
H3A H 0.9901 0.5041 -0.2750 0.076 Uiso 1 1 calc R . .
C4 C 1.0042(11) 0.5597(5) -0.2043(4) 0.036(4) Uani 1 1 d GU A .
H4A H 1.0002 0.5978 -0.2238 0.044 Uiso 1 1 calc R . .
C5 C 1.0163(12) 0.5588(5) -0.1444(4) 0.039(4) Uani 1 1 d GU A .
N2 N 1.004(3) 0.6160(18) -0.1160(11) 0.133(13) Uani 1 1 d . . .
C6 C 0.908(3) 0.6735(15) -0.1163(15) 0.105(10) Uani 1 1 d U A .
H6A H 0.8544 0.6707 -0.1498 0.158 Uiso 1 1 calc R . .
H6B H 0.9543 0.7123 -0.1174 0.158 Uiso 1 1 calc R . .
H6C H 0.8568 0.6722 -0.0820 0.158 Uiso 1 1 calc R . .
N3 N 1.0326(7) 0.6567(4) -0.0232(4) 0.027(3) Uani 1 1 d GU A .
C7 C 1.0785(9) 0.6138(5) -0.0634(4) 0.053(5) Uani 1 1 d GU A .
C8 C 1.1982(10) 0.5878(5) -0.0563(4) 0.050(5) Uani 1 1 d GU . .
H8A H 1.2290 0.5591 -0.0832 0.060 Uiso 1 1 calc R A .
C9 C 1.2719(7) 0.6047(5) -0.0090(5) 0.038(4) Uani 1 1 d GU A .
H9A H 1.3520 0.5874 -0.0042 0.046 Uiso 1 1 calc R . .
C10 C 1.2260(8) 0.6476(5) 0.0313(4) 0.029(3) Uani 1 1 d GU . .
H10A H 1.2753 0.6590 0.0629 0.035 Uiso 1 1 calc R A .
C11 C 1.1063(9) 0.6736(4) 0.0242(3) 0.030(3) Uani 1 1 d GU A .
N4 N 1.0529(18) 0.7128(8) 0.0602(8) 0.058(5) Uani 1 1 d U . .
C12 C 0.979(3) 0.7656(11) 0.0388(9) 0.072(7) Uani 1 1 d . A .
H12A H 0.9550 0.7579 -0.0007 0.108 Uiso 1 1 calc R . .
H12B H 1.0287 0.8033 0.0408 0.108 Uiso 1 1 calc R . .
H12C H 0.9043 0.7704 0.0621 0.108 Uiso 1 1 calc R . .
N5 N 1.1158(10) 0.6630(3) 0.1494(4) 0.027(3) Uani 1 1 d G . .
C13 C 1.1018(12) 0.7188(4) 0.1187(3) 0.053(5) Uani 1 1 d GU A .
C14 C 1.1221(13) 0.7760(3) 0.1462(4) 0.049(5) Uani 1 1 d GU A .
H14A H 1.1127 0.8134 0.1257 0.059 Uiso 1 1 calc R . .
C15 C 1.1564(13) 0.7775(4) 0.2043(5) 0.033(3) Uani 1 1 d GU A .
H15A H 1.1699 0.8158 0.2226 0.040 Uiso 1 1 calc R . .
C16 C 1.1704(15) 0.7217(5) 0.2349(4) 0.069(7) Uani 1 1 d GU A .
H16A H 1.1933 0.7227 0.2737 0.083 Uiso 1 1 calc R . .
C17 C 1.1501(13) 0.6644(4) 0.2074(4) 0.051(5) Uani 1 1 d G A .
N6 N 1.1513(14) 0.6066(6) 0.2330(6) 0.035(3) Uani 1 1 d U . .
C18 C 1.152(2) 0.6017(9) 0.2938(7) 0.046(4) Uani 1 1 d U A .
H18A H 1.1682 0.5589 0.3047 0.069 Uiso 1 1 calc R . .
H18B H 1.0708 0.6143 0.3086 0.069 Uiso 1 1 calc R . .
H18C H 1.2163 0.6284 0.3094 0.069 Uiso 1 1 calc R . .
N7 N 1.1670(8) 0.5053(4) 0.2270(3) 0.035(3) Uani 1 1 d GU . .
C19 C 1.2128(11) 0.5615(4) 0.2046(5) 0.053(6) Uani 1 1 d G A .
C20 C 1.2912(10) 0.5610(4) 0.1563(5) 0.034(4) Uani 1 1 d GU A .
H20A H 1.3219 0.5986 0.1413 0.041 Uiso 1 1 calc R . .
C21 C 1.3238(9) 0.5043(5) 0.1304(3) 0.059(5) Uani 1 1 d G A .
H21A H 1.3763 0.5040 0.0981 0.070 Uiso 1 1 calc R . .
C22 C 1.2781(10) 0.4481(4) 0.1527(4) 0.035(4) Uani 1 1 d GU A .
H22A H 1.2999 0.4102 0.1354 0.042 Uiso 1 1 calc R . .
C23 C 1.1997(9) 0.4486(3) 0.2010(4) 0.024(3) Uani 1 1 d GU A .
N8 N 1.1818(12) 0.3867(5) 0.2312(5) 0.026(3) Uani 1 1 d U . .
C24 C 1.156(3) 0.3848(11) 0.2969(11) 0.070(6) Uani 1 1 d U A .
H24A H 1.1195 0.3449 0.3070 0.105 Uiso 1 1 calc R . .
H24B H 1.0978 0.4178 0.3070 0.105 Uiso 1 1 calc R . .
H24C H 1.2337 0.3905 0.3176 0.105 Uiso 1 1 calc R . .
N9 N 1.1022(14) 0.3325(5) 0.1459(5) 0.071(6) Uani 1 1 d GU . .
C25 C 1.1526(12) 0.3317(5) 0.2015(5) 0.032(3) Uani 1 1 d GU A .
C26 C 1.1774(15) 0.2748(6) 0.2287(5) 0.053(5) Uani 1 1 d GU A .
H26A H 1.2111 0.2743 0.2659 0.064 Uiso 1 1 calc R . .
C27 C 1.1518(18) 0.2186(5) 0.2004(7) 0.140(17) Uani 1 1 d G A .
H27A H 1.1684 0.1805 0.2186 0.169 Uiso 1 1 calc R . .
C28 C 1.1014(17) 0.2193(5) 0.1448(7) 0.073(7) Uani 1 1 d GU A .
H28A H 1.0843 0.1817 0.1258 0.087 Uiso 1 1 calc R . .
C29 C 1.0766(15) 0.2763(6) 0.1176(5) 0.056(5) Uani 1 1 d GDU A .
N10 N 1.0539(17) 0.2822(8) 0.0641(7) 0.061(5) Uani 1 1 d D . .
C30 C 0.968(3) 0.2282(12) 0.0490(11) 0.136(17) Uani 1 1 d D A .
H30A H 0.9442 0.2063 0.0837 0.204 Uiso 1 1 calc R . .
H30B H 1.0113 0.1999 0.0234 0.204 Uiso 1 1 calc R . .
H30C H 0.8934 0.2440 0.0302 0.204 Uiso 1 1 calc R . .
N11 N 1.0487(12) 0.3373(7) -0.0242(7) 0.086(7) Uani 1 1 d GU A .
C31 C 1.1193(16) 0.3226(7) 0.0247(7) 0.098(10) Uani 1 1 d GU A .
C32 C 1.2362(15) 0.3509(7) 0.0337(5) 0.074(7) Uani 1 1 d G . .
H32A H 1.2834 0.3410 0.0664 0.089 Uiso 1 1 calc R A .
C33 C 1.2824(11) 0.3941(6) -0.0062(6) 0.054(5) Uani 1 1 d GU A .
H33A H 1.3605 0.4131 -0.0002 0.065 Uiso 1 1 calc R . .
C34 C 1.2117(11) 0.4089(5) -0.0551(5) 0.037(4) Uani 1 1 d GU . .
H34A H 1.2426 0.4377 -0.0818 0.045 Uiso 1 1 calc R A .
C35 C 1.0949(11) 0.3805(6) -0.0641(5) 0.050(5) Uani 1 1 d GU A .
N12 N 1.0213(15) 0.3911(6) -0.1135(7) 0.045(4) Uani 1 1 d U . .
C36 C 0.9284(18) 0.3414(8) -0.1371(8) 0.045(4) Uani 1 1 d U A .
H36A H 0.9346 0.3039 -0.1143 0.068 Uiso 1 1 calc R . .
H36B H 0.9492 0.3321 -0.1766 0.068 Uiso 1 1 calc R . .
H36C H 0.8437 0.3575 -0.1351 0.068 Uiso 1 1 calc R . .
S1 S 0.9130(7) 0.5005(4) 0.0692(3) 0.0904(19) Uani 1 1 d . A .
S2 S 0.6971(15) 0.3074(10) 0.1215(8) 0.232(16) Uani 0.654(14) 1 d PD A 1
O1 O 0.690(3) 0.3322(12) 0.0582(11) 0.089(11) Uani 0.654(14) 1 d PDU A 1
O2 O 0.802(2) 0.3386(13) 0.1590(13) 0.093(13) Uani 0.654(14) 1 d PD A 1
O3 O 0.6808(19) 0.2365(8) 0.1304(8) 0.047(5) Uani 0.654(14) 1 d PDU A 1
F11 F 0.542(5) 0.4050(17) 0.124(3) 0.32(5) Uani 0.654(14) 1 d PDU A 1
F12 F 0.4520(19) 0.3200(17) 0.1435(19) 0.145(14) Uani 0.654(14) 1 d PDU A 1
F13 F 0.568(6) 0.363(4) 0.205(2) 1.0(2) Uiso 0.654(14) 1 d PD A 1
C37 C 0.563(4) 0.349(2) 0.1489(17) 0.100 Uiso 0.654(14) 1 d PD A 1
S2' S 0.6004(13) 0.3530(6) 0.1012(5) 0.045(4) Uani 0.346(14) 1 d PD A 2
O1' O 0.578(5) 0.415(2) 0.1004(17) 0.11(2) Uani 0.346(14) 1 d PDU A 2
O2' O 0.505(5) 0.315(2) 0.1157(18) 0.100 Uiso 0.346(14) 1 d PD A 2
O3' O 0.696(5) 0.331(3) 0.0693(17) 0.24(9) Uani 0.346(14) 1 d PDU A 2
F11' F 0.574(2) 0.3095(11) 0.2080(7) 0.040(7) Uani 0.346(14) 1 d PDU A 2
F12' F 0.8186(18) 0.3171(10) 0.1473(11) 0.022(6) Uani 0.346(14) 1 d PDU A 2
F13' F 0.685(3) 0.4325(13) 0.1806(12) 0.100 Uiso 0.346(14) 1 d PD A 2
C37' C 0.6811(18) 0.3527(9) 0.1695(7) 0.069(18) Uiso 0.346(14) 1 d PD A 2
S3 S 0.5909(9) 0.4659(4) -0.0573(4) 0.029(3) Uani 0.398(16) 1 d PDU A 1
O4 O 0.498(3) 0.452(2) -0.1003(17) 0.200 Uiso 0.398(16) 1 d PD A 1
O5 O 0.706(4) 0.4299(18) -0.0593(17) 0.100 Uiso 0.398(16) 1 d PD A 1
O6 O 0.544(2) 0.4802(11) -0.0002(10) 0.025(6) Uani 0.398(16) 1 d PDU A 1
F21 F 0.705(2) 0.5398(11) -0.1335(10) 0.051(7) Uani 0.398(16) 1 d PDU A 1
F22 F 0.731(3) 0.5671(11) -0.0406(14) 0.051(9) Uani 0.398(16) 1 d PDU A 1
F23 F 0.547(3) 0.5850(8) -0.0842(14) 0.079(12) Uani 0.398(16) 1 d PDU A 1
C38 C 0.649(3) 0.547(3) -0.0814(13) 0.08(2) Uani 0.398(16) 1 d PDU A 1
S3' S 0.6011(12) 0.5344(7) -0.0600(5) 0.102(6) Uani 0.602(16) 1 d PD A 2
O4' O 0.506(2) 0.5578(11) -0.0987(10) 0.059(6) Uani 0.602(16) 1 d PDU A 2
O5' O 0.712(2) 0.5716(10) -0.0583(11) 0.043(6) Uani 0.602(16) 1 d PDU A 2
O6' O 0.551(3) 0.5225(18) -0.0032(11) 0.101(11) Uani 0.602(16) 1 d PDU A 2
F21' F 0.684(3) 0.445(5) -0.1368(12) 0.46(9) Uani 0.602(16) 1 d PD A 2
F22' F 0.537(2) 0.4175(12) -0.0917(11) 0.085(8) Uani 0.602(16) 1 d PDU A 2
F23' F 0.704(4) 0.420(2) -0.0550(18) 0.174(19) Uani 0.602(16) 1 d PDU A 2
C38' C 0.631(2) 0.4564(8) -0.0866(11) 0.035(6) Uani 0.602(16) 1 d PDU A 2
S4 S 0.5794(8) 0.6531(5) 0.1383(6) 0.069(5) Uani 0.52(3) 1 d PDU A 1
O7 O 0.608(2) 0.5853(9) 0.1349(10) 0.042(6) Uani 0.52(3) 1 d PDU A 1
O8 O 0.555(2) 0.6723(13) 0.1991(9) 0.100 Uiso 0.52(3) 1 d PD A 1
O9 O 0.4719(18) 0.6683(10) 0.1010(10) 0.037(6) Uani 0.52(3) 1 d PDU A 1
S4' S 0.5820(15) 0.6699(11) 0.1560(9) 0.200 Uiso 0.48(3) 1 d PD A 2
O7' O 0.585(3) 0.6033(14) 0.1578(16) 0.080(12) Uani 0.48(3) 1 d PDU A 2
O8' O 0.607(3) 0.6964(12) 0.2106(11) 0.048(8) Uani 0.48(3) 1 d PDU A 2
O9' O 0.4660(16) 0.6923(8) 0.1325(10) 0.017(5) Uani 0.48(3) 1 d PDU A 2
F31 F 0.714(4) 0.6657(14) 0.0647(11) 0.213(15) Uiso 1 1 d D A .
F32 F 0.793(8) 0.673(2) 0.153(2) 0.60(6) Uiso 1 1 d D A .
F33 F 0.722(2) 0.7592(7) 0.1110(15) 0.226(19) Uani 1 1 d D A .
C39 C 0.7132(9) 0.6982(4) 0.1138(5) 0.012(2) Uiso 1 1 d D . .
C40 C 0.838(4) 0.5168(13) 0.2328(16) 0.113(11) Uani 1 1 d DU . .
O10' O 0.878(5) 0.580(2) 0.207(2) 0.034(15) Uiso 0.22(3) 1 d PD B 1
O10 O 0.866(6) 0.449(2) 0.215(2) 0.20(2) Uiso 0.78(3) 1 d PD B 2


_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 N5 2.173(8) . ?
Ag1 S1 2.302(9) . ?
Ag1 Ag6 3.043(7) . ?
Ag1 Ag3 3.376(9) . ?
Ag2 N1 2.161(9) . ?
Ag2 S1 2.276(8) . ?
Ag2 Ag5 2.760(6) . ?
Ag2 Ag6 2.869(10) . ?
Ag2 Ag6' 3.319(15) . ?
Ag2' N1 2.167(18) . ?
Ag2' S1 2.408(18) . ?
Ag2' C35 2.612(19) . ?
Ag2' Ag5 2.75(2) . ?
Ag2' Ag6 3.258(17) . ?
Ag2' Ag5' 3.36(2) . ?
Ag3 N9 2.230(13) . ?
Ag3 S1 2.257(11) . ?
Ag3 Ag5 3.015(10) . ?
Ag3' N9 2.083(16) . ?
Ag3' S1 2.397(14) . ?
Ag3' Ag5 3.050(15) . ?
Ag4 O1' 2.16(5) . ?
Ag4 O7 2.32(2) . ?
Ag4 O6 2.40(2) . ?
Ag4 O6' 2.42(3) . ?
Ag4 S1 2.478(8) . ?
Ag4 Ag6 3.115(11) . ?
Ag4 Ag5 3.153(6) . ?
Ag5 Ag5' 0.826(8) . ?
Ag5 F23' 2.18(4) . ?
Ag5 O5 2.28(3) . ?
Ag5 O1 2.43(3) . ?
Ag5 O3' 2.54(6) . ?
Ag5 S1 2.591(11) . ?
Ag5' O1 2.07(3) . ?
Ag5' O3' 2.20(5) . ?
Ag5' F23' 2.33(3) . ?
Ag5' N11 2.415(16) . ?
Ag5' O5 2.49(3) . ?
Ag6' Ag6 0.805(11) . ?
Ag6' F22 2.00(2) . ?
Ag6' F31 2.12(3) . ?
Ag6' N3 2.195(15) . ?
Ag6' O5' 2.26(3) . ?
Ag6 F22 1.86(3) . ?
Ag6 F31 2.16(3) . ?
Ag6 O5' 2.24(3) . ?
Ag6 N3 2.550(12) . ?
Ag6 S1 2.648(12) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 N12 1.381(18) . ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C2 H2A 0.9300 . ?
C3 C4 1.3900 . ?
C3 H3A 0.9300 . ?
C4 C5 1.3900 . ?
C4 H4A 0.9300 . ?
C5 N2 1.39(3) . ?
N2 C7 1.45(3) . ?
N2 C6 1.59(5) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
N3 C7 1.3900 . ?
N3 C11 1.3900 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C8 H8A 0.9300 . ?
C9 C10 1.3900 . ?
C9 H9A 0.9300 . ?
C10 C11 1.3900 . ?
C10 H10A 0.9300 . ?
C11 N4 1.307(19) . ?
N4 C12 1.46(3) . ?
N4 C13 1.45(2) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
N5 C13 1.3900 . ?
N5 C17 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C14 H14A 0.9300 . ?
C15 C16 1.3900 . ?
C15 H15A 0.9300 . ?
C16 C17 1.3900 . ?
C16 H16A 0.9300 . ?
C17 N6 1.366(15) . ?
N6 C19 1.332(16) . ?
N6 C18 1.41(2) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
N7 C19 1.3900 . ?
N7 C23 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20A 0.9300 . ?
C21 C22 1.3900 . ?
C21 H21A 0.9300 . ?
C22 C23 1.3900 . ?
C22 H22A 0.9300 . ?
C23 N8 1.502(13) . ?
N8 C25 1.391(15) . ?
N8 C24 1.54(3) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
N9 C25 1.3900 . ?
N9 C29 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26A 0.9300 . ?
C27 C28 1.3900 . ?
C27 H27A 0.9300 . ?
C28 C29 1.3900 . ?
C28 H28A 0.9300 . ?
C29 N10 1.26(2) . ?
N10 C31 1.43(2) . ?
N10 C30 1.506(10) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
N11 C31 1.3900 . ?
N11 C35 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C32 H32A 0.9300 . ?
C33 C34 1.3900 . ?
C33 H33A 0.9300 . ?
C34 C35 1.3900 . ?
C34 H34A 0.9300 . ?
C35 N12 1.400(18) . ?
N12 C36 1.541(19) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
S2 O3 1.534(19) . ?
S2 O2 1.56(2) . ?
S2 O1 1.56(2) . ?
S2 C37 1.79(5) . ?
F11 C37 1.332(9) . ?
F12 C37 1.333(9) . ?
F13 C37 1.332(9) . ?
S2' O3' 1.34(5) . ?
S2' O2' 1.34(4) . ?
S2' O1' 1.34(4) . ?
S2' C37' 1.793(10) . ?
F11' C37' 1.711(19) . ?
F12' C37' 1.717(19) . ?
F13' C37' 1.718(19) . ?
S3 O4 1.43(3) . ?
S3 O5 1.44(3) . ?
S3 O6 1.44(2) . ?
S3 C38 1.91(8) . ?
F21 C38 1.35(3) . ?
F22 C38 1.35(3) . ?
F23 C38 1.35(3) . ?
S3' O5' 1.418(19) . ?
S3' O4' 1.432(19) . ?
S3' O6' 1.44(2) . ?
S3' C38' 1.797(10) . ?
F21' C38' 1.31(3) . ?
F22' C38' 1.30(2) . ?
F23' C38' 1.31(3) . ?
S4 O9 1.461(17) . ?
S4 O7 1.475(17) . ?
S4 O8 1.485(18) . ?
S4 C39 1.801(9) . ?
S4' O8' 1.41(2) . ?
S4' O7' 1.42(2) . ?
S4' O9' 1.42(2) . ?
S4' C39 1.799(10) . ?
F31 C39 1.33(2) . ?
F32 C39 1.36(2) . ?
F33 C39 1.302(16) . ?
C40 O10' 1.53(4) . ?
C40 O10 1.53(4) . ?

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
N5 Ag1 S1 174.6(3) . . ?
N5 Ag1 Ag6 117.2(3) . . ?
S1 Ag1 Ag6 57.4(3) . . ?
N5 Ag1 Ag3 143.6(3) . . ?
S1 Ag1 Ag3 41.7(2) . . ?
Ag6 Ag1 Ag3 98.7(3) . . ?
N1 Ag2 S1 167.6(4) . . ?
N1 Ag2 Ag5 112.3(4) . . ?
S1 Ag2 Ag5 61.0(3) . . ?
N1 Ag2 Ag6 113.0(4) . . ?
S1 Ag2 Ag6 60.6(3) . . ?
Ag5 Ag2 Ag6 99.6(2) . . ?
N1 Ag2 Ag6' 101.9(4) . . ?
S1 Ag2 Ag6' 72.7(3) . . ?
Ag5 Ag2 Ag6' 109.8(2) . . ?
Ag6 Ag2 Ag6' 12.4(2) . . ?
N1 Ag2' S1 149.3(9) . . ?
N1 Ag2' C35 75.3(6) . . ?
S1 Ag2' C35 124.2(7) . . ?
N1 Ag2' Ag5 112.7(9) . . ?
S1 Ag2' Ag5 60.0(5) . . ?
C35 Ag2' Ag5 73.9(5) . . ?
N1 Ag2' Ag6 100.0(6) . . ?
S1 Ag2' Ag6 53.2(4) . . ?
C35 Ag2' Ag6 160.4(9) . . ?
Ag5 Ag2' Ag6 91.0(5) . . ?
N1 Ag2' Ag5' 107.8(8) . . ?
S1 Ag2' Ag5' 69.1(5) . . ?
C35 Ag2' Ag5' 63.4(5) . . ?
Ag5 Ag2' Ag5' 10.52(18) . . ?
Ag6 Ag2' Ag5' 101.2(6) . . ?
N9 Ag3 S1 168.2(6) . . ?
N9 Ag3 Ag5 112.3(4) . . ?
S1 Ag3 Ag5 56.7(3) . . ?
N9 Ag3 Ag1 148.8(5) . . ?
S1 Ag3 Ag1 42.7(3) . . ?
Ag5 Ag3 Ag1 98.8(3) . . ?
N9 Ag3' S1 170.0(9) . . ?
N9 Ag3' Ag5 115.7(7) . . ?
S1 Ag3' Ag5 55.3(4) . . ?
O1' Ag4 O7 112.2(15) . . ?
O1' Ag4 O6 73.4(9) . . ?
O7 Ag4 O6 111.2(8) . . ?
O1' Ag4 O6' 92.9(11) . . ?
O7 Ag4 O6' 95.5(10) . . ?
O6 Ag4 O6' 21.7(8) . . ?
O1' Ag4 S1 121.2(13) . . ?
O7 Ag4 S1 112.6(7) . . ?
O6 Ag4 S1 120.8(6) . . ?
O6' Ag4 S1 118.3(6) . . ?
O1' Ag4 Ag6 162.2(12) . . ?
O7 Ag4 Ag6 83.4(6) . . ?
O6 Ag4 Ag6 93.6(6) . . ?
O6' Ag4 Ag6 76.8(7) . . ?
S1 Ag4 Ag6 55.1(2) . . ?
O1' Ag4 Ag5 79.3(14) . . ?
O7 Ag4 Ag5 165.8(6) . . ?
O6 Ag4 Ag5 79.5(6) . . ?
O6' Ag4 Ag5 92.1(8) . . ?
S1 Ag4 Ag5 53.2(2) . . ?
Ag6 Ag4 Ag5 86.59(19) . . ?
Ag5' Ag5 F23' 89.8(16) . . ?
Ag5' Ag5 O5 94.5(13) . . ?
F23' Ag5 O5 5(2) . . ?
Ag5' Ag5 O1 54.8(10) . . ?
F23' Ag5 O1 88.3(13) . . ?
O5 Ag5 O1 93.0(13) . . ?
Ag5' Ag5 O3' 56.9(14) . . ?
F23' Ag5 O3' 93.6(16) . . ?
O5 Ag5 O3' 98.2(16) . . ?
O1 Ag5 O3' 5.7(12) . . ?
Ag5' Ag5 S1 155.8(8) . . ?
F23' Ag5 S1 113.8(14) . . ?
O5 Ag5 S1 109.3(10) . . ?
O1 Ag5 S1 117.5(7) . . ?
O3' Ag5 S1 113.2(11) . . ?
Ag5' Ag5 Ag2' 132.1(8) . . ?
F23' Ag5 Ag2' 97.4(13) . . ?
O5 Ag5 Ag2' 92.4(12) . . ?
O1 Ag5 Ag2' 170.8(8) . . ?
O3' Ag5 Ag2' 165.6(11) . . ?
S1 Ag5 Ag2' 53.6(4) . . ?
Ag5' Ag5 Ag2 139.1(7) . . ?
F23' Ag5 Ag2 91.8(12) . . ?
O5 Ag5 Ag2 86.6(11) . . ?
O1 Ag5 Ag2 166.1(7) . . ?
O3' Ag5 Ag2 163.2(12) . . ?
S1 Ag5 Ag2 50.2(2) . . ?
Ag2' Ag5 Ag2 8.6(3) . . ?
Ag5' Ag5 Ag3 109.5(7) . . ?
F23' Ag5 Ag3 160.5(14) . . ?
O5 Ag5 Ag3 156.0(10) . . ?
O1 Ag5 Ag3 100.5(6) . . ?
O3' Ag5 Ag3 94.8(10) . . ?
S1 Ag5 Ag3 46.7(2) . . ?
Ag2' Ag5 Ag3 72.0(4) . . ?
Ag2 Ag5 Ag3 75.6(2) . . ?
Ag5' Ag5 Ag3' 106.5(8) . . ?
F23' Ag5 Ag3' 162.6(14) . . ?
O5 Ag5 Ag3' 158.7(10) . . ?
O1 Ag5 Ag3' 96.2(7) . . ?
O3' Ag5 Ag3' 90.5(10) . . ?
S1 Ag5 Ag3' 49.5(3) . . ?
Ag2' Ag5 Ag3' 76.3(5) . . ?
Ag2 Ag5 Ag3' 79.9(3) . . ?
Ag3 Ag5 Ag3' 4.4(4) . . ?
Ag5' Ag5 Ag4 134.0(7) . . ?
F23' Ag5 Ag4 82.2(13) . . ?
O5 Ag5 Ag4 80.6(9) . . ?
O1 Ag5 Ag4 79.7(7) . . ?
O3' Ag5 Ag4 78.4(13) . . ?
S1 Ag5 Ag4 49.94(19) . . ?
Ag2' Ag5 Ag4 93.9(3) . . ?
Ag2 Ag5 Ag4 86.59(19) . . ?
Ag3 Ag5 Ag4 82.3(2) . . ?
Ag3' Ag5 Ag4 82.1(3) . . ?
Ag5 Ag5' O1 106.2(11) . . ?
Ag5 Ag5' O3' 104.7(17) . . ?
O1 Ag5' O3' 6.3(15) . . ?
Ag5 Ag5' F23' 69.5(15) . . ?
O1 Ag5' F23' 93.9(13) . . ?
O3' Ag5' F23' 99.2(17) . . ?
Ag5 Ag5' N11 101.0(8) . . ?
O1 Ag5' N11 142.3(10) . . ?
O3' Ag5' N11 138.6(15) . . ?
F23' Ag5' N11 120.2(12) . . ?
Ag5 Ag5' O5 66.2(12) . . ?
O1 Ag5' O5 96.9(13) . . ?
O3' Ag5' O5 102.0(17) . . ?
F23' Ag5' O5 4.0(19) . . ?
N11 Ag5' O5 117.9(11) . . ?
Ag5 Ag5' Ag2' 37.3(6) . . ?
O1 Ag5' Ag2' 143.0(9) . . ?
O3' Ag5' Ag2' 140.4(15) . . ?
F23' Ag5' Ag2' 79.5(12) . . ?
N11 Ag5' Ag2' 65.6(4) . . ?
O5 Ag5' Ag2' 75.5(11) . . ?
Ag6 Ag6' F22 68.2(14) . . ?
Ag6 Ag6' F31 81.4(15) . . ?
F22 Ag6' F31 102.5(14) . . ?
Ag6 Ag6' N3 107.1(14) . . ?
F22 Ag6' N3 125.5(12) . . ?
F31 Ag6' N3 131.3(11) . . ?
Ag6 Ag6' O5' 78.8(12) . . ?
F22 Ag6' O5' 10.5(11) . . ?
F31 Ag6' O5' 105.0(13) . . ?
N3 Ag6' O5' 123.7(9) . . ?
Ag6 Ag6' Ag2 50.1(12) . . ?
F22 Ag6' Ag2 66.1(10) . . ?
F31 Ag6' Ag2 131.4(9) . . ?
N3 Ag6' Ag2 71.1(4) . . ?
O5' Ag6' Ag2 72.4(8) . . ?
Ag6' Ag6 F22 88.1(13) . . ?
Ag6' Ag6 F31 76.9(16) . . ?
F22 Ag6 F31 106.3(14) . . ?
Ag6' Ag6 O5' 80.6(11) . . ?
F22 Ag6 O5' 7.5(11) . . ?
F31 Ag6 O5' 104.4(12) . . ?
Ag6' Ag6 N3 55.4(12) . . ?
F22 Ag6 N3 114.7(9) . . ?
F31 Ag6 N3 113.1(11) . . ?
O5' Ag6 N3 109.8(7) . . ?
Ag6' Ag6 S1 161.1(13) . . ?
F22 Ag6 S1 99.7(11) . . ?
F31 Ag6 S1 116.7(9) . . ?
O5' Ag6 S1 106.8(7) . . ?
N3 Ag6 S1 105.8(3) . . ?
Ag6' Ag6 Ag2 117.5(13) . . ?
F22 Ag6 Ag2 79.0(11) . . ?
F31 Ag6 Ag2 165.2(9) . . ?
O5' Ag6 Ag2 82.5(7) . . ?
N3 Ag6 Ag2 75.7(3) . . ?
S1 Ag6 Ag2 48.5(2) . . ?
Ag6' Ag6 Ag1 122.2(12) . . ?
F22 Ag6 Ag1 146.5(11) . . ?
F31 Ag6 Ag1 95.1(9) . . ?
O5' Ag6 Ag1 153.2(8) . . ?
N3 Ag6 Ag1 78.0(3) . . ?
S1 Ag6 Ag1 47.1(2) . . ?
Ag2 Ag6 Ag1 74.6(2) . . ?
Ag6' Ag6 Ag4 148.7(13) . . ?
F22 Ag6 Ag4 75.1(9) . . ?
F31 Ag6 Ag4 82.7(9) . . ?
O5' Ag6 Ag4 81.8(6) . . ?
N3 Ag6 Ag4 156.0(4) . . ?
S1 Ag6 Ag4 50.1(2) . . ?
Ag2 Ag6 Ag4 85.5(3) . . ?
Ag1 Ag6 Ag4 82.7(2) . . ?
Ag6' Ag6 Ag2' 118.7(13) . . ?
F22 Ag6 Ag2' 81.6(11) . . ?
F31 Ag6 Ag2' 163.3(9) . . ?
O5' Ag6 Ag2' 85.2(8) . . ?
N3 Ag6 Ag2' 75.2(4) . . ?
S1 Ag6 Ag2' 46.7(4) . . ?
Ag2 Ag6 Ag2' 2.7(4) . . ?
Ag1 Ag6 Ag2' 71.8(4) . . ?
Ag4 Ag6 Ag2' 85.3(4) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Ag2 119.5(8) . . ?
C5 N1 Ag2 118.5(8) . . ?
C1 N1 Ag2' 112.9(9) . . ?
C5 N1 Ag2' 126.7(9) . . ?
Ag2 N1 Ag2' 11.0(4) . . ?
N12 C1 C2 123.5(12) . . ?
N12 C1 N1 116.5(12) . . ?
C2 C1 N1 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2A 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C5 C4 H4A 120.0 . . ?
N2 C5 C4 116.8(17) . . ?
N2 C5 N1 122.6(17) . . ?
C4 C5 N1 120.0 . . ?
C5 N2 C7 109(3) . . ?
C5 N2 C6 137(2) . . ?
C7 N2 C6 112(2) . . ?
N2 C6 H6A 109.5 . . ?
N2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C7 N3 C11 120.0 . . ?
C7 N3 Ag6' 109.5(6) . . ?
C11 N3 Ag6' 115.2(6) . . ?
C7 N3 Ag6 103.3(5) . . ?
C11 N3 Ag6 107.5(5) . . ?
Ag6' N3 Ag6 17.6(3) . . ?
N3 C7 C8 120.0 . . ?
N3 C7 N2 110.5(15) . . ?
C8 C7 N2 127.3(13) . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C9 C8 H8A 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
N4 C11 C10 124.8(11) . . ?
N4 C11 N3 115.1(11) . . ?
C10 C11 N3 120.0 . . ?
C11 N4 C12 120.5(17) . . ?
C11 N4 C13 119.7(14) . . ?
C12 N4 C13 116.1(15) . . ?
N4 C12 H12A 109.5 . . ?
N4 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
N4 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C13 N5 C17 120.0 . . ?
C13 N5 Ag1 116.3(5) . . ?
C17 N5 Ag1 120.4(5) . . ?
N5 C13 C14 120.0 . . ?
N5 C13 N4 115.9(9) . . ?
C14 C13 N4 123.8(9) . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C16 C15 H15A 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
N6 C17 C16 126.2(9) . . ?
N6 C17 N5 113.6(9) . . ?
C16 C17 N5 120.0 . . ?
C19 N6 C17 116.1(13) . . ?
C19 N6 C18 115.9(14) . . ?
C17 N6 C18 119.9(13) . . ?
N6 C18 H18A 109.5 . . ?
N6 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
N6 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C19 N7 C23 120.0 . . ?
N6 C19 N7 105.5(9) . . ?
N6 C19 C20 133.8(9) . . ?
N7 C19 C20 120.0 . . ?
C19 C20 C21 120.0 . . ?
C19 C20 H20A 120.0 . . ?
C21 C20 H20A 120.0 . . ?
C22 C21 C20 120.0 . . ?
C22 C21 H21A 120.0 . . ?
C20 C21 H21A 120.0 . . ?
C21 C22 C23 120.0 . . ?
C21 C22 H22A 120.0 . . ?
C23 C22 H22A 120.0 . . ?
C22 C23 N7 120.0 . . ?
C22 C23 N8 116.2(7) . . ?
N7 C23 N8 122.0(8) . . ?
C25 N8 C23 122.4(11) . . ?
C25 N8 C24 115.0(13) . . ?
C23 N8 C24 120.2(13) . . ?
N8 C24 H24A 109.5 . . ?
N8 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
N8 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C25 N9 C29 120.0 . . ?
C25 N9 Ag3' 117.9(8) . . ?
C29 N9 Ag3' 119.3(8) . . ?
C25 N9 Ag3 118.8(7) . . ?
C29 N9 Ag3 119.8(7) . . ?
Ag3' N9 Ag3 4.8(6) . . ?
C26 C25 N9 120.0 . . ?
C26 C25 N8 117.9(9) . . ?
N9 C25 N8 122.1(9) . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26A 120.0 . . ?
C27 C26 H26A 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 H27A 120.0 . . ?
C28 C27 H27A 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28A 120.0 . . ?
C27 C28 H28A 120.0 . . ?
N10 C29 C28 124.3(12) . . ?
N10 C29 N9 114.3(12) . . ?
C28 C29 N9 120.0 . . ?
C29 N10 C31 126.1(15) . . ?
C29 N10 C30 105.4(13) . . ?
C31 N10 C30 127.1(18) . . ?
N10 C30 H30A 109.5 . . ?
N10 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N10 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C31 N11 C35 120.0 . . ?
C31 N11 Ag5' 108.4(8) . . ?
C35 N11 Ag5' 111.6(8) . . ?
N11 C31 C32 120.0 . . ?
N11 C31 N10 113.1(14) . . ?
C32 C31 N10 126.6(13) . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32A 120.0 . . ?
C31 C32 H32A 120.0 . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33A 120.0 . . ?
C32 C33 H33A 120.0 . . ?
C33 C34 C35 120.0 . . ?
C33 C34 H34A 120.0 . . ?
C35 C34 H34A 120.0 . . ?
C34 C35 N11 120.0 . . ?
C34 C35 N12 123.1(11) . . ?
N11 C35 N12 116.9(11) . . ?
C34 C35 Ag2' 80.4(7) . . ?
N11 C35 Ag2' 103.1(7) . . ?
N12 C35 Ag2' 89.6(9) . . ?
C1 N12 C35 126.6(13) . . ?
C1 N12 C36 111.2(14) . . ?
C35 N12 C36 122.2(14) . . ?
N12 C36 H36A 109.5 . . ?
N12 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N12 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
Ag3 S1 Ag2 102.8(4) . . ?
Ag3 S1 Ag1 95.5(3) . . ?
Ag2 S1 Ag1 103.0(3) . . ?
Ag3 S1 Ag3' 4.6(5) . . ?
Ag2 S1 Ag3' 106.2(5) . . ?
Ag1 S1 Ag3' 97.7(4) . . ?
Ag3 S1 Ag2' 93.2(5) . . ?
Ag2 S1 Ag2' 9.6(4) . . ?
Ag1 S1 Ag2' 103.5(6) . . ?
Ag3' S1 Ag2' 96.7(6) . . ?
Ag3 S1 Ag4 118.0(4) . . ?
Ag2 S1 Ag4 117.5(3) . . ?
Ag1 S1 Ag4 116.7(3) . . ?
Ag3' S1 Ag4 113.4(5) . . ?
Ag2' S1 Ag4 124.2(6) . . ?
Ag3 S1 Ag5 76.5(4) . . ?
Ag2 S1 Ag5 68.7(3) . . ?
Ag1 S1 Ag5 166.4(3) . . ?
Ag3' S1 Ag5 75.3(5) . . ?
Ag2' S1 Ag5 66.5(5) . . ?
Ag4 S1 Ag5 76.9(3) . . ?
Ag3 S1 Ag6 167.1(5) . . ?
Ag2 S1 Ag6 70.8(3) . . ?
Ag1 S1 Ag6 75.5(3) . . ?
Ag3' S1 Ag6 171.4(5) . . ?
Ag2' S1 Ag6 80.1(4) . . ?
Ag4 S1 Ag6 74.8(3) . . ?
Ag5 S1 Ag6 110.3(3) . . ?
O3 S2 O2 115.0(12) . . ?
O3 S2 O1 117.0(13) . . ?
O2 S2 O1 114.5(11) . . ?
O3 S2 C37 110.8(15) . . ?
O2 S2 C37 99.0(18) . . ?
O1 S2 C37 97(2) . . ?
S2 O1 Ag5' 128.1(18) . . ?
S2 O1 Ag5 125.5(15) . . ?
Ag5' O1 Ag5 19.0(3) . . ?
F13 C37 F11 104(4) . . ?
F13 C37 F12 103(4) . . ?
F11 C37 F12 103(4) . . ?
F13 C37 S2 115(3) . . ?
F11 C37 S2 115(3) . . ?
F12 C37 S2 115(3) . . ?
O3' S2' O2' 119.3(13) . . ?
O3' S2' O1' 118.2(14) . . ?
O2' S2' O1' 118.2(14) . . ?
O3' S2' C37' 97.2(17) . . ?
O2' S2' C37' 97.8(16) . . ?
O1' S2' C37' 95.6(11) . . ?
S2' O1' Ag4 138(4) . . ?
S2' O3' Ag5' 140(4) . . ?
S2' O3' Ag5 123(4) . . ?
Ag5' O3' Ag5 18.4(6) . . ?
F11' C37' F13' 118.0(10) . . ?
F11' C37' F12' 118.6(10) . . ?
F13' C37' F12' 117.5(10) . . ?
F11' C37' S2' 98.2(9) . . ?
F13' C37' S2' 98.0(9) . . ?
F12' C37' S2' 98.2(9) . . ?
O4 S3 O5 116.6(13) . . ?
O4 S3 O6 116.3(14) . . ?
O5 S3 O6 115.8(14) . . ?
O4 S3 C38 101.9(16) . . ?
O5 S3 C38 101.4(16) . . ?
O6 S3 C38 100.9(11) . . ?
S3 O5 Ag5 131(2) . . ?
S3 O5 Ag5' 139(2) . . ?
Ag5 O5 Ag5' 19.3(3) . . ?
S3 O6 Ag4 122.9(14) . . ?
C38 F22 Ag6 173(3) . . ?
C38 F22 Ag6' 151(4) . . ?
Ag6 F22 Ag6' 23.7(4) . . ?
F21 C38 F23 112(3) . . ?
F21 C38 F22 112(3) . . ?
F23 C38 F22 111(3) . . ?
F21 C38 S3 107(3) . . ?
F23 C38 S3 107(3) . . ?
F22 C38 S3 107(3) . . ?
O5' S3' O4' 113.7(12) . . ?
O5' S3' O6' 112.3(13) . . ?
O4' S3' O6' 111.7(12) . . ?
O5' S3' C38' 112.3(15) . . ?
O4' S3' C38' 103.4(16) . . ?
O6' S3' C38' 102(2) . . ?
S3' O5' Ag6 131.7(15) . . ?
S3' O5' Ag6' 145.4(18) . . ?
Ag6 O5' Ag6' 20.6(4) . . ?
S3' O6' Ag4 123.8(15) . . ?
C38' F23' Ag5 155(4) . . ?
C38' F23' Ag5' 175(4) . . ?
Ag5 F23' Ag5' 20.7(4) . . ?
F22' C38' F23' 97(3) . . ?
F22' C38' F21' 98(3) . . ?
F23' C38' F21' 98(3) . . ?
F22' C38' S3' 118.8(19) . . ?
F23' C38' S3' 117(3) . . ?
F21' C38' S3' 123(5) . . ?
O9 S4 O7 110.1(10) . . ?
O9 S4 O8 111.3(11) . . ?
O7 S4 O8 110.7(11) . . ?
O9 S4 C39 107.9(11) . . ?
O7 S4 C39 110.1(12) . . ?
O8 S4 C39 106.6(10) . . ?
S4 O7 Ag4 148.7(15) . . ?
O8' S4' O7' 111.7(14) . . ?
O8' S4' O9' 111.6(13) . . ?
O7' S4' O9' 111.5(13) . . ?
O8' S4' C39 102.1(17) . . ?
O7' S4' C39 109(2) . . ?
O9' S4' C39 110.2(14) . . ?
C39 F31 Ag6' 143(3) . . ?
C39 F31 Ag6 141(2) . . ?
Ag6' F31 Ag6 21.7(4) . . ?
F33 C39 F31 118.4(16) . . ?
F33 C39 F32 112.6(17) . . ?
F31 C39 F32 111.3(17) . . ?
F33 C39 S4' 114.6(16) . . ?
F31 C39 S4' 107.2(19) . . ?
F32 C39 S4' 89(4) . . ?
F33 C39 S4 127.2(14) . . ?
F31 C39 S4 89.9(18) . . ?
F32 C39 S4 94(4) . . ?
S4' C39 S4 17.4(8) . . ?
O10' C40 O10 132(4) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.639
_refine_diff_density_min         -3.492
_refine_diff_density_rms         0.255
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Methanol DCM Ether'
_chemical_properties_physical    Light-sensitive
_database_code_depnum_ccdc_archive 'CCDC 1006826'
#######################################################################
#
#                 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_y

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C75 H72 Ag5 F9 N24 O9 S4'
_chemical_formula_weight         2292.16

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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                   23.725(5)
_cell_length_b                   19.387(4)
_cell_length_c                   18.732(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.71(3)
_cell_angle_gamma                90.00
_cell_volume                     8615(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    17016
_cell_measurement_theta_min      1.3565
_cell_measurement_theta_max      32.8564

_exptl_crystal_description       rod
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.767
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4568
_exptl_absorpt_coefficient_mu    1.303
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6699
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2008)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'MM007HF + CCD (Saturn724+)'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            23746
_diffrn_reflns_av_R_equivalents  0.0885
_diffrn_reflns_av_sigmaI/netI    0.0912
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.55
_diffrn_reflns_theta_max         25.01
_reflns_number_total             7575
_reflns_number_gt                6244
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELX-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 Mercury: visualization and analysis of crystal structures, C. F. Macrae,
 P. R. Edgington, P. McCabe, E. Pidcock, G. P. Shields, R. Taylor,
 M. Towler and J. van de Streek, J. Appl. Cryst., 39, 453-457, 2006.
;
_computing_publication_material  'SHELX-97 (Sheldrick, 1997)'

_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)+(0.0360P)²+254.6552P] 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         7575
_refine_ls_number_parameters     630
_refine_ls_number_restraints     63
_refine_ls_R_factor_all          0.1356
_refine_ls_R_factor_gt           0.1143
_refine_ls_wR_factor_ref         0.2169
_refine_ls_wR_factor_gt          0.2060
_refine_ls_goodness_of_fit_ref   1.236
_refine_ls_restrained_S_all      1.235
_refine_ls_shift/su_max          0.000
_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 0.57402(4) 0.36360(5) 0.26795(5) 0.0343(3) Uani 1 1 d . . .
Ag2 Ag 0.54578(5) 0.28609(5) 0.13550(5) 0.0471(3) Uani 1 1 d . . .
Ag3 Ag 0.5000 0.15778(7) 0.2500 0.0405(4) Uani 1 2 d S . .
S1 S 0.5000 0.2832(2) 0.2500 0.0261(9) Uani 1 2 d S . .
N1 N 0.5700(4) 0.0784(5) 0.2884(5) 0.028(2) Uani 1 1 d . . .
C1 C 0.6159(5) 0.0697(6) 0.2470(7) 0.036(3) Uani 1 1 d . . .
C2 C 0.6376(6) 0.0042(7) 0.2362(7) 0.041(3) Uani 1 1 d . . .
H2A H 0.6682 -0.0026 0.2064 0.050 Uiso 1 1 calc R . .
C3 C 0.6129(6) -0.0509(6) 0.2708(7) 0.043(3) Uani 1 1 d . . .
H3A H 0.6262 -0.0953 0.2625 0.052 Uiso 1 1 calc R . .
C4 C 0.5696(6) -0.0415(7) 0.3166(7) 0.038(3) Uani 1 1 d . . .
H4A H 0.5542 -0.0784 0.3414 0.046 Uiso 1 1 calc R . .
C5 C 0.5489(5) 0.0249(6) 0.3251(6) 0.029(3) Uani 1 1 d . . .
N2 N 0.5041(4) 0.0398(5) 0.3705(5) 0.034(2) Uani 1 1 d . . .
C6 C 0.4686(6) -0.0188(7) 0.3952(7) 0.043(3) Uani 1 1 d . . .
H6A H 0.4401 -0.0018 0.4265 0.065 Uiso 1 1 calc R . .
H6B H 0.4918 -0.0516 0.4202 0.065 Uiso 1 1 calc R . .
H6C H 0.4511 -0.0407 0.3546 0.065 Uiso 1 1 calc R . .
N3 N 0.4550(4) 0.1240(5) 0.4318(5) 0.032(2) Uani 1 1 d . . .
C7 C 0.5056(5) 0.0990(6) 0.4141(6) 0.034(3) Uani 1 1 d . . .
C8 C 0.5550(6) 0.1262(7) 0.4413(6) 0.037(3) Uani 1 1 d . . .
H8A H 0.5894 0.1066 0.4295 0.044 Uiso 1 1 calc R . .
C9 C 0.5531(6) 0.1820(7) 0.4856(7) 0.048(4) Uani 1 1 d . . .
H9A H 0.5864 0.2015 0.5029 0.057 Uiso 1 1 calc R . .
C10 C 0.5012(5) 0.2099(6) 0.5050(6) 0.034(3) Uani 1 1 d . . .
H10A H 0.4988 0.2478 0.5352 0.041 Uiso 1 1 calc R . .
C11 C 0.4542(5) 0.1789(6) 0.4776(5) 0.028(3) Uani 1 1 d . . .
N4 N 0.3989(4) 0.1992(5) 0.4979(5) 0.030(2) Uani 1 1 d . . .
C12 C 0.3645(6) 0.1463(7) 0.5315(7) 0.046(4) Uani 1 1 d . . .
H12A H 0.3288 0.1657 0.5443 0.069 Uiso 1 1 calc R . .
H12B H 0.3835 0.1295 0.5736 0.069 Uiso 1 1 calc R . .
H12C H 0.3586 0.1089 0.4987 0.069 Uiso 1 1 calc R . .
N5 N 0.4103(4) 0.3147(5) 0.4637(5) 0.029(2) Uani 1 1 d . . .
C13 C 0.3843(5) 0.2674(6) 0.5047(6) 0.032(3) Uani 1 1 d . . .
C14 C 0.3408(5) 0.2881(7) 0.5500(7) 0.038(3) Uani 1 1 d . . .
H14A H 0.3214 0.2552 0.5762 0.045 Uiso 1 1 calc R . .
C15 C 0.3271(6) 0.3539(8) 0.5556(7) 0.049(4) Uani 1 1 d . . .
H15A H 0.2977 0.3667 0.5851 0.059 Uiso 1 1 calc R . .
C16 C 0.3563(5) 0.4049(7) 0.5178(6) 0.036(3) Uani 1 1 d . . .
H16A H 0.3471 0.4514 0.5223 0.043 Uiso 1 1 calc R . .
C17 C 0.3993(5) 0.3833(6) 0.4734(6) 0.029(3) Uani 1 1 d . . .
N6 N 0.4297(4) 0.4292(5) 0.4308(5) 0.035(2) Uani 1 1 d . . .
C18 C 0.4016(6) 0.4935(6) 0.4069(7) 0.040(3) Uani 1 1 d . . .
H18A H 0.3617 0.4896 0.4140 0.060 Uiso 1 1 calc R . .
H18B H 0.4088 0.5008 0.3572 0.060 Uiso 1 1 calc R . .
H18C H 0.4160 0.5317 0.4341 0.060 Uiso 1 1 calc R . .
N7 N 0.5100(4) 0.4693(4) 0.3773(5) 0.030(2) Uani 1 1 d . . .
C19 C 0.4886(5) 0.4282(6) 0.4262(6) 0.034(3) Uani 1 1 d . . .
C20 C 0.5210(5) 0.3829(7) 0.4700(6) 0.037(3) Uani 1 1 d . . .
H20A H 0.5048 0.3553 0.5048 0.045 Uiso 1 1 calc R . .
C21 C 0.5783(5) 0.3830(6) 0.4570(7) 0.036(3) Uani 1 1 d . . .
H21A H 0.6016 0.3527 0.4821 0.043 Uiso 1 1 calc R . .
C22 C 0.6012(5) 0.4263(6) 0.4083(6) 0.033(3) Uani 1 1 d . . .
H22A H 0.6399 0.4268 0.4009 0.039 Uiso 1 1 calc R . .
C23 C 0.5661(5) 0.4693(6) 0.3704(6) 0.035(3) Uani 1 1 d . . .
N8 N 0.5869(5) 0.5174(5) 0.3216(5) 0.038(3) Uani 1 1 d . . .
C24 C 0.5594(6) 0.5860(7) 0.3158(8) 0.049(4) Uani 1 1 d . . .
H24A H 0.5768 0.6121 0.2785 0.074 Uiso 1 1 calc R . .
H24B H 0.5636 0.6102 0.3603 0.074 Uiso 1 1 calc R . .
H24C H 0.5201 0.5802 0.3049 0.074 Uiso 1 1 calc R . .
N9 N 0.6414(4) 0.4397(5) 0.2591(5) 0.034(2) Uani 1 1 d . . .
C25 C 0.6347(5) 0.5052(7) 0.2799(6) 0.036(3) Uani 1 1 d . . .
C26 C 0.6706(6) 0.5578(7) 0.2600(7) 0.044(3) Uani 1 1 d . . .
H26A H 0.6641 0.6030 0.2745 0.053 Uiso 1 1 calc R . .
C27 C 0.7160(5) 0.5418(7) 0.2182(7) 0.039(3) Uani 1 1 d . . .
H27A H 0.7402 0.5765 0.2032 0.047 Uiso 1 1 calc R . .
C28 C 0.7257(5) 0.4749(7) 0.1988(7) 0.041(3) Uani 1 1 d . . .
H28A H 0.7575 0.4635 0.1728 0.049 Uiso 1 1 calc R . .
C29 C 0.6871(5) 0.4235(7) 0.2186(6) 0.036(3) Uani 1 1 d . . .
N10 N 0.6923(4) 0.3560(5) 0.1969(5) 0.036(3) Uani 1 1 d . . .
C30 C 0.7267(6) 0.3388(8) 0.1340(6) 0.046(4) Uani 1 1 d . . .
H30A H 0.7352 0.3803 0.1082 0.069 Uiso 1 1 calc R . .
H30B H 0.7061 0.3078 0.1035 0.069 Uiso 1 1 calc R . .
H30C H 0.7612 0.3173 0.1496 0.069 Uiso 1 1 calc R . .
N11 N 0.6610(4) 0.2434(5) 0.2109(5) 0.029(2) Uani 1 1 d . . .
C31 C 0.6794(5) 0.2993(7) 0.2428(6) 0.036(3) Uani 1 1 d . . .
C32 C 0.6844(5) 0.3059(6) 0.3163(6) 0.037(3) Uani 1 1 d . . .
H32A H 0.6955 0.3472 0.3374 0.044 Uiso 1 1 calc R . .
C33 C 0.6724(6) 0.2487(7) 0.3566(7) 0.046(4) Uani 1 1 d . . .
H33A H 0.6752 0.2506 0.4061 0.055 Uiso 1 1 calc R . .
C34 C 0.6564(6) 0.1891(7) 0.3231(6) 0.040(3) Uani 1 1 d . . .
H34A H 0.6498 0.1496 0.3499 0.048 Uiso 1 1 calc R . .
C35 C 0.6499(5) 0.1871(6) 0.2495(6) 0.031(3) Uani 1 1 d . . .
N12 N 0.6362(4) 0.1266(5) 0.2125(5) 0.032(2) Uani 1 1 d . . .
C36 C 0.6675(5) 0.1160(7) 0.1455(6) 0.037(3) Uani 1 1 d . . .
H36A H 0.6565 0.0729 0.1243 0.056 Uiso 1 1 calc R . .
H36B H 0.7072 0.1154 0.1558 0.056 Uiso 1 1 calc R . .
H36C H 0.6591 0.1529 0.1128 0.056 Uiso 1 1 calc R . .
S2 S 0.7197(3) -0.0351(5) 0.0448(4) 0.058(3) Uani 0.524(11) 1 d PD A 1
O1 O 0.6596(11) -0.0418(17) 0.0481(16) 0.113(12) Uani 0.524(11) 1 d PDU A 1
O2 O 0.7508(11) -0.0428(14) 0.1083(13) 0.079(8) Uani 0.524(11) 1 d PDU A 1
O3 O 0.7353(14) 0.0255(15) 0.003(2) 0.101(7) Uani 0.524(11) 1 d PD A 1
F11 F 0.7375(15) -0.1641(12) 0.0098(14) 0.21(2) Uani 0.524(11) 1 d PD A 1
F12 F 0.7176(10) -0.1002(16) -0.0755(10) 0.119(11) Uani 0.524(11) 1 d PD A 1
F13 F 0.7970(11) -0.0954(15) -0.0288(16) 0.104(11) Uani 0.524(11) 1 d PD A 1
C37 C 0.7428(9) -0.0998(11) -0.0117(11) 0.034(4) Uani 0.524(11) 1 d PDU A 1
S2' S 0.7276(5) -0.0405(5) -0.0109(7) 0.085(4) Uani 0.476(11) 1 d PDU A 2
O1' O 0.7873(11) -0.0626(17) -0.022(2) 0.086(13) Uani 0.476(11) 1 d PD A 2
O2' O 0.6924(11) -0.0508(14) -0.0772(14) 0.079(8) Uani 0.476(11) 1 d PDU A 2
O3' O 0.7251(15) 0.0339(14) 0.012(3) 0.101(7) Uani 0.476(11) 1 d PDU A 2
F11' F 0.7073(10) -0.1567(8) 0.0408(13) 0.108(10) Uani 0.476(11) 1 d PD A 2
F12' F 0.6517(9) -0.0803(14) 0.0687(11) 0.097(9) Uani 0.476(11) 1 d PD A 2
F13' F 0.7301(12) -0.0833(13) 0.1166(12) 0.104(10) Uani 0.476(11) 1 d PD A 2
C37' C 0.7052(9) -0.0908(11) 0.0549(12) 0.034(4) Uani 0.476(11) 1 d PDU A 2
S3 S 0.4974(3) 0.2297(3) 0.7012(3) 0.0463(14) Uani 0.50 1 d P . 1
O4 O 0.4471(6) 0.2285(6) 0.6762(6) 0.090(4) Uani 0.50 1 d P B 1
O5 O 0.5326(4) 0.1743(5) 0.6805(5) 0.067(3) Uani 0.50 1 d P C 1
O6 O 0.5288(4) 0.2901(5) 0.6798(5) 0.062(3) Uani 0.50 1 d P D 1
F21 F 0.4471(6) 0.2285(6) 0.6762(6) 0.090(4) Uani 0.50 1 d P E 2
F22 F 0.5326(4) 0.1743(5) 0.6805(5) 0.067(3) Uani 0.50 1 d P F 2
F23 F 0.5288(4) 0.2901(5) 0.6798(5) 0.062(3) Uani 0.50 1 d P G 2
C38 C 0.4974(3) 0.2297(3) 0.7012(3) 0.0463(14) Uani 0.50 1 d P . 2


_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 N9 2.184(10) . ?
Ag1 S1 2.369(3) . ?
Ag1 Ag2 2.9701(15) . ?
Ag2 N5 2.213(9) 2_655 ?
Ag2 S1 2.4169(11) . ?
Ag3 N1 2.370(9) 2_655 ?
Ag3 N1 2.370(9) . ?
Ag3 S1 2.432(4) . ?
S1 Ag1 2.369(3) 2_655 ?
S1 Ag2 2.4169(11) 2_655 ?
N1 C5 1.344(15) . ?
N1 C1 1.354(15) . ?
C1 N12 1.369(16) . ?
C1 C2 1.388(17) . ?
C2 C3 1.383(18) . ?
C3 C4 1.359(18) . ?
C4 C5 1.388(17) . ?
C5 N2 1.399(15) . ?
N2 C7 1.410(16) . ?
N2 C6 1.490(16) . ?
N3 C7 1.339(15) . ?
N3 C11 1.366(15) . ?
C7 C8 1.377(17) . ?
C8 C9 1.365(18) . ?
C9 C10 1.398(18) . ?
C10 C11 1.361(16) . ?
C11 N4 1.426(14) . ?
N4 C13 1.373(15) . ?
N4 C12 1.459(15) . ?
N5 C13 1.349(15) . ?
N5 C17 1.368(15) . ?
N5 Ag2 2.213(9) 2_655 ?
C13 C14 1.403(16) . ?
C14 C15 1.321(19) . ?
C15 C16 1.403(19) . ?
C16 C17 1.391(16) . ?
C17 N6 1.401(15) . ?
N6 C19 1.401(16) . ?
N6 C18 1.480(15) . ?
N7 C19 1.321(15) . ?
N7 C23 1.338(15) . ?
C19 C20 1.420(17) . ?
C20 C21 1.386(17) . ?
C21 C22 1.358(17) . ?
C22 C23 1.370(17) . ?
C23 N8 1.399(15) . ?
N8 C25 1.406(16) . ?
N8 C24 1.486(16) . ?
N9 C25 1.338(16) . ?
N9 C29 1.367(16) . ?
C25 C26 1.384(17) . ?
C26 C27 1.376(18) . ?
C27 C28 1.367(18) . ?
C28 C29 1.407(17) . ?
C29 N10 1.377(16) . ?
N10 C31 1.432(15) . ?
N10 C30 1.479(14) . ?
N11 C31 1.310(16) . ?
N11 C35 1.338(14) . ?
C31 C32 1.387(17) . ?
C32 C33 1.372(17) . ?
C33 C34 1.367(17) . ?
C34 C35 1.386(16) . ?
C35 N12 1.399(15) . ?
N12 C36 1.482(13) . ?
S2 O2 1.40(2) . ?
S2 O1 1.43(3) . ?
S2 O3 1.46(3) . ?
S2 C37 1.74(3) . ?
F11 C37 1.32(2) . ?
F12 C37 1.33(2) . ?
F13 C37 1.33(2) . ?
S2' O1' 1.50(2) . ?
S2' O2' 1.50(2) . ?
S2' O3' 1.51(3) . ?
S2' C37' 1.66(3) . ?
F11' C37' 1.31(2) . ?
F12' C37' 1.31(2) . ?
F13' C37' 1.30(2) . ?
S3 O4 1.277(13) . ?
S3 O5 1.416(10) . ?
S3 O6 1.447(11) . ?
S3 S3 1.831(11) 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
N9 Ag1 S1 167.5(3) . . ?
N9 Ag1 Ag2 115.9(3) . . ?
S1 Ag1 Ag2 52.37(4) . . ?
N5 Ag2 S1 166.6(3) 2_655 . ?
N5 Ag2 Ag1 118.1(3) 2_655 . ?
S1 Ag2 Ag1 50.91(7) . . ?
N1 Ag3 N1 99.0(5) 2_655 . ?
N1 Ag3 S1 130.5(2) 2_655 . ?
N1 Ag3 S1 130.5(2) . . ?
Ag1 S1 Ag1 97.72(16) . 2_655 ?
Ag1 S1 Ag2 76.72(6) . . ?
Ag1 S1 Ag2 101.50(9) 2_655 . ?
Ag1 S1 Ag2 101.50(9) . 2_655 ?
Ag1 S1 Ag2 76.72(6) 2_655 2_655 ?
Ag2 S1 Ag2 177.4(2) . 2_655 ?
Ag1 S1 Ag3 131.14(8) . . ?
Ag1 S1 Ag3 131.14(8) 2_655 . ?
Ag2 S1 Ag3 91.32(10) . . ?
Ag2 S1 Ag3 91.32(10) 2_655 . ?
C5 N1 C1 120.3(10) . . ?
C5 N1 Ag3 113.1(7) . . ?
C1 N1 Ag3 118.1(7) . . ?
N1 C1 N12 117.4(11) . . ?
N1 C1 C2 120.0(12) . . ?
N12 C1 C2 122.4(12) . . ?
C3 C2 C1 118.6(12) . . ?
C4 C3 C2 121.3(12) . . ?
C3 C4 C5 117.9(12) . . ?
N1 C5 C4 121.5(11) . . ?
N1 C5 N2 116.3(10) . . ?
C4 C5 N2 122.2(11) . . ?
C5 N2 C7 120.4(10) . . ?
C5 N2 C6 117.9(10) . . ?
C7 N2 C6 116.9(10) . . ?
C7 N3 C11 117.2(10) . . ?
N3 C7 C8 122.0(12) . . ?
N3 C7 N2 115.0(11) . . ?
C8 C7 N2 122.7(12) . . ?
C9 C8 C7 119.7(13) . . ?
C8 C9 C10 119.9(13) . . ?
C11 C10 C9 116.9(11) . . ?
C10 C11 N3 124.2(11) . . ?
C10 C11 N4 121.9(11) . . ?
N3 C11 N4 113.8(10) . . ?
C13 N4 C11 121.7(10) . . ?
C13 N4 C12 119.6(10) . . ?
C11 N4 C12 116.3(10) . . ?
C13 N5 C17 119.8(10) . . ?
C13 N5 Ag2 122.1(8) . 2_655 ?
C17 N5 Ag2 116.6(7) . 2_655 ?
N5 C13 N4 118.9(10) . . ?
N5 C13 C14 119.7(11) . . ?
N4 C13 C14 121.3(11) . . ?
C15 C14 C13 120.5(13) . . ?
C14 C15 C16 121.2(12) . . ?
C17 C16 C15 117.3(12) . . ?
N5 C17 C16 121.0(11) . . ?
N5 C17 N6 116.3(10) . . ?
C16 C17 N6 122.4(11) . . ?
C19 N6 C17 123.1(10) . . ?
C19 N6 C18 116.1(10) . . ?
C17 N6 C18 118.3(10) . . ?
C19 N7 C23 117.2(11) . . ?
N7 C19 N6 115.2(11) . . ?
N7 C19 C20 124.3(12) . . ?
N6 C19 C20 120.4(11) . . ?
C21 C20 C19 115.0(11) . . ?
C22 C21 C20 121.3(12) . . ?
C21 C22 C23 118.6(11) . . ?
N7 C23 C22 123.3(11) . . ?
N7 C23 N8 114.9(12) . . ?
C22 C23 N8 121.8(12) . . ?
C23 N8 C25 123.0(11) . . ?
C23 N8 C24 119.1(11) . . ?
C25 N8 C24 117.8(11) . . ?
C25 N9 C29 118.6(11) . . ?
C25 N9 Ag1 122.0(8) . . ?
C29 N9 Ag1 118.2(8) . . ?
N9 C25 C26 123.0(12) . . ?
N9 C25 N8 114.9(11) . . ?
C26 C25 N8 122.0(12) . . ?
C27 C26 C25 118.5(13) . . ?
C28 C27 C26 120.0(12) . . ?
C27 C28 C29 119.3(12) . . ?
N9 C29 N10 117.3(11) . . ?
N9 C29 C28 120.5(12) . . ?
N10 C29 C28 122.2(12) . . ?
C29 N10 C31 122.1(10) . . ?
C29 N10 C30 120.2(11) . . ?
C31 N10 C30 115.5(10) . . ?
C31 N11 C35 119.6(10) . . ?
N11 C31 C32 123.6(12) . . ?
N11 C31 N10 115.7(10) . . ?
C32 C31 N10 120.6(12) . . ?
C33 C32 C31 117.1(12) . . ?
C34 C33 C32 119.4(12) . . ?
C33 C34 C35 120.3(12) . . ?
N11 C35 C34 119.8(12) . . ?
N11 C35 N12 117.5(10) . . ?
C34 C35 N12 122.6(11) . . ?
C1 N12 C35 121.5(9) . . ?
C1 N12 C36 118.1(10) . . ?
C35 N12 C36 114.9(10) . . ?
O2 S2 O1 118.0(13) . . ?
O2 S2 O3 113.8(12) . . ?
O1 S2 O3 110.9(12) . . ?
O2 S2 C37 105.8(13) . . ?
O1 S2 C37 106.4(17) . . ?
O3 S2 C37 99.9(19) . . ?
F11 C37 F12 103.1(18) . . ?
F11 C37 F13 103.4(18) . . ?
F12 C37 F13 102.1(18) . . ?
F11 C37 S2 117.8(19) . . ?
F12 C37 S2 114.2(19) . . ?
F13 C37 S2 114(2) . . ?
O1' S2' O2' 111.2(15) . . ?
O1' S2' O3' 110.8(14) . . ?
O2' S2' O3' 109.6(14) . . ?
O1' S2' C37' 104.5(19) . . ?
O2' S2' C37' 110.8(15) . . ?
O3' S2' C37' 110(2) . . ?
F13' C37' F11' 105.7(19) . . ?
F13' C37' F12' 103.7(19) . . ?
F11' C37' F12' 103.3(19) . . ?
F13' C37' S2' 117(2) . . ?
F11' C37' S2' 114.2(17) . . ?
F12' C37' S2' 111.9(19) . . ?
O4 S3 O5 115.8(8) . . ?
O4 S3 O6 113.3(8) . . ?
O5 S3 O6 103.3(7) . . ?
O4 S3 S3 114.6(8) . 2_656 ?
O5 S3 S3 104.0(6) . 2_656 ?
O6 S3 S3 104.4(5) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.788
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.155
_database_code_depnum_ccdc_archive 'CCDC 1006827'
#######################################################################
#
#                 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_y

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'Ag6S Py[6] (CF3SO3)4 (CH3OH)0.5 (H2O)x'
_chemical_formula_sum            'C40 H36 Ag6 F10.50 N12 O16 S4.50'
_chemical_formula_weight         1931.80

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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           Orthorhombic
_symmetry_space_group_name_H-M   Pbcn

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

_cell_length_a                   12.772(3)
_cell_length_b                   35.464(7)
_cell_length_c                   25.664(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     11624(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    28031
_cell_measurement_theta_min      1.1484
_cell_measurement_theta_max      29.7739

_exptl_crystal_description       rod
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7492
_exptl_absorpt_coefficient_mu    2.253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7946
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  Confocal
_diffrn_measurement_device_type  'MM007HF + CCD (Saturn724+)'
_diffrn_measurement_method       'ω scans at fixed χ = 45°'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            48679
_diffrn_reflns_av_R_equivalents  0.0552
_diffrn_reflns_av_sigmaI/netI    0.0410
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.87
_diffrn_reflns_theta_max         25.01
_reflns_number_total             10222
_reflns_number_gt                9794
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELX-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELX-97 (Sheldrick, 1997)'
_computing_molecular_graphics    
;
 Mercury: visualization and analysis of crystal structures, C. F. Macrae,
 P. R. Edgington, P. McCabe, E. Pidcock, G. P. Shields, R. Taylor,
 M. Towler and J. van de Streek, J. Appl. Cryst., 39, 453-457, 2006.
;
_computing_publication_material  'SHELX-97 (Sheldrick, 1997)'

_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)+(0.1881P)²+307.3049P] 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       0.00053(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10222
_refine_ls_number_parameters     838
_refine_ls_number_restraints     88
_refine_ls_R_factor_all          0.1315
_refine_ls_R_factor_gt           0.1258
_refine_ls_wR_factor_ref         0.3558
_refine_ls_wR_factor_gt          0.3468
_refine_ls_goodness_of_fit_ref   1.154
_refine_ls_restrained_S_all      1.150
_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 0.5609(3) 0.80058(10) 0.3788(3) 0.0369(8) Uani 0.80 1 d P . 1
Ag1' Ag 0.582(3) 0.8020(7) 0.3860(14) 0.018(5) Uiso 0.10 1 d P . .
Ag1A Ag 0.5919(18) 0.8010(5) 0.3727(12) 0.022(5) Uiso 0.10 1 d P . .
Ag2 Ag 0.6802(3) 0.89496(11) 0.37321(16) 0.0390(8) Uani 0.85 1 d P A 1
Ag2' Ag 0.6712(19) 0.9022(6) 0.3716(9) 0.030(5) Uiso 0.15 1 d P . .
Ag3 Ag 0.4080(4) 0.88023(13) 0.4020(2) 0.0403(9) Uani 0.85 1 d P . 1
Ag3' Ag 0.404(2) 0.8868(7) 0.3990(12) 0.031(5) Uiso 0.15 1 d P . .
Ag4 Ag 0.70606(14) 0.83075(6) 0.30097(6) 0.0698(6) Uani 1 1 d . A 1
Ag5 Ag 0.5269(2) 0.94725(9) 0.33225(10) 0.1065(9) Uani 1 1 d . A 1
Ag6 Ag 0.5000 0.86661(5) 0.2500 0.0375(5) Uani 1 2 d S . 1
Ag7 Ag 0.6313(8) 0.8167(3) 0.1610(5) 0.193(4) Uani 0.50 1 d P . 1
S1 S 0.5354(3) 0.86090(10) 0.34215(13) 0.0306(8) Uani 1 1 d . . 1
N1 N 0.6030(7) 0.74366(18) 0.4039(4) 0.037(3) Uani 1 1 d G A 1
C1 C 0.7010(6) 0.7287(2) 0.3926(4) 0.038(3) Uani 1 1 d G A 1
C2 C 0.7163(7) 0.6899(3) 0.3939(5) 0.048(4) Uani 1 1 d G A 1
H2A H 0.7819 0.6799 0.3864 0.058 Uiso 1 1 calc R A 1
C3 C 0.6337(9) 0.66607(18) 0.4065(5) 0.051(4) Uani 1 1 d G A 1
H3A H 0.6439 0.6401 0.4074 0.061 Uiso 1 1 calc R A 1
C4 C 0.5357(7) 0.6811(2) 0.4178(4) 0.047(4) Uani 1 1 d G A 1
H4A H 0.4804 0.6651 0.4262 0.057 Uiso 1 1 calc R A 1
C5 C 0.5204(6) 0.7199(2) 0.4165(4) 0.036(3) Uani 1 1 d G A 1
N2 N 0.4247(10) 0.7358(3) 0.4269(5) 0.037(3) Uani 1 1 d . A 1
C6 C 0.3332(15) 0.7218(6) 0.3970(7) 0.051(4) Uani 1 1 d . A 1
H6A H 0.3507 0.6983 0.3807 0.077 Uiso 1 1 calc R A 1
H6B H 0.3145 0.7399 0.3709 0.077 Uiso 1 1 calc R A 1
H6C H 0.2752 0.7181 0.4203 0.077 Uiso 1 1 calc R A 1
N3 N 0.3272(6) 0.7902(2) 0.4442(3) 0.039(3) Uani 1 1 d G A 1
C7 C 0.4174(7) 0.7694(2) 0.4539(4) 0.037(3) Uani 1 1 d G A 1
C8 C 0.4893(6) 0.7819(3) 0.4907(4) 0.040(4) Uani 1 1 d G A 1
H8A H 0.5497 0.7679 0.4972 0.048 Uiso 1 1 calc R A 1
C9 C 0.4711(7) 0.8152(3) 0.5178(4) 0.041(4) Uani 1 1 d G A 1
H9A H 0.5192 0.8235 0.5424 0.049 Uiso 1 1 calc R A 1
C10 C 0.3809(8) 0.8360(2) 0.5081(3) 0.039(4) Uani 1 1 d G A 1
H10A H 0.3688 0.8582 0.5262 0.047 Uiso 1 1 calc R A 1
C11 C 0.3090(6) 0.8235(2) 0.4713(3) 0.030(3) Uani 1 1 d G A 1
N4 N 0.2165(10) 0.8413(4) 0.4587(5) 0.040(3) Uani 1 1 d . A 1
C12 C 0.1235(13) 0.8195(5) 0.4459(8) 0.051(4) Uani 1 1 d . A 1
H12A H 0.1422 0.7934 0.4419 0.077 Uiso 1 1 calc R A 1
H12B H 0.0940 0.8287 0.4139 0.077 Uiso 1 1 calc R A 1
H12C H 0.0729 0.8219 0.4733 0.077 Uiso 1 1 calc R A 1
N5 N 0.2870(6) 0.9024(2) 0.4541(4) 0.033(3) Uani 1 1 d G A 1
C13 C 0.2041(7) 0.87909(19) 0.4682(4) 0.037(3) Uani 1 1 d G A 1
C14 C 0.1120(6) 0.8947(3) 0.4873(5) 0.045(4) Uani 1 1 d G A 1
H14A H 0.0566 0.8791 0.4968 0.054 Uiso 1 1 calc R A 1
C15 C 0.1027(7) 0.9336(3) 0.4924(5) 0.053(5) Uani 1 1 d G A 1
H15A H 0.0411 0.9440 0.5052 0.064 Uiso 1 1 calc R A 1
C16 C 0.1856(8) 0.9569(2) 0.4783(5) 0.048(4) Uani 1 1 d G A 1
H16A H 0.1794 0.9829 0.4816 0.057 Uiso 1 1 calc R A 1
C17 C 0.2777(6) 0.9412(2) 0.4591(4) 0.040(4) Uani 1 1 d G A 1
N6 N 0.3642(10) 0.9613(4) 0.4441(6) 0.040(3) Uani 1 1 d . A 1
C18 C 0.3454(13) 0.9934(5) 0.4065(6) 0.043(4) Uani 1 1 d . A 1
H18A H 0.4109 1.0052 0.3981 0.065 Uiso 1 1 calc R A 1
H18B H 0.2996 1.0116 0.4223 0.065 Uiso 1 1 calc R A 1
H18C H 0.3137 0.9838 0.3753 0.065 Uiso 1 1 calc R A 1
N7 N 0.5396(7) 0.9673(2) 0.4266(3) 0.036(3) Uani 1 1 d G A 1
C19 C 0.4610(5) 0.9519(3) 0.4575(4) 0.040(4) Uani 1 1 d G A 1
C20 C 0.4869(6) 0.9297(3) 0.5003(3) 0.038(3) Uani 1 1 d G A 1
H20A H 0.4344 0.9194 0.5209 0.045 Uiso 1 1 calc R A 1
C21 C 0.5914(7) 0.9230(3) 0.5122(3) 0.043(4) Uani 1 1 d G A 1
H21A H 0.6088 0.9082 0.5408 0.051 Uiso 1 1 calc R A 1
C22 C 0.6700(5) 0.9384(3) 0.4813(4) 0.035(3) Uani 1 1 d G A 1
H22A H 0.7399 0.9339 0.4893 0.042 Uiso 1 1 calc R A 1
C23 C 0.6441(6) 0.9605(3) 0.4385(3) 0.037(3) Uani 1 1 d G A 1
N8 N 0.7134(10) 0.9796(4) 0.4084(5) 0.041(3) Uani 1 1 d . A 1
C24 C 0.6917(16) 1.0186(5) 0.3935(7) 0.051(4) Uani 1 1 d . A 1
H24A H 0.6207 1.0248 0.4024 0.076 Uiso 1 1 calc R A 1
H24B H 0.7015 1.0215 0.3566 0.076 Uiso 1 1 calc R A 1
H24C H 0.7385 1.0352 0.4117 0.076 Uiso 1 1 calc R A 1
N9 N 0.8183(6) 0.9281(2) 0.3887(4) 0.034(3) Uani 1 1 d G A 1
C25 C 0.8109(6) 0.9665(2) 0.3985(4) 0.040(4) Uani 1 1 d G A 1
C26 C 0.8998(7) 0.9891(2) 0.3961(4) 0.042(4) Uani 1 1 d G A 1
H26A H 0.8948 1.0148 0.4026 0.051 Uiso 1 1 calc R A 1
C27 C 0.9961(6) 0.9731(3) 0.3838(4) 0.052(5) Uani 1 1 d G A 1
H27A H 1.0556 0.9882 0.3822 0.063 Uiso 1 1 calc R A 1
C28 C 1.0035(5) 0.9347(3) 0.3740(4) 0.041(4) Uani 1 1 d G A 1
H28A H 1.0680 0.9240 0.3659 0.049 Uiso 1 1 calc R A 1
C29 C 0.9146(7) 0.9121(2) 0.3765(4) 0.043(4) Uani 1 1 d G A 1
N10 N 0.9156(10) 0.8749(4) 0.3660(5) 0.038(3) Uani 1 1 d . A 1
C30 C 0.9748(15) 0.8612(6) 0.3211(7) 0.054(5) Uani 1 1 d . A 1
H30A H 1.0067 0.8821 0.3035 0.081 Uiso 1 1 calc R A 1
H30B H 0.9283 0.8484 0.2976 0.081 Uiso 1 1 calc R A 1
H30C H 1.0281 0.8441 0.3327 0.081 Uiso 1 1 calc R A 1
N11 N 0.8386(7) 0.8151(3) 0.3745(3) 0.039(3) Uani 1 1 d G A 1
C31 C 0.8612(7) 0.8498(2) 0.3971(3) 0.038(3) Uani 1 1 d G A 1
C32 C 0.8368(8) 0.8562(2) 0.4491(3) 0.035(3) Uani 1 1 d G A 1
H32A H 0.8519 0.8795 0.4642 0.041 Uiso 1 1 calc R A 1
C33 C 0.7898(8) 0.8281(3) 0.4786(3) 0.040(4) Uani 1 1 d G A 1
H33A H 0.7734 0.8324 0.5134 0.048 Uiso 1 1 calc R A 1
C34 C 0.7672(8) 0.7934(2) 0.4560(3) 0.044(4) Uani 1 1 d G A 1
H34A H 0.7357 0.7745 0.4757 0.053 Uiso 1 1 calc R A 1
C35 C 0.7916(8) 0.7869(2) 0.4040(4) 0.040(4) Uani 1 1 d G A 1
N12 N 0.7781(13) 0.7541(4) 0.3776(6) 0.054(4) Uani 1 1 d . A 1
C36 C 0.864(2) 0.7381(7) 0.3458(12) 0.091(9) Uani 1 1 d . A 1
H36A H 0.9131 0.7576 0.3375 0.136 Uiso 1 1 calc R A 1
H36B H 0.8351 0.7279 0.3141 0.136 Uiso 1 1 calc R A 1
H36C H 0.8978 0.7185 0.3650 0.136 Uiso 1 1 calc R A 1
S2 S 0.7247(3) 0.91887(13) 0.22345(18) 0.0475(10) Uani 1 1 d D A 1
O1 O 0.6178(8) 0.9277(4) 0.2343(6) 0.078(5) Uani 1 1 d D A 1
O2 O 0.7470(10) 0.9128(4) 0.1695(5) 0.070(4) Uani 1 1 d D A 1
O3 O 0.7698(12) 0.8916(4) 0.2579(5) 0.070(4) Uani 1 1 d D A 1
F11 F 0.8954(9) 0.9563(5) 0.2392(6) 0.100(5) Uani 1 1 d D A 1
F12 F 0.7723(12) 0.9884(4) 0.2066(5) 0.096(5) Uani 1 1 d D A 1
F13 F 0.7682(10) 0.9736(4) 0.2868(4) 0.074(3) Uani 1 1 d D A 1
C37 C 0.7964(10) 0.9634(5) 0.2404(5) 0.055(5) Uani 1 1 d D A 1
S3 S 0.6072(11) 0.5834(4) 0.0886(7) 0.040(3) Uani 0.57(2) 1 d PD B 1
O4 O 0.5030(18) 0.5906(8) 0.1027(10) 0.068(8) Uani 0.57(2) 1 d PD B 1
O5 O 0.657(3) 0.6127(8) 0.0607(17) 0.071(13) Uani 0.57(2) 1 d PD B 1
O6 O 0.631(3) 0.5468(9) 0.0731(18) 0.062(14) Uani 0.57(2) 1 d PDU B 1
F21 F 0.663(3) 0.6160(7) 0.1765(11) 0.117(14) Uani 0.57(2) 1 d PD B 1
F22 F 0.628(3) 0.5557(7) 0.1818(10) 0.082(9) Uani 0.57(2) 1 d PD B 1
F23 F 0.775(3) 0.5745(8) 0.1467(15) 0.136(16) Uani 0.57(2) 1 d PD B 1
C38 C 0.671(2) 0.5827(6) 0.1512(13) 0.073(13) Uani 0.57(2) 1 d PD B 1
S3' S 0.6402(16) 0.5787(6) 0.0939(9) 0.038(4) Uani 0.43(2) 1 d PD B 2
O4' O 0.619(3) 0.6117(13) 0.063(2) 0.066(15) Uani 0.43(2) 1 d PD B 2
O5' O 0.746(3) 0.5797(10) 0.1133(18) 0.082(13) Uani 0.43(2) 1 d PDU B 2
O6' O 0.620(2) 0.5450(9) 0.0651(16) 0.030(10) Uani 0.43(2) 1 d PDU B 2
F21' F 0.555(3) 0.5517(8) 0.1772(12) 0.071(10) Uani 0.43(2) 1 d PD B 2
F22' F 0.451(3) 0.5800(9) 0.1242(14) 0.088(11) Uani 0.43(2) 1 d PD B 2
F23' F 0.556(3) 0.6123(6) 0.1719(12) 0.079(11) Uani 0.43(2) 1 d PD B 2
C38' C 0.546(3) 0.5805(6) 0.1449(13) 0.071(17) Uani 0.43(2) 1 d PD B 2
S4 S 0.0841(12) 0.6087(3) 0.1457(6) 0.149(5) Uani 1 1 d D . .
O7 O 0.013(3) 0.5762(6) 0.1539(15) 0.23(2) Uani 1 1 d D . .
O8 O 0.033(3) 0.6465(9) 0.149(2) 0.27(2) Uani 1 1 d DU . .
O9 O 0.165(2) 0.6044(7) 0.1056(8) 0.133(10) Uani 1 1 d D . .
F31 F 0.105(3) 0.6105(11) 0.2498(12) 0.30(2) Uani 1 1 d DU . .
F32 F 0.216(2) 0.5726(9) 0.2096(13) 0.212(14) Uani 1 1 d DU . .
F33 F 0.240(3) 0.6342(11) 0.2064(16) 0.30(2) Uiso 1 1 d D . .
C39 C 0.1624(18) 0.6065(7) 0.2040(8) 0.24(3) Uiso 1 1 d D . .
S5 S 0.5302(7) 0.7514(3) 0.2563(4) 0.051(2) Uani 0.50 1 d P . .
O10 O 0.633(3) 0.7544(9) 0.2796(13) 0.080(10) Uani 0.50 1 d P . .
O11 O 0.5320(18) 0.7627(5) 0.2049(8) 0.100(7) Uani 1 1 d . . .
C40 C 0.5000 0.6992(10) 0.2500 0.11(2) Uani 1 2 d S . .
F41 F 0.450(5) 0.6881(11) 0.2174(19) 0.14(2) Uani 0.50 1 d P . .
F42 F 0.575(4) 0.6859(10) 0.217(2) 0.14(2) Uani 0.50 1 d P . .
F43 F 0.484(12) 0.682(2) 0.205(5) 0.41(13) Uani 0.50 1 d P . .
O13 O 0.513(2) 1.0079(8) 0.2917(14) 0.068(8) Uani 0.50 1 d P . .
C41 C 0.5000 1.0189(13) 0.2500 0.085(11) Uani 1 2 d S . .
O1W O 0.322(3) 0.5874(11) 0.1588(16) 0.092(11) Uiso 0.50 1 d P . .
O2W O 0.772(3) 0.8078(9) 0.1848(13) 0.070(8) Uiso 0.50 1 d P . .
O3W O 0.823(8) 0.684(3) 0.212(4) 0.22(4) Uiso 0.50 1 d P . .
O4W O 0.809(3) 0.8054(12) 0.2294(17) 0.093(11) Uiso 0.50 1 d P A .
O5W O 0.874(6) 0.710(2) 0.200(3) 0.17(2) Uiso 0.50 1 d P . .
O6W O 0.936(5) 0.7395(18) 0.228(2) 0.145(19) Uiso 0.50 1 d P A .
O7W O 0.768(4) 0.7991(13) 0.2922(19) 0.111(13) Uiso 0.50 1 d P . .
O8W O 0.724(5) 0.7975(17) 0.230(2) 0.144(19) Uiso 0.50 1 d P A .
O9W O 0.952(4) 0.7021(16) 0.232(2) 0.136(18) Uiso 0.50 1 d P . .
O10W O 0.867(6) 0.773(2) 0.214(3) 0.17(2) Uiso 0.50 1 d P . .


_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 2.186(7) . ?
Ag1 S1 2.359(5) . ?
Ag1 Ag7 2.719(11) 3_655 ?
Ag1 Ag4 2.928(6) . ?
Ag1' N1 2.14(2) . ?
Ag1' S1 2.45(2) . ?
Ag1' Ag4 2.88(4) . ?
Ag1' Ag7 3.03(3) 3_655 ?
Ag1A N1 2.189(19) . ?
Ag1A S1 2.38(2) . ?
Ag1A Ag4 2.575(18) . ?
Ag1A Ag7 3.03(3) 3_655 ?
Ag2 N9 2.156(7) . ?
Ag2 S1 2.348(5) . ?
Ag2 Ag5 2.895(5) . ?
Ag2 Ag4 2.955(4) . ?
Ag2' N9 2.14(3) . ?
Ag2' S1 2.39(3) . ?
Ag2' Ag5 2.64(2) . ?
Ag2' Ag4 3.15(2) . ?
Ag3 N5 2.189(8) . ?
Ag3 S1 2.340(6) . ?
Ag3 Ag7 2.818(10) 3_655 ?
Ag3 Ag5 3.340(6) . ?
Ag3' N5 2.13(3) . ?
Ag3' S1 2.40(3) . ?
Ag3' Ag7 2.96(3) 3_655 ?
Ag3' Ag5 3.16(3) . ?
Ag4 O7W 1.39(5) . ?
Ag4 O8W 2.18(6) . ?
Ag4 O4W 2.43(4) . ?
Ag4 O3 2.558(14) . ?
Ag4 N11 2.596(9) . ?
Ag4 S1 2.648(4) . ?
Ag4 Ag6 3.202(2) . ?
Ag5 O13 2.40(3) . ?
Ag5 N7 2.529(9) . ?
Ag6 S1 2.416(3) . ?
Ag6 S1 2.416(3) 3_655 ?
Ag6 Ag4 3.202(2) 3_655 ?
Ag6 Ag7 3.342(12) . ?
Ag6 Ag7 3.342(12) 3_655 ?
Ag7 O2W 1.92(3) . ?
Ag7 O8W 2.23(6) . ?
Ag7 O11 2.56(2) . ?
Ag7 S1 2.646(10) 3_655 ?
Ag7 Ag1 2.719(11) 3_655 ?
Ag7 Ag3 2.818(10) 3_655 ?
Ag7 Ag3' 2.96(3) 3_655 ?
Ag7 Ag1' 3.03(3) 3_655 ?
Ag7 Ag1A 3.03(3) 3_655 ?
S1 Ag7 2.646(10) 3_655 ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C1 N12 1.391(17) . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 N2 1.372(15) . ?
N2 C7 1.382(14) . ?
N2 C6 1.48(2) . ?
N3 C7 1.3900 . ?
N3 C11 1.3900 . ?
C7 C8 1.3900 . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C11 N4 1.379(15) . ?
N4 C13 1.371(16) . ?
N4 C12 1.46(2) . ?
N5 C13 1.3900 . ?
N5 C17 1.3900 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 N6 1.370(15) . ?
N6 C19 1.326(15) . ?
N6 C18 1.51(2) . ?
N7 C19 1.3900 . ?
N7 C23 1.3900 . ?
C19 C20 1.3900 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C22 C23 1.3900 . ?
C23 N8 1.357(15) . ?
N8 C25 1.352(15) . ?
N8 C24 1.46(2) . ?
N9 C25 1.3900 . ?
N9 C29 1.3900 . ?
C25 C26 1.3900 . ?
C26 C27 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 N10 1.347(15) . ?
N10 C31 1.384(15) . ?
N10 C30 1.46(2) . ?
N11 C31 1.3900 . ?
N11 C35 1.3900 . ?
C31 C32 1.3900 . ?
C32 C33 1.3900 . ?
C33 C34 1.3900 . ?
C34 C35 1.3900 . ?
C35 N12 1.355(16) . ?
N12 C36 1.48(3) . ?
S2 O1 1.428(11) . ?
S2 O2 1.431(12) . ?
S2 O3 1.431(11) . ?
S2 C37 1.877(19) . ?
F11 C37 1.290(14) . ?
F12 C37 1.277(14) . ?
F13 C37 1.296(14) . ?
S3 O6 1.39(2) . ?
S3 O4 1.40(2) . ?
S3 O5 1.41(2) . ?
S3 C38 1.80(4) . ?
F21 C38 1.35(2) . ?
F22 C38 1.36(2) . ?
F23 C38 1.36(2) . ?
S3' O6' 1.43(3) . ?
S3' O5' 1.44(3) . ?
S3' O4' 1.44(3) . ?
S3' C38' 1.78(5) . ?
F21' C38' 1.32(3) . ?
F22' C38' 1.33(3) . ?
F23' C38' 1.33(3) . ?
S4 O9 1.47(2) . ?
S4 O7 1.48(2) . ?
S4 O8 1.49(3) . ?
S4 C39 1.802(10) . ?
F31 C39 1.39(3) . ?
F32 C39 1.39(3) . ?
F33 C39 1.39(3) . ?
S5 S5 0.837(18) 3_655 ?
S5 O11 1.34(2) 3_655 ?
S5 O11 1.38(2) . ?
S5 O10 1.45(4) . ?
S5 C40 1.90(4) . ?
O11 S5 1.34(2) 3_655 ?
C40 F41 1.13(3) 3_655 ?
C40 F41 1.13(3) . ?
C40 F43 1.33(15) . ?
C40 F43 1.33(15) 3_655 ?
C40 F42 1.36(5) 3_655 ?
C40 F42 1.36(5) . ?
C40 S5 1.90(4) 3_655 ?
F41 F43 0.58(10) . ?
F41 F42 1.61(8) . ?
F41 F42 1.70(7) 3_655 ?
F42 F43 1.23(19) . ?
F42 F41 1.70(7) 3_655 ?
O13 C41 1.15(4) . ?
C41 O13 1.15(4) 3_655 ?
O2W O4W 1.25(5) . ?
O2W O8W 1.36(7) . ?
O3W O5W 1.17(10) . ?
O4W O8W 1.13(6) . ?
O4W O10W 1.42(7) . ?
O4W O7W 1.71(6) . ?
O5W O9W 1.33(8) . ?
O5W O6W 1.48(9) . ?
O6W O9W 1.35(7) . ?
O6W O10W 1.52(8) . ?
O7W O8W 1.69(8) . ?
O9W O9W 1.52(11) 3_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
N1 Ag1 S1 171.3(4) . . ?
N1 Ag1 Ag7 121.8(3) . 3_655 ?
S1 Ag1 Ag7 62.3(3) . 3_655 ?
N1 Ag1 Ag4 112.5(3) . . ?
S1 Ag1 Ag4 58.95(15) . . ?
Ag7 Ag1 Ag4 103.8(3) 3_655 . ?
N1 Ag1' S1 163.0(13) . . ?
N1 Ag1' Ag4 116.0(17) . . ?
S1 Ag1' Ag4 58.9(8) . . ?
N1 Ag1' Ag7 111.3(11) . 3_655 ?
S1 Ag1' Ag7 56.6(5) . 3_655 ?
Ag4 Ag1' Ag7 97.6(8) . 3_655 ?
N1 Ag1A S1 166.0(11) . . ?
N1 Ag1A Ag4 127.2(8) . . ?
S1 Ag1A Ag4 64.5(5) . . ?
N1 Ag1A Ag7 109.6(9) . 3_655 ?
S1 Ag1A Ag7 57.1(6) . 3_655 ?
Ag4 Ag1A Ag7 104.7(10) . 3_655 ?
N9 Ag2 S1 170.8(3) . . ?
N9 Ag2 Ag5 105.8(3) . . ?
S1 Ag2 Ag5 70.93(15) . . ?
N9 Ag2 Ag4 116.4(3) . . ?
S1 Ag2 Ag4 58.58(13) . . ?
Ag5 Ag2 Ag4 109.97(14) . . ?
N9 Ag2' S1 164.9(11) . . ?
N9 Ag2' Ag5 115.6(9) . . ?
S1 Ag2' Ag5 75.1(7) . . ?
N9 Ag2' Ag4 109.9(9) . . ?
S1 Ag2' Ag4 55.1(5) . . ?
Ag5 Ag2' Ag4 111.4(8) . . ?
N5 Ag3 S1 175.4(3) . . ?
N5 Ag3 Ag7 120.7(4) . 3_655 ?
S1 Ag3 Ag7 60.9(3) . 3_655 ?
N5 Ag3 Ag5 113.1(3) . . ?
S1 Ag3 Ag5 62.66(15) . . ?
Ag7 Ag3 Ag5 110.1(3) 3_655 . ?
N5 Ag3' S1 172.3(13) . . ?
N5 Ag3' Ag7 117.0(12) . 3_655 ?
S1 Ag3' Ag7 58.1(7) . 3_655 ?
N5 Ag3' Ag5 122.1(10) . . ?
S1 Ag3' Ag5 65.5(7) . . ?
Ag7 Ag3' Ag5 111.4(10) 3_655 . ?
O7W Ag4 O8W 51(2) . . ?
O7W Ag4 O4W 43(2) . . ?
O8W Ag4 O4W 27.7(17) . . ?
O7W Ag4 O3 116(2) . . ?
O8W Ag4 O3 93.6(17) . . ?
O4W Ag4 O3 79.3(10) . . ?
O7W Ag4 Ag1A 96(2) . . ?
O8W Ag4 Ag1A 115.7(18) . . ?
O4W Ag4 Ag1A 134.0(11) . . ?
O3 Ag4 Ag1A 146.6(5) . . ?
O7W Ag4 N11 65(2) . . ?
O8W Ag4 N11 115.1(17) . . ?
O4W Ag4 N11 96.6(10) . . ?
O3 Ag4 N11 106.7(4) . . ?
Ag1A Ag4 N11 76.2(7) . . ?
O7W Ag4 S1 149(2) . . ?
O8W Ag4 S1 129.5(17) . . ?
O4W Ag4 S1 153.8(10) . . ?
O3 Ag4 S1 95.4(3) . . ?
Ag1A Ag4 S1 54.1(4) . . ?
N11 Ag4 S1 109.45(18) . . ?
O7W Ag4 Ag1' 98(2) . . ?
O8W Ag4 Ag1' 119.9(18) . . ?
O4W Ag4 Ag1' 137.6(11) . . ?
O3 Ag4 Ag1' 143.2(6) . . ?
Ag1A Ag4 Ag1' 4.2(7) . . ?
N11 Ag4 Ag1' 74.4(5) . . ?
S1 Ag4 Ag1' 52.3(6) . . ?
O7W Ag4 Ag1 100(2) . . ?
O8W Ag4 Ag1 116.0(17) . . ?
O4W Ag4 Ag1 136.3(10) . . ?
O3 Ag4 Ag1 143.6(3) . . ?
Ag1A Ag4 Ag1 5.0(6) . . ?
N11 Ag4 Ag1 80.7(2) . . ?
S1 Ag4 Ag1 49.76(11) . . ?
Ag1' Ag4 Ag1 6.5(4) . . ?
O7W Ag4 Ag2 142(2) . . ?
O8W Ag4 Ag2 162.1(16) . . ?
O4W Ag4 Ag2 144.9(10) . . ?
O3 Ag4 Ag2 69.9(3) . . ?
Ag1A Ag4 Ag2 78.7(5) . . ?
N11 Ag4 Ag2 77.4(2) . . ?
S1 Ag4 Ag2 49.19(11) . . ?
Ag1' Ag4 Ag2 74.7(5) . . ?
Ag1 Ag4 Ag2 77.46(13) . . ?
O7W Ag4 Ag2' 145(2) . . ?
O8W Ag4 Ag2' 158.5(16) . . ?
O4W Ag4 Ag2' 144.0(11) . . ?
O3 Ag4 Ag2' 67.3(5) . . ?
Ag1A Ag4 Ag2' 80.7(7) . . ?
N11 Ag4 Ag2' 81.1(5) . . ?
S1 Ag4 Ag2' 47.8(5) . . ?
Ag1' Ag4 Ag2' 76.8(7) . . ?
Ag1 Ag4 Ag2' 79.1(4) . . ?
Ag2 Ag4 Ag2' 3.9(5) . . ?
O7W Ag4 Ag6 136(2) . . ?
O8W Ag4 Ag6 87.6(17) . . ?
O4W Ag4 Ag6 106.5(10) . . ?
O3 Ag4 Ag6 75.5(3) . . ?
Ag1A Ag4 Ag6 89.4(6) . . ?
N11 Ag4 Ag6 156.64(17) . . ?
S1 Ag4 Ag6 47.63(8) . . ?
Ag1' Ag4 Ag6 89.9(5) . . ?
Ag1 Ag4 Ag6 84.45(9) . . ?
Ag2 Ag4 Ag6 81.86(9) . . ?
Ag2' Ag4 Ag6 78.4(4) . . ?
O13 Ag5 N7 99.7(8) . . ?
O13 Ag5 Ag2' 139.6(9) . . ?
N7 Ag5 Ag2' 76.0(5) . . ?
O13 Ag5 Ag2 141.5(8) . . ?
N7 Ag5 Ag2 77.8(2) . . ?
Ag2' Ag5 Ag2 2.6(6) . . ?
O13 Ag5 Ag3' 143.9(10) . . ?
N7 Ag5 Ag3' 72.7(6) . . ?
Ag2' Ag5 Ag3' 74.2(7) . . ?
Ag2 Ag5 Ag3' 72.7(5) . . ?
O13 Ag5 Ag3 146.9(8) . . ?
N7 Ag5 Ag3 73.5(2) . . ?
Ag2' Ag5 Ag3 71.4(5) . . ?
Ag2 Ag5 Ag3 69.96(13) . . ?
Ag3' Ag5 Ag3 3.0(6) . . ?
S1 Ag6 S1 170.38(19) . 3_655 ?
S1 Ag6 Ag4 121.35(10) . 3_655 ?
S1 Ag6 Ag4 54.06(9) 3_655 3_655 ?
S1 Ag6 Ag4 54.06(9) . . ?
S1 Ag6 Ag4 121.35(10) 3_655 . ?
Ag4 Ag6 Ag4 133.20(10) 3_655 . ?
S1 Ag6 Ag7 122.06(19) . . ?
S1 Ag6 Ag7 51.71(19) 3_655 . ?
Ag4 Ag6 Ag7 85.57(19) 3_655 . ?
Ag4 Ag6 Ag7 69.90(17) . . ?
S1 Ag6 Ag7 51.71(19) . 3_655 ?
S1 Ag6 Ag7 122.06(19) 3_655 3_655 ?
Ag4 Ag6 Ag7 69.90(17) 3_655 3_655 ?
Ag4 Ag6 Ag7 85.57(19) . 3_655 ?
Ag7 Ag6 Ag7 116.0(3) . 3_655 ?
O2W Ag7 O8W 37.3(18) . . ?
O2W Ag7 O11 101.5(11) . . ?
O8W Ag7 O11 71.7(17) . . ?
O2W Ag7 S1 149.1(11) . 3_655 ?
O8W Ag7 S1 129.0(17) . 3_655 ?
O11 Ag7 S1 93.3(6) . 3_655 ?
O2W Ag7 Ag1 158.2(11) . 3_655 ?
O8W Ag7 Ag1 135.3(17) . 3_655 ?
O11 Ag7 Ag1 63.9(5) . 3_655 ?
S1 Ag7 Ag1 52.2(2) 3_655 3_655 ?
O2W Ag7 Ag3 118.7(11) . 3_655 ?
O8W Ag7 Ag3 142.3(17) . 3_655 ?
O11 Ag7 Ag3 139.7(6) . 3_655 ?
S1 Ag7 Ag3 50.6(2) 3_655 3_655 ?
Ag1 Ag7 Ag3 78.0(3) 3_655 3_655 ?
O2W Ag7 Ag3' 116.6(12) . 3_655 ?
O8W Ag7 Ag3' 138.5(17) . 3_655 ?
O11 Ag7 Ag3' 141.4(9) . 3_655 ?
S1 Ag7 Ag3' 50.4(6) 3_655 3_655 ?
Ag1 Ag7 Ag3' 80.9(6) 3_655 3_655 ?
Ag3 Ag7 Ag3' 4.1(6) 3_655 3_655 ?
O2W Ag7 Ag1' 160.1(12) . 3_655 ?
O8W Ag7 Ag1' 137.7(18) . 3_655 ?
O11 Ag7 Ag1' 66.4(8) . 3_655 ?
S1 Ag7 Ag1' 50.5(6) 3_655 3_655 ?
Ag1 Ag7 Ag1' 2.5(7) 3_655 3_655 ?
Ag3 Ag7 Ag1' 75.5(6) 3_655 3_655 ?
Ag3' Ag7 Ag1' 78.4(8) 3_655 3_655 ?
O2W Ag7 Ag1A 159.9(11) . 3_655 ?
O8W Ag7 Ag1A 131.8(18) . 3_655 ?
O11 Ag7 Ag1A 61.4(7) . 3_655 ?
S1 Ag7 Ag1A 48.9(4) 3_655 3_655 ?
Ag1 Ag7 Ag1A 5.8(5) 3_655 3_655 ?
Ag3 Ag7 Ag1A 79.4(5) 3_655 3_655 ?
Ag3' Ag7 Ag1A 82.0(7) 3_655 3_655 ?
Ag1' Ag7 Ag1A 6.9(6) 3_655 3_655 ?
O2W Ag7 Ag6 109.7(11) . . ?
O8W Ag7 Ag6 83.4(16) . . ?
O11 Ag7 Ag6 81.2(6) . . ?
S1 Ag7 Ag6 45.8(2) 3_655 . ?
Ag1 Ag7 Ag6 85.1(3) 3_655 . ?
Ag3 Ag7 Ag6 83.0(3) 3_655 . ?
Ag3' Ag7 Ag6 80.4(7) 3_655 . ?
Ag1' Ag7 Ag6 84.9(8) 3_655 . ?
Ag1A Ag7 Ag6 79.6(4) 3_655 . ?
Ag3 S1 Ag2 100.0(2) . . ?
Ag3 S1 Ag1 95.7(2) . . ?
Ag2 S1 Ag1 102.85(19) . . ?
Ag3 S1 Ag1A 104.9(5) . . ?
Ag2 S1 Ag1A 96.3(7) . . ?
Ag1 S1 Ag1A 10.3(4) . . ?
Ag3 S1 Ag2' 96.8(6) . . ?
Ag2 S1 Ag2' 6.8(5) . . ?
Ag1 S1 Ag2' 109.2(5) . . ?
Ag1A S1 Ag2' 102.9(9) . . ?
Ag3 S1 Ag3' 5.8(7) . . ?
Ag2 S1 Ag3' 98.4(7) . . ?
Ag1 S1 Ag3' 101.6(7) . . ?
Ag1A S1 Ag3' 110.6(8) . . ?
Ag2' S1 Ag3' 94.6(9) . . ?
Ag3 S1 Ag6 119.17(19) . . ?
Ag2 S1 Ag6 115.88(17) . . ?
Ag1 S1 Ag6 119.5(2) . . ?
Ag1A S1 Ag6 117.0(7) . . ?
Ag2' S1 Ag6 113.2(6) . . ?
Ag3' S1 Ag6 115.6(7) . . ?
Ag3 S1 Ag1' 96.8(11) . . ?
Ag2 S1 Ag1' 95.2(6) . . ?
Ag1 S1 Ag1' 7.7(6) . . ?
Ag1A S1 Ag1' 8.5(8) . . ?
Ag2' S1 Ag1' 101.5(8) . . ?
Ag3' S1 Ag1' 102.6(13) . . ?
Ag6 S1 Ag1' 124.6(8) . . ?
Ag3 S1 Ag7 68.5(3) . 3_655 ?
Ag2 S1 Ag7 161.6(3) . 3_655 ?
Ag1 S1 Ag7 65.5(3) . 3_655 ?
Ag1A S1 Ag7 74.0(7) . 3_655 ?
Ag2' S1 Ag7 162.9(6) . 3_655 ?
Ag3' S1 Ag7 71.6(7) . 3_655 ?
Ag6 S1 Ag7 82.5(3) . 3_655 ?
Ag1' S1 Ag7 72.8(8) . 3_655 ?
Ag3 S1 Ag4 162.3(2) . . ?
Ag2 S1 Ag4 72.24(14) . . ?
Ag1 S1 Ag4 71.30(18) . . ?
Ag1A S1 Ag4 61.4(4) . . ?
Ag2' S1 Ag4 77.1(5) . . ?
Ag3' S1 Ag4 166.0(7) . . ?
Ag6 S1 Ag4 78.30(11) . . ?
Ag1' S1 Ag4 68.7(11) . . ?
Ag7 S1 Ag4 114.3(3) 3_655 . ?
C1 N1 C5 120.0 . . ?
C1 N1 Ag1' 115.9(13) . . ?
C5 N1 Ag1' 123.0(12) . . ?
C1 N1 Ag1 120.9(5) . . ?
C5 N1 Ag1 116.2(5) . . ?
Ag1' N1 Ag1 8.8(6) . . ?
C1 N1 Ag1A 109.7(7) . . ?
C5 N1 Ag1A 126.8(8) . . ?
Ag1' N1 Ag1A 9.5(9) . . ?
Ag1 N1 Ag1A 11.2(4) . . ?
C2 C1 N1 120.0 . . ?
C2 C1 N12 123.4(9) . . ?
N1 C1 N12 116.5(9) . . ?
C1 C2 C3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C3 C4 C5 120.0 . . ?
N2 C5 C4 121.8(8) . . ?
N2 C5 N1 118.2(8) . . ?
C4 C5 N1 120.0 . . ?
C5 N2 C7 120.8(11) . . ?
C5 N2 C6 117.6(13) . . ?
C7 N2 C6 119.6(13) . . ?
C7 N3 C11 120.0 . . ?
N2 C7 N3 115.1(8) . . ?
N2 C7 C8 124.8(8) . . ?
N3 C7 C8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C8 C9 C10 120.0 . . ?
C11 C10 C9 120.0 . . ?
N4 C11 C10 125.4(8) . . ?
N4 C11 N3 114.6(8) . . ?
C10 C11 N3 120.0 . . ?
C13 N4 C11 120.4(11) . . ?
C13 N4 C12 117.8(13) . . ?
C11 N4 C12 120.5(13) . . ?
C13 N5 C17 120.0 . . ?
C13 N5 Ag3' 123.6(9) . . ?
C17 N5 Ag3' 112.2(8) . . ?
C13 N5 Ag3 118.9(5) . . ?
C17 N5 Ag3 118.2(5) . . ?
Ag3' N5 Ag3 6.4(8) . . ?
N4 C13 N5 116.5(8) . . ?
N4 C13 C14 123.3(8) . . ?
N5 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C14 C15 C16 120.0 . . ?
C17 C16 C15 120.0 . . ?
N6 C17 C16 125.1(8) . . ?
N6 C17 N5 114.9(8) . . ?
C16 C17 N5 120.0 . . ?
C19 N6 C17 123.3(11) . . ?
C19 N6 C18 120.2(12) . . ?
C17 N6 C18 116.2(12) . . ?
C19 N7 C23 120.0 . . ?
C19 N7 Ag5 112.9(4) . . ?
C23 N7 Ag5 103.0(4) . . ?
N6 C19 C20 124.7(8) . . ?
N6 C19 N7 115.3(8) . . ?
C20 C19 N7 120.0 . . ?
C21 C20 C19 120.0 . . ?
C20 C21 C22 120.0 . . ?
C21 C22 C23 120.0 . . ?
N8 C23 C22 125.2(9) . . ?
N8 C23 N7 114.5(8) . . ?
C22 C23 N7 120.0 . . ?
C25 N8 C23 122.4(12) . . ?
C25 N8 C24 116.8(13) . . ?
C23 N8 C24 119.8(13) . . ?
C25 N9 C29 120.0 . . ?
C25 N9 Ag2' 113.5(7) . . ?
C29 N9 Ag2' 123.8(7) . . ?
C25 N9 Ag2 120.8(5) . . ?
C29 N9 Ag2 117.4(5) . . ?
Ag2' N9 Ag2 7.6(6) . . ?
N8 C25 N9 115.7(8) . . ?
N8 C25 C26 124.3(8) . . ?
N9 C25 C26 120.0 . . ?
C27 C26 C25 120.0 . . ?
C28 C27 C26 120.0 . . ?
C27 C28 C29 120.0 . . ?
N10 C29 C28 123.1(8) . . ?
N10 C29 N9 116.8(8) . . ?
C28 C29 N9 120.0 . . ?
C29 N10 C31 120.8(11) . . ?
C29 N10 C30 119.2(13) . . ?
C31 N10 C30 119.9(14) . . ?
C31 N11 C35 120.0 . . ?
C31 N11 Ag4 104.4(4) . . ?
C35 N11 Ag4 105.5(4) . . ?
N10 C31 C32 124.0(8) . . ?
N10 C31 N11 115.8(8) . . ?
C32 C31 N11 120.0 . . ?
C31 C32 C33 120.0 . . ?
C32 C33 C34 120.0 . . ?
C35 C34 C33 120.0 . . ?
N12 C35 C34 126.5(9) . . ?
N12 C35 N11 113.5(9) . . ?
C34 C35 N11 120.0 . . ?
C35 N12 C1 120.5(12) . . ?
C35 N12 C36 120.8(17) . . ?
C1 N12 C36 115.2(14) . . ?
O1 S2 O2 114.4(8) . . ?
O1 S2 O3 114.4(8) . . ?
O2 S2 O3 114.6(8) . . ?
O1 S2 C37 103.7(8) . . ?
O2 S2 C37 104.7(7) . . ?
O3 S2 C37 103.2(8) . . ?
S2 O3 Ag4 135.1(9) . . ?
F12 C37 F11 111.0(13) . . ?
F12 C37 F13 111.3(13) . . ?
F11 C37 F13 110.3(12) . . ?
F12 C37 S2 108.1(11) . . ?
F11 C37 S2 107.9(12) . . ?
F13 C37 S2 108.1(11) . . ?
O6 S3 O4 117.0(14) . . ?
O6 S3 O5 116.2(14) . . ?
O4 S3 O5 115.0(13) . . ?
O6 S3 C38 98(2) . . ?
O4 S3 C38 101.6(17) . . ?
O5 S3 C38 105(2) . . ?
F21 C38 F22 108(2) . . ?
F21 C38 F23 108(2) . . ?
F22 C38 F23 107(2) . . ?
F21 C38 S3 112(2) . . ?
F22 C38 S3 110(2) . . ?
F23 C38 S3 112(3) . . ?
O6' S3' O5' 111.7(16) . . ?
O6' S3' O4' 111.1(17) . . ?
O5' S3' O4' 110.5(16) . . ?
O6' S3' C38' 107(2) . . ?
O5' S3' C38' 112(3) . . ?
O4' S3' C38' 104(3) . . ?
F21' C38' F22' 109(2) . . ?
F21' C38' F23' 109(2) . . ?
F22' C38' F23' 108(2) . . ?
F21' C38' S3' 112(3) . . ?
F22' C38' S3' 109(3) . . ?
F23' C38' S3' 110(3) . . ?
O9 S4 O7 116.9(13) . . ?
O9 S4 O8 115.7(13) . . ?
O7 S4 O8 115.2(13) . . ?
O9 S4 C39 100.8(15) . . ?
O7 S4 C39 100.9(19) . . ?
O8 S4 C39 104(3) . . ?
F31 C39 F32 105.2(18) . . ?
F31 C39 F33 105.3(18) . . ?
F32 C39 F33 104.7(18) . . ?
F31 C39 S4 113.9(17) . . ?
F32 C39 S4 113.4(16) . . ?
F33 C39 S4 113.5(17) . . ?
S5 S5 O11 75.0(16) 3_655 3_655 ?
S5 S5 O11 69.2(16) 3_655 . ?
O11 S5 O11 129.5(16) 3_655 . ?
S5 S5 O10 175.5(16) 3_655 . ?
O11 S5 O10 102.2(18) 3_655 . ?
O11 S5 O10 110.9(18) . . ?
S5 S5 C40 77.3(4) 3_655 . ?
O11 S5 C40 103.6(11) 3_655 . ?
O11 S5 C40 101.8(9) . . ?
O10 S5 C40 106.9(14) . . ?
S5 O11 S5 35.9(9) 3_655 . ?
S5 O11 Ag7 148.0(14) 3_655 . ?
S5 O11 Ag7 130.3(12) . . ?
F41 C40 F41 139(6) 3_655 . ?
F41 C40 F43 126(5) 3_655 . ?
F41 C40 F43 26(7) . . ?
F41 C40 F43 26(7) 3_655 3_655 ?
F41 C40 F43 126(5) . 3_655 ?
F43 C40 F43 126(8) . 3_655 ?
F41 C40 F42 80(5) 3_655 3_655 ?
F41 C40 F42 86(4) . 3_655 ?
F43 C40 F42 106(6) . 3_655 ?
F43 C40 F42 54(7) 3_655 3_655 ?
F41 C40 F42 86(4) 3_655 . ?
F41 C40 F42 80(5) . . ?
F43 C40 F42 54(7) . . ?
F43 C40 F42 106(6) 3_655 . ?
F42 C40 F42 139(4) 3_655 . ?
F41 C40 S5 121(3) 3_655 3_655 ?
F41 C40 S5 99(3) . 3_655 ?
F43 C40 S5 109(4) . 3_655 ?
F43 C40 S5 123(4) 3_655 3_655 ?
F42 C40 S5 104(2) 3_655 3_655 ?
F42 C40 S5 115(2) . 3_655 ?
F41 C40 S5 99(3) 3_655 . ?
F41 C40 S5 121(3) . . ?
F43 C40 S5 123(4) . . ?
F43 C40 S5 109(4) 3_655 . ?
F42 C40 S5 115(2) 3_655 . ?
F42 C40 S5 104(2) . . ?
S5 C40 S5 25.5(7) 3_655 . ?
F43 F41 C40 97(10) . . ?
F43 F41 F42 40(10) . . ?
C40 F41 F42 56(3) . . ?
F43 F41 F42 133(10) . 3_655 ?
C40 F41 F42 53(3) . 3_655 ?
F42 F41 F42 101(3) . 3_655 ?
F43 F42 C40 61(5) . . ?
F43 F42 F41 18(5) . . ?
C40 F42 F41 44(2) . . ?
F43 F42 F41 95(6) . 3_655 ?
C40 F42 F41 41(2) . 3_655 ?
F41 F42 F41 79(3) . 3_655 ?
F41 F43 F42 122(10) . . ?
F41 F43 C40 58(10) . . ?
F42 F43 C40 64(10) . . ?
C41 O13 Ag5 136(3) . . ?
O13 C41 O13 140(5) . 3_655 ?
O4W O2W O8W 51(3) . . ?
O4W O2W Ag7 132(3) . . ?
O8W O2W Ag7 84(3) . . ?
O8W O4W O2W 70(4) . . ?
O8W O4W O10W 108(5) . . ?
O2W O4W O10W 90(4) . . ?
O8W O4W O7W 70(4) . . ?
O2W O4W O7W 139(4) . . ?
O10W O4W O7W 109(4) . . ?
O8W O4W Ag4 64(4) . . ?
O2W O4W Ag4 117(3) . . ?
O10W O4W Ag4 143(4) . . ?
O7W O4W Ag4 33.8(18) . . ?
O3W O5W O9W 95(8) . . ?
O3W O5W O6W 136(9) . . ?
O9W O5W O6W 57(5) . . ?
O9W O6W O5W 56(4) . . ?
O9W O6W O10W 152(6) . . ?
O5W O6W O10W 97(5) . . ?
Ag4 O7W O8W 90(3) . . ?
Ag4 O7W O4W 103(3) . . ?
O8W O7W O4W 39(2) . . ?
O4W O8W O2W 59(4) . . ?
O4W O8W O7W 71(4) . . ?
O2W O8W O7W 130(5) . . ?
O4W O8W Ag4 89(4) . . ?
O2W O8W Ag4 128(4) . . ?
O7W O8W Ag4 40(2) . . ?
O4W O8W Ag7 115(5) . . ?
O2W O8W Ag7 59(3) . . ?
O7W O8W Ag7 156(4) . . ?
Ag4 O8W Ag7 116(3) . . ?
O5W O9W O6W 67(5) . . ?
O5W O9W O9W 167(5) . 3_755 ?
O6W O9W O9W 100(4) . 3_755 ?
O4W O10W O6W 149(6) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         2.505
_refine_diff_density_min         -4.896
_refine_diff_density_rms         0.354
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Methanol DCM Ether'
_chemical_properties_physical    Light-sensitive
_database_code_depnum_ccdc_archive 'CCDC 1006830'
