# Electronic Supplementary Material (ESI) for CrystEngComm.
# 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_shelx
_audit_creation_date             2013-08-19
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C11 H9 Ag2 N2 O4'
_chemical_formula_sum            'C11 H9 Ag2 N2 O4'
_chemical_formula_weight         448.94
_chemical_melting_point          ?
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'
Ag Ag -0.8971 1.1015 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   6.483(2)
_cell_length_b                   9.222(4)
_cell_length_c                   10.555(3)
_cell_angle_alpha                64.50
_cell_angle_beta                 81.417(4)
_cell_angle_gamma                80.98
_cell_volume                     560.1(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    173
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    3.507
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.662
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             430
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0350
_diffrn_reflns_av_unetI/netI     0.0435
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4516
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.20
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                1848
_reflns_number_total             2034
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.134
_refine_diff_density_min         -0.840
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     174
_refine_ls_number_reflns         2034
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0270
_refine_ls_restrained_S_all      1.102
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0237P)²+1.0802P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0651
_refine_ls_wR_factor_ref         0.0689
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1B(H1BA), C4(H4), C9(H9)
2.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.26728(5) 1.00963(4) 0.12617(3) 0.02101(12) Uani 1 1 d . . .
Ag2 Ag -0.16790(5) 0.86067(4) 0.23142(3) 0.01955(12) Uani 1 1 d . . .
O2 O 0.1529(4) 0.7656(3) 0.1371(3) 0.0193(6) Uani 1 1 d . . .
O1 O 0.0999(5) 0.8447(3) -0.0903(3) 0.0211(6) Uani 1 1 d . . .
O4 O 0.6967(5) 0.5897(3) 0.2624(3) 0.0232(7) Uani 1 1 d . . .
O3 O 0.5923(4) 0.8266(3) 0.0949(3) 0.0169(6) Uani 1 1 d . . .
N2 N -0.2726(5) 0.9503(4) 0.6783(3) 0.0151(7) Uani 1 1 d . . .
N1 N -0.2222(5) 0.8924(4) 0.4373(3) 0.0138(7) Uani 1 1 d . . .
C1 C -0.2039(7) 0.5985(5) 0.5802(4) 0.0205(9) Uani 1 1 d . . .
H1A H -0.1904 0.5990 0.4882 0.031 Uiso 1 1 calc R . .
H1B H -0.3253 0.5467 0.6340 0.031 Uiso 1 1 calc R . .
H1C H -0.0811 0.5408 0.6273 0.031 Uiso 1 1 calc R . .
C1A C 0.6151(6) 0.6724(4) 0.1511(4) 0.0133(8) Uani 1 1 d . . .
C1B C -0.2522(6) 0.8008(5) 0.6849(4) 0.0161(8) Uani 1 1 d . . .
H1BA H -0.2550 0.7141 0.7731 0.019 Uiso 1 1 calc R . .
C2 C -0.2981(6) 1.2420(4) 0.5428(4) 0.0172(8) Uani 1 1 d . . .
H2A H -0.4315 1.2598 0.5901 0.026 Uiso 1 1 calc R . .
H2B H -0.2919 1.3194 0.4461 0.026 Uiso 1 1 calc R . .
H2C H -0.1881 1.2538 0.5881 0.026 Uiso 1 1 calc R . .
C3 C 0.1910(6) 0.7586(4) 0.0189(4) 0.0132(8) Uani 1 1 d . . .
C4 C 0.3178(6) 0.5431(4) -0.0651(4) 0.0139(8) Uani 1 1 d . . .
H4 H 0.1946 0.5726 -0.1094 0.017 Uiso 1 1 calc R . .
C6 C 0.3580(6) 0.6280(4) 0.0085(4) 0.0122(7) Uani 1 1 d . . .
C7 C 0.5443(6) 0.5848(4) 0.0750(4) 0.0128(7) Uani 1 1 d . . .
C9 C -0.2447(6) 1.0434(5) 0.4305(4) 0.0145(8) Uani 1 1 d . . .
H9 H -0.2419 1.1300 0.3422 0.017 Uiso 1 1 calc R . .
C10 C -0.2716(5) 1.0752(5) 0.5490(4) 0.0125(8) Uani 1 1 d . . .
C14 C -0.2271(6) 0.7690(5) 0.5663(4) 0.0143(8) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag2 3.5621(11) 2_575 ?
Ag1 Ag2 3.1697(9) . ?
Ag1 O2 2.429(3) . ?
Ag1 O1 2.538(3) 2_575 ?
Ag1 O3 2.560(3) . ?
Ag1 O3 2.306(3) 2_675 ?
Ag1 N2 2.254(3) 2_576 ?
Ag2 Ag1 3.5621(11) 2_575 ?
Ag2 O2 2.377(3) . ?
Ag2 O1 2.548(3) 2_575 ?
Ag2 O4 2.649(3) 1_455 ?
Ag2 O3 2.409(3) 1_455 ?
Ag2 N1 2.285(3) . ?
O2 C3 1.262(5) . ?
O1 Ag1 2.538(3) 2_575 ?
O1 Ag2 2.548(3) 2_575 ?
O1 C3 1.255(5) . ?
O4 Ag2 2.649(3) 1_655 ?
O4 C1A 1.236(5) . ?
O3 Ag1 2.306(3) 2_675 ?
O3 Ag2 2.409(3) 1_655 ?
O3 C1A 1.276(5) . ?
N2 Ag1 2.254(3) 2_576 ?
N2 C1B 1.336(5) . ?
N2 C10 1.355(5) . ?
N1 C9 1.349(5) . ?
N1 C14 1.347(5) . ?
C1 C14 1.499(5) . ?
C1A C7 1.515(5) . ?
C1B C14 1.385(6) . ?
C2 C10 1.494(5) . ?
C3 C6 1.518(5) . ?
C4 C6 1.390(5) . ?
C4 C7 1.396(5) 2_665 ?
C6 C7 1.404(5) . ?
C7 C4 1.396(5) 2_665 ?
C9 C10 1.384(5) . ?

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
Ag2 Ag1 Ag2 90.618(15) . 2_575 ?
O2 Ag1 Ag2 48.02(7) . . ?
O2 Ag1 Ag2 79.59(7) . 2_575 ?
O2 Ag1 O1 91.71(10) . 2_575 ?
O2 Ag1 O3 71.63(9) . . ?
O1 Ag1 Ag2 51.59(7) 2_575 . ?
O1 Ag1 Ag2 70.71(6) 2_575 2_575 ?
O1 Ag1 O3 157.46(9) 2_575 . ?
O3 Ag1 Ag2 118.11(7) . . ?
O3 Ag1 Ag2 42.03(7) 2_675 2_575 ?
O3 Ag1 Ag2 90.93(6) . 2_575 ?
O3 Ag1 Ag2 131.71(7) 2_675 . ?
O3 Ag1 O2 113.45(9) 2_675 . ?
O3 Ag1 O1 94.35(10) 2_675 2_575 ?
O3 Ag1 O3 79.28(10) 2_675 . ?
N2 Ag1 Ag2 153.05(8) 2_576 2_575 ?
N2 Ag1 Ag2 93.13(8) 2_576 . ?
N2 Ag1 O2 121.79(10) 2_576 . ?
N2 Ag1 O1 90.99(10) 2_576 2_575 ?
N2 Ag1 O3 110.54(10) 2_576 . ?
N2 Ag1 O3 124.27(11) 2_576 2_675 ?
Ag1 Ag2 Ag1 89.382(15) . 2_575 ?
O2 Ag2 Ag1 78.52(7) . 2_575 ?
O2 Ag2 Ag1 49.46(7) . . ?
O2 Ag2 O1 92.71(10) . 2_575 ?
O2 Ag2 O4 85.22(10) . 1_455 ?
O2 Ag2 O3 99.54(10) . 1_455 ?
O1 Ag2 Ag1 51.31(7) 2_575 . ?
O1 Ag2 Ag1 69.97(6) 2_575 2_575 ?
O1 Ag2 O4 152.90(9) 2_575 1_455 ?
O4 Ag2 Ag1 83.18(6) 1_455 2_575 ?
O4 Ag2 Ag1 134.58(7) 1_455 . ?
O3 Ag2 Ag1 39.86(6) 1_455 2_575 ?
O3 Ag2 Ag1 128.39(6) 1_455 . ?
O3 Ag2 O1 102.34(9) 1_455 2_575 ?
O3 Ag2 O4 51.77(9) 1_455 1_455 ?
N1 Ag2 Ag1 150.59(8) . 2_575 ?
N1 Ag2 Ag1 96.61(8) . . ?
N1 Ag2 O2 126.48(11) . . ?
N1 Ag2 O1 91.50(10) . 2_575 ?
N1 Ag2 O4 111.42(10) . 1_455 ?
N1 Ag2 O3 131.32(10) . 1_455 ?
Ag2 O2 Ag1 82.52(9) . . ?
C3 O2 Ag1 110.8(2) . . ?
C3 O2 Ag2 127.6(2) . . ?
Ag1 O1 Ag2 77.10(8) 2_575 2_575 ?
C3 O1 Ag1 132.1(3) . 2_575 ?
C3 O1 Ag2 120.3(2) . 2_575 ?
C1A O4 Ag2 86.1(2) . 1_655 ?
Ag1 O3 Ag1 100.72(10) 2_675 . ?
Ag1 O3 Ag2 98.10(10) 2_675 1_655 ?
Ag2 O3 Ag1 101.66(10) 1_655 . ?
C1A O3 Ag1 125.8(2) . 2_675 ?
C1A O3 Ag1 126.8(2) . . ?
C1A O3 Ag2 96.2(2) . 1_655 ?
C1B N2 Ag1 120.6(3) . 2_576 ?
C1B N2 C10 117.7(3) . . ?
C10 N2 Ag1 121.2(3) . 2_576 ?
C9 N1 Ag2 118.5(2) . . ?
C14 N1 Ag2 124.1(3) . . ?
C14 N1 C9 117.4(3) . . ?
O4 C1A O3 124.0(3) . . ?
O4 C1A C7 117.8(3) . . ?
O3 C1A C7 118.2(3) . . ?
N2 C1B C14 123.0(4) . . ?
O2 C3 C6 117.0(3) . . ?
O1 C3 O2 126.9(4) . . ?
O1 C3 C6 116.1(3) . . ?
C6 C4 C7 122.4(4) . 2_665 ?
C4 C6 C3 117.7(3) . . ?
C4 C6 C7 119.1(3) . . ?
C7 C6 C3 123.1(3) . . ?
C4 C7 C1A 116.5(3) 2_665 . ?
C4 C7 C6 118.4(3) 2_665 . ?
C6 C7 C1A 125.0(3) . . ?
N1 C9 C10 122.9(3) . . ?
N2 C10 C2 117.3(3) . . ?
N2 C10 C9 119.3(4) . . ?
C9 C10 C2 123.4(3) . . ?
N1 C14 C1 119.7(4) . . ?
N1 C14 C1B 119.6(4) . . ?
C1B C14 C1 120.6(3) . . ?

_database_code_depnum_ccdc_archive 'CCDC 943509'
#######################################################################
#
#                 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_shelx
_audit_creation_date             2013-08-09
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H20 Ag4 N2 O8'
_chemical_formula_sum            'C30 H20 Ag4 N2 O8'
_chemical_formula_weight         967.96
_chemical_melting_point          ?
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'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   8.059(2)
_cell_length_b                   10.243(4)
_cell_length_c                   17.378(3)
_cell_angle_alpha                98.88
_cell_angle_beta                 96.736(4)
_cell_angle_gamma                105.14
_cell_volume                     1349.4(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    2.919
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.382
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0795
_diffrn_reflns_av_unetI/netI     0.0859
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            13421
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.09
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5256
_reflns_number_total             6141
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         2.038
_refine_diff_density_min         -2.179
_refine_diff_density_rms         0.277
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         6141
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0408
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0381P)²+4.7860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1080
_refine_ls_wR_factor_ref         0.1134
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C29(H29), C9(H9), C21(H21), C17(H17), C15(H15), C14(H14), C26(H26), C22(H22),
 C10(H10), C16(H16), C28(H28), C27(H27), C3(H3), C1(H1)
2.b Idealised Me refined as rotating group:
 C5(H5a,H5b,H5c), C6(H6a,H6b,H6c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.41580(5) 0.95147(3) 0.41488(2) 0.01719(11) Uani 1 1 d . . .
Ag2 Ag 0.76056(5) 0.90710(4) 0.48301(2) 0.01940(11) Uani 1 1 d . . .
Ag3 Ag 0.57704(6) 0.46079(4) 0.08522(3) 0.02610(12) Uani 1 1 d . . .
Ag4 Ag 0.36040(5) 0.65078(4) 0.06490(3) 0.02464(12) Uani 1 1 d . . .
O1 O 0.5955(5) 1.1393(3) 0.4055(2) 0.0185(8) Uani 1 1 d . . .
O5 O 0.1614(5) 0.4597(4) 0.0619(2) 0.0234(8) Uani 1 1 d . . .
C29 C -0.1402(7) 0.2325(5) -0.1456(3) 0.0219(11) Uani 1 1 d . . .
H29 H -0.0608 0.3171 -0.1449 0.026 Uiso 1 1 calc R . .
C13 C 0.7691(6) 1.4021(5) 0.3592(3) 0.0137(9) Uani 1 1 d . . .
C20 C -0.0208(7) 0.2405(5) -0.0052(3) 0.0177(10) Uani 1 1 d . . .
C12 C 0.8949(6) 1.5296(5) 0.3592(3) 0.0151(10) Uani 1 1 d . . .
C11 C 0.9416(6) 1.6349(5) 0.4291(3) 0.0138(9) Uani 1 1 d . . .
C9 C 0.7340(6) 1.4906(5) 0.4913(3) 0.0164(10) Uani 1 1 d . . .
H9 H 0.6786 1.4805 0.5349 0.020 Uiso 1 1 calc R . .
C25 C -0.1363(6) 0.1705(5) -0.0771(3) 0.0171(10) Uani 1 1 d . . .
C21 C -0.0306(7) 0.1831(5) 0.0606(3) 0.0190(10) Uani 1 1 d . . .
H21 H 0.0442 0.2286 0.1074 0.023 Uiso 1 1 calc R . .
C19 C 0.1240(7) 0.3719(5) -0.0011(3) 0.0183(10) Uani 1 1 d . . .
C30 C -0.2612(6) -0.0176(5) -0.0097(3) 0.0172(10) Uani 1 1 d . . .
C17 C 0.9641(7) 1.5480(5) 0.2887(3) 0.0199(11) Uani 1 1 d . . .
H17 H 1.0464 1.6303 0.2878 0.024 Uiso 1 1 calc R . .
C7 C 0.5650(6) 1.2497(5) 0.4355(3) 0.0163(10) Uani 1 1 d . . .
C8 C 0.6905(6) 1.3832(5) 0.4284(3) 0.0149(9) Uani 1 1 d . . .
C15 C 0.7900(7) 1.3215(5) 0.2221(3) 0.0228(11) Uani 1 1 d . . .
H15 H 0.7565 1.2531 0.1768 0.027 Uiso 1 1 calc R . .
C24 C -0.2554(7) 0.0396(5) -0.0802(3) 0.0183(10) Uani 1 1 d . . .
C14 C 0.7202(7) 1.2991(5) 0.2883(3) 0.0197(10) Uani 1 1 d . . .
H14 H 0.6392 1.2153 0.2875 0.024 Uiso 1 1 calc R . .
C26 C -0.3738(8) -0.0250(5) -0.1515(3) 0.0259(13) Uani 1 1 d . . .
H26 H -0.4504 -0.1119 -0.1550 0.031 Uiso 1 1 calc R . .
C22 C -0.1537(7) 0.0547(5) 0.0580(3) 0.0206(11) Uani 1 1 d . . .
H22 H -0.1609 0.0190 0.1039 0.025 Uiso 1 1 calc R . .
C10 C 0.8595(7) 1.6159(5) 0.4925(3) 0.0181(10) Uani 1 1 d . . .
H10 H 0.8866 1.6861 0.5368 0.022 Uiso 1 1 calc R . .
C16 C 0.9117(7) 1.4467(5) 0.2220(3) 0.0210(11) Uani 1 1 d . . .
H16 H 0.9576 1.4615 0.1764 0.025 Uiso 1 1 calc R . .
C28 C -0.2596(8) 0.1681(6) -0.2116(4) 0.0295(13) Uani 1 1 d . . .
H28 H -0.2636 0.2106 -0.2551 0.035 Uiso 1 1 calc R . .
C31 C -0.3825(6) -0.1578(5) -0.0082(3) 0.0184(10) Uani 1 1 d . . .
C27 C -0.3766(9) 0.0385(6) -0.2149(4) 0.0359(16) Uani 1 1 d . . .
H27 H -0.4567 -0.0045 -0.2607 0.043 Uiso 1 1 calc R . .
N1 N 0.6580(6) 0.7945(4) 0.3500(3) 0.0212(9) Uani 1 1 d . . .
N2 N 0.5833(6) 0.6197(5) 0.2038(3) 0.0221(10) Uani 1 1 d . . .
C3 C 0.5407(7) 0.6689(5) 0.3363(3) 0.0218(11) Uani 1 1 d . . .
H3 H 0.4840 0.6399 0.3769 0.026 Uiso 1 1 calc R . .
C4 C 0.5028(7) 0.5816(5) 0.2625(3) 0.0200(11) Uani 1 1 d . . .
C1 C 0.7010(7) 0.7444(5) 0.2176(3) 0.0228(11) Uani 1 1 d . . .
H1 H 0.7588 0.7720 0.1770 0.027 Uiso 1 1 calc R . .
C2 C 0.7397(7) 0.8341(5) 0.2907(3) 0.0216(11) Uani 1 1 d . . .
C5 C 0.3688(7) 0.4427(5) 0.2484(4) 0.0259(12) Uani 1 1 d . . .
H5A H 0.2786 0.4371 0.2056 0.039 Uiso 1 1 calc R . .
H5B H 0.3191 0.4313 0.2953 0.039 Uiso 1 1 calc R . .
H5C H 0.4235 0.3714 0.2351 0.039 Uiso 1 1 calc R . .
C6 C 0.8730(9) 0.9725(6) 0.3051(4) 0.0316(14) Uani 1 1 d . . .
H6A H 0.8272 1.0413 0.3317 0.047 Uiso 1 1 calc R . .
H6B H 0.9001 0.9950 0.2555 0.047 Uiso 1 1 calc R . .
H6C H 0.9769 0.9698 0.3372 0.047 Uiso 1 1 calc R . .
O8 O -0.4353(5) -0.1703(4) 0.0558(2) 0.0240(8) Uani 1 1 d . . .
O7 O -0.4160(5) -0.2493(4) -0.0692(2) 0.0264(9) Uani 1 1 d . . .
O6 O 0.1982(5) 0.3820(4) -0.0599(2) 0.0253(9) Uani 1 1 d . . .
O2 O 0.4427(5) 1.2565(4) 0.4722(3) 0.0244(8) Uani 1 1 d . . .
C18 C 1.0805(6) 1.7695(5) 0.4364(3) 0.0155(10) Uani 1 1 d . . .
O3 O 1.2169(4) 1.7652(3) 0.4074(2) 0.0186(8) Uani 1 1 d . . .
O4 O 1.0544(5) 1.8762(3) 0.4725(2) 0.0202(8) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1 3.0048(9) 2_676 ?
Ag1 Ag2 2.8533(7) 2_676 ?
Ag1 Ag2 3.0631(9) . ?
Ag1 O1 2.127(3) . ?
Ag1 O3 2.122(3) 1_445 ?
Ag2 Ag1 2.8533(7) 2_676 ?
Ag2 N1 2.364(5) . ?
Ag2 O2 2.317(4) 2_676 ?
Ag2 O4 2.285(3) 2_786 ?
Ag2 O4 2.493(4) 1_545 ?
Ag3 Ag3 3.3696(10) 2_665 ?
Ag3 Ag4 2.8383(8) 2_665 ?
Ag3 Ag4 2.9671(10) . ?
Ag3 N2 2.408(5) . ?
Ag3 O7 2.172(3) 2 ?
Ag3 O6 2.224(4) 2_665 ?
Ag4 Ag3 2.8383(8) 2_665 ?
Ag4 O5 2.171(3) . ?
Ag4 O8 2.161(4) 1_665 ?
O1 C7 1.267(6) . ?
O5 C19 1.254(6) . ?
C29 C25 1.434(7) . ?
C29 C28 1.361(8) . ?
C13 C12 1.429(6) . ?
C13 C8 1.439(7) . ?
C13 C14 1.433(7) . ?
C20 C25 1.430(7) . ?
C20 C21 1.366(7) . ?
C20 C19 1.520(7) . ?
C12 C11 1.433(7) . ?
C12 C17 1.422(8) . ?
C11 C10 1.364(7) . ?
C11 C18 1.509(6) . ?
C9 C8 1.366(7) . ?
C9 C10 1.407(7) . ?
C25 C24 1.419(7) . ?
C21 C22 1.416(7) . ?
C19 O6 1.248(7) . ?
C30 C24 1.437(7) . ?
C30 C22 1.357(7) . ?
C30 C31 1.518(6) . ?
C17 C16 1.373(8) . ?
C7 C8 1.506(6) . ?
C7 O2 1.245(6) . ?
C15 C14 1.364(8) . ?
C15 C16 1.396(7) . ?
C24 C26 1.423(7) . ?
C26 C27 1.365(8) . ?
C28 C27 1.402(8) . ?
C31 O8 1.250(7) . ?
C31 O7 1.252(7) . ?
N1 C3 1.350(7) . ?
N1 C2 1.345(7) . ?
N2 C4 1.327(7) . ?
N2 C1 1.345(7) . ?
C3 C4 1.396(8) . ?
C4 C5 1.509(7) . ?
C1 C2 1.397(8) . ?
C2 C6 1.504(7) . ?
O8 Ag4 2.161(4) 1_445 ?
O7 Ag3 2.172(3) 2 ?
O6 Ag3 2.224(4) 2_665 ?
O2 Ag2 2.317(4) 2_676 ?
C18 O3 1.269(6) . ?
C18 O4 1.253(6) . ?
O3 Ag1 2.122(3) 1_665 ?
O4 Ag2 2.285(3) 2_786 ?
O4 Ag2 2.493(4) 1_565 ?

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
Ag1 Ag1 Ag2 56.089(16) 2_676 . ?
Ag2 Ag1 Ag1 62.99(2) 2_676 2_676 ?
Ag2 Ag1 Ag2 119.08(2) 2_676 . ?
O1 Ag1 Ag1 80.92(11) . 2_676 ?
O1 Ag1 Ag2 92.01(10) . 2_676 ?
O1 Ag1 Ag2 79.19(10) . . ?
O3 Ag1 Ag1 107.30(11) 1_445 2_676 ?
O3 Ag1 Ag2 107.38(10) 1_445 . ?
O3 Ag1 Ag2 89.57(10) 1_445 2_676 ?
O3 Ag1 O1 171.38(15) 1_445 . ?
Ag1 Ag2 Ag1 60.92(2) 2_676 . ?
N1 Ag2 Ag1 66.79(11) . . ?
N1 Ag2 Ag1 127.38(12) . 2_676 ?
N1 Ag2 O4 90.43(15) . 1_545 ?
O2 Ag2 Ag1 72.07(10) 2_676 2_676 ?
O2 Ag2 Ag1 77.69(10) 2_676 . ?
O2 Ag2 N1 92.04(16) 2_676 . ?
O2 Ag2 O4 119.58(13) 2_676 1_545 ?
O4 Ag2 Ag1 74.28(10) 2_786 2_676 ?
O4 Ag2 Ag1 141.39(9) 1_545 2_676 ?
O4 Ag2 Ag1 152.81(9) 1_545 . ?
O4 Ag2 Ag1 104.96(9) 2_786 . ?
O4 Ag2 N1 126.91(15) 2_786 . ?
O4 Ag2 O2 139.31(15) 2_786 2_676 ?
O4 Ag2 O4 76.24(14) 2_786 1_545 ?
Ag4 Ag3 Ag3 56.32(2) 2_665 2_665 ?
Ag4 Ag3 Ag3 52.756(16) . 2_665 ?
Ag4 Ag3 Ag4 109.08(2) 2_665 . ?
N2 Ag3 Ag3 115.84(11) . 2_665 ?
N2 Ag3 Ag4 161.98(11) . 2_665 ?
N2 Ag3 Ag4 65.50(11) . . ?
O7 Ag3 Ag3 99.30(11) 2 2_665 ?
O7 Ag3 Ag4 111.16(12) 2 . ?
O7 Ag3 Ag4 79.31(12) 2 2_665 ?
O7 Ag3 N2 118.70(16) 2 . ?
O7 Ag3 O6 151.15(16) 2 2_665 ?
O6 Ag3 Ag3 75.77(11) 2_665 2_665 ?
O6 Ag3 Ag4 74.38(11) 2_665 2_665 ?
O6 Ag3 Ag4 88.76(11) 2_665 . ?
O6 Ag3 N2 88.09(15) 2_665 . ?
Ag3 Ag4 Ag3 70.92(2) 2_665 . ?
O5 Ag4 Ag3 78.93(11) . . ?
O5 Ag4 Ag3 89.44(11) . 2_665 ?
O8 Ag4 Ag3 84.18(11) 1_665 2_665 ?
O8 Ag4 Ag3 98.33(11) 1_665 . ?
O8 Ag4 O5 173.59(16) 1_665 . ?
C7 O1 Ag1 116.7(3) . . ?
C19 O5 Ag4 116.7(3) . . ?
C28 C29 C25 120.2(5) . . ?
C12 C13 C8 119.5(4) . . ?
C12 C13 C14 118.3(5) . . ?
C14 C13 C8 122.2(4) . . ?
C25 C20 C19 121.9(5) . . ?
C21 C20 C25 119.6(4) . . ?
C21 C20 C19 118.2(5) . . ?
C13 C12 C11 118.8(5) . . ?
C17 C12 C13 118.3(5) . . ?
C17 C12 C11 122.9(4) . . ?
C12 C11 C18 122.7(4) . . ?
C10 C11 C12 120.2(4) . . ?
C10 C11 C18 117.2(4) . . ?
C8 C9 C10 122.5(5) . . ?
C20 C25 C29 121.3(4) . . ?
C24 C25 C29 119.0(5) . . ?
C24 C25 C20 119.7(5) . . ?
C20 C21 C22 120.5(5) . . ?
O5 C19 C20 117.2(5) . . ?
O6 C19 O5 125.6(5) . . ?
O6 C19 C20 117.2(5) . . ?
C24 C30 C31 122.3(5) . . ?
C22 C30 C24 119.3(4) . . ?
C22 C30 C31 118.3(5) . . ?
C16 C17 C12 121.3(4) . . ?
O1 C7 C8 117.0(4) . . ?
O2 C7 O1 125.3(4) . . ?
O2 C7 C8 117.6(4) . . ?
C13 C8 C7 123.2(4) . . ?
C9 C8 C13 118.6(4) . . ?
C9 C8 C7 118.2(4) . . ?
C14 C15 C16 120.3(5) . . ?
C25 C24 C30 119.0(5) . . ?
C25 C24 C26 118.4(5) . . ?
C26 C24 C30 122.4(4) . . ?
C15 C14 C13 121.4(5) . . ?
C27 C26 C24 121.0(5) . . ?
C30 C22 C21 121.8(5) . . ?
C11 C10 C9 120.3(5) . . ?
C17 C16 C15 120.5(5) . . ?
C29 C28 C27 120.9(5) . . ?
O8 C31 C30 115.3(5) . . ?
O8 C31 O7 126.7(4) . . ?
O7 C31 C30 117.9(5) . . ?
C26 C27 C28 120.4(5) . . ?
C3 N1 Ag2 117.5(4) . . ?
C2 N1 Ag2 122.2(4) . . ?
C2 N1 C3 118.4(5) . . ?
C4 N2 Ag3 122.9(3) . . ?
C4 N2 C1 118.1(5) . . ?
C1 N2 Ag3 117.7(4) . . ?
N1 C3 C4 121.5(5) . . ?
N2 C4 C3 120.5(5) . . ?
N2 C4 C5 119.1(5) . . ?
C3 C4 C5 120.4(5) . . ?
N2 C1 C2 122.4(5) . . ?
N1 C2 C1 119.2(5) . . ?
N1 C2 C6 119.2(5) . . ?
C1 C2 C6 121.6(5) . . ?
C31 O8 Ag4 121.0(3) . 1_445 ?
C31 O7 Ag3 127.1(3) . 2 ?
C19 O6 Ag3 133.4(3) . 2_665 ?
C7 O2 Ag2 132.8(3) . 2_676 ?
O3 C18 C11 117.4(4) . . ?
O4 C18 C11 117.5(4) . . ?
O4 C18 O3 125.1(4) . . ?
C18 O3 Ag1 119.1(3) . 1_665 ?
Ag2 O4 Ag2 103.76(13) 2_786 1_565 ?
C18 O4 Ag2 130.4(3) . 2_786 ?
C18 O4 Ag2 124.5(3) . 1_565 ?

_database_code_depnum_ccdc_archive 'CCDC 943511'
#######################################################################
#
#                 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_p
_audit_creation_date             2013-04-26
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C28 H24 Ag4 N4 O8'
_chemical_formula_sum            'C28 H24 Ag4 N4 O8'
_chemical_formula_weight         975.99
_chemical_absolute_configuration unk
_chemical_melting_point          ?
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_H-M_alt        'P c a 21'
_space_group_name_Hall           'P 2c -2ac'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z+1/2'
3 '-x+1/2, y, z+1/2'
4 'x+1/2, -y, z'

_cell_length_a                   13.687(2)
_cell_length_b                   14.880(3)
_cell_length_c                   13.809(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2812.4(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2531
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      23.30
_cell_measurement_theta_min      2.45
_exptl_absorpt_coefficient_mu    2.804
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.305
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.1199
_diffrn_reflns_av_unetI/netI     0.1159
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26285
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.11
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4801
_reflns_number_total             6424
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.824
_refine_diff_density_min         -1.563
_refine_diff_density_rms         0.291
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         6424
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0600
_refine_ls_restrained_S_all      0.999
_refine_ls_shift/su_max          0.072
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0722P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
_refine_ls_wR_factor_ref         0.1496
_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. 
;
_olex2_refinement_description    
;
1. Others
 Fixed Uiso: H14(0.033) H9(0.039) H1(0.03) H11(0.039) H2(0.032) H18(0.037)
 H20(0.033) H21A(0.052) H21B(0.052) H21C(0.052) H23(0.033) H24(0.037)
 H26(0.039) H27(0.043) H29(0.035) H4A(0.053) H4B(0.053) H4C(0.053) H5A(0.058)
 H5B(0.058) H5C(0.058) H8A(0.063) H8B(0.063) H8C(0.063)
 Fixed X: H14(-0.0516) H9(-0.0707) H1(0.1331) H11(0.0722) H2(0.2166) H18(-
 0.0905) H20(-0.1942) H21A(0.2429) H21B(0.1307) H21C(0.1686) H23(0.1938)
 H24(0.1514) H26(0.1588) H27(-0.0822) H29(-0.1074) H4A(0.1891) H4B(0.208)
 H4C(0.1008) H5A(-0.1173) H5B(-0.0642) H5C(-0.1777) H8A(0.1664) H8B(0.0547)
 H8C(0.089)
 Fixed Y: H14(0.4622) H9(0.3094) H1(0.9825) H11(0.8833) H2(0.7879) H18(0.2573)
 H20(1.0601) H21A(0.3869) H21B(0.3663) H21C(0.4645) H23(0.7326) H24(0.477)
 H26(0.5893) H27(1.0034) H29(0.51) H4A(0.2564) H4B(0.2272) H4C(0.2378)
 H5A(0.753) H5B(0.7714) H5C(0.7833) H8A(1.0844) H8B(1.1077) H8C(1.0087)
 Fixed Z: H14(1.0024) H9(0.9737) H1(0.7243) H11(1.2227) H2(0.4742) H18(0.8174)
 H20(0.9435) H21A(0.982) H21B(0.9869) H21C(1.0039) H23(0.6285) H24(0.6064)
 H26(0.7177) H27(0.8328) H29(0.7222) H4A(0.8895) H4B(0.7821) H4C(0.8202)
 H5A(0.6736) H5B(0.575) H5C(0.5829) H8A(0.9533) H8B(0.9527) H8C(0.9344)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.09230(6) 0.82439(5) 1.00861(6) 0.0318(2) Uani 1 1 d . . .
Ag2 Ag -0.08628(6) 0.79803(5) 0.87225(6) 0.0331(2) Uani 1 1 d . . .
Ag3 Ag -0.10268(5) 0.73152(5) 1.07774(6) 0.0313(2) Uani 1 1 d . . .
Ag4 Ag 0.14551(6) 0.64456(5) 0.93564(7) 0.0328(2) Uani 1 1 d . . .
O8 O -0.0930(6) 0.6565(5) 0.8215(7) 0.040(2) Uani 1 1 d . . .
N15 N -0.0973(6) 0.9040(6) 0.7415(7) 0.0285(19) Uani 1 1 d . . .
O2 O 0.1049(6) 0.8643(5) 0.8553(6) 0.0340(17) Uani 1 1 d . . .
O3 O 0.1549(5) 0.6081(4) 1.0914(6) 0.0332(16) Uani 1 1 d . . .
O4 O 0.0760(5) 0.7339(5) 1.1368(6) 0.0291(16) Uani 1 1 d . . .
O5 O -0.0562(6) 0.6217(5) 0.9733(6) 0.0421(19) Uani 1 1 d . . .
O6 O 0.1689(6) 0.7343(4) 0.8071(6) 0.0368(18) Uani 1 1 d . . .
C7 C 0.1433(7) 0.8135(7) 0.7929(8) 0.028(2) Uani 1 1 d . . .
N9 N 0.0862(6) 0.9574(6) 1.1059(7) 0.032(2) Uani 1 1 d . . .
C10 C -0.0763(7) 0.6014(6) 0.8870(8) 0.027(2) Uani 1 1 d . . .
O11 O -0.1363(6) 0.8718(5) 1.1239(5) 0.0347(18) Uani 1 1 d . . .
C14 C -0.0662(7) 0.4413(6) 0.9406(8) 0.028(2) Uani 1 1 d . . .
H14 H -0.0516 0.4622 1.0024 0.033 Uiso 1 1 calc R . .
C15 C -0.0802(7) 0.5012(7) 0.8644(8) 0.026(2) Uani 1 1 d . . .
N16 N 0.1640(6) 0.5149(5) 0.8339(6) 0.0275(19) Uani 1 1 d . . .
C17 C -0.1428(7) 0.9267(6) 1.0559(7) 0.025(2) Uani 1 1 d . . .
O18 O -0.1339(7) 0.9076(6) 0.9676(6) 0.054(2) Uani 1 1 d . . .
C19 C 0.1608(7) 0.8514(6) 0.6930(7) 0.023(2) Uani 1 1 d . . .
C9 C -0.0744(8) 0.3500(7) 0.9226(8) 0.032(2) Uani 1 1 d . . .
H9 H -0.0707 0.3094 0.9737 0.039 Uiso 1 1 calc R . .
C1 C 0.1489(7) 0.9432(7) 0.6743(7) 0.025(2) Uani 1 1 d . . .
H1 H 0.1331 0.9825 0.7243 0.030 Uiso 1 1 calc R . .
C11 C 0.0804(8) 0.9419(7) 1.2009(8) 0.033(2) Uani 1 1 d . . .
H11 H 0.0722 0.8833 1.2227 0.039 Uiso 1 1 calc R . .
C12 C 0.0971(6) 1.0442(7) 1.0779(8) 0.027(2) Uani 1 1 d . . .
C13 C 0.1663(7) 0.3580(6) 0.7935(9) 0.032(2) Uani 1 1 d . . .
C2 C 0.1991(7) 0.8265(6) 0.5242(7) 0.026(2) Uani 1 1 d . . .
H2 H 0.2166 0.7879 0.4742 0.032 Uiso 1 1 calc R . .
C16 C -0.1611(6) 1.0247(6) 1.0800(8) 0.0259(19) Uani 1 1 d . . .
C3 C 0.1699(7) 0.4288(7) 0.8603(7) 0.028(2) Uani 1 1 d . . .
C18 C -0.0880(7) 0.3187(7) 0.8295(8) 0.031(2) Uani 1 1 d . . .
H18 H -0.0905 0.2573 0.8174 0.037 Uiso 1 1 calc R . .
N19 N -0.1576(6) 0.6248(6) 1.1984(7) 0.0293(19) Uani 1 1 d . . .
C20 C -0.1860(6) 1.0823(7) 1.0060(8) 0.028(2) Uani 1 1 d . . .
H20 H -0.1942 1.0601 0.9435 0.033 Uiso 1 1 calc R . .
C21 C 0.1788(8) 0.4099(7) 0.9682(7) 0.035(2) Uani 1 1 d . . .
H21A H 0.2429 0.3869 0.9820 0.052 Uiso 1 1 calc R . .
H21B H 0.1307 0.3663 0.9869 0.052 Uiso 1 1 calc R . .
H21C H 0.1686 0.4645 1.0039 0.052 Uiso 1 1 calc R . .
C22 C -0.0978(7) 0.3794(7) 0.7545(7) 0.024(2) Uani 1 1 d . . .
C23 C 0.1859(8) 0.7937(6) 0.6167(7) 0.027(2) Uani 1 1 d . . .
H23 H 0.1938 0.7326 0.6285 0.033 Uiso 1 1 calc R . .
C24 C 0.1555(7) 0.4624(7) 0.6718(8) 0.030(2) Uani 1 1 d . . .
H24 H 0.1514 0.4770 0.6064 0.037 Uiso 1 1 calc R . .
C26 C 0.1594(8) 0.5301(8) 0.7393(8) 0.032(2) Uani 1 1 d . . .
H26 H 0.1588 0.5893 0.7177 0.039 Uiso 1 1 calc R . .
C27 C -0.0862(8) 0.9895(7) 0.7672(9) 0.035(3) Uani 1 1 d . . .
H27 H -0.0822 1.0034 0.8328 0.043 Uiso 1 1 calc R . .
C28 C 0.1104(7) 0.6568(7) 1.1531(8) 0.026(2) Uani 1 1 d . . .
C29 C -0.0968(7) 0.4697(7) 0.7726(8) 0.029(2) Uani 1 1 d . . .
H29 H -0.1074 0.5100 0.7222 0.035 Uiso 1 1 calc R . .
C4 C 0.1660(9) 0.2611(6) 0.8241(8) 0.035(3) Uani 1 1 d . . .
H4A H 0.1891 0.2564 0.8895 0.053 Uiso 1 1 calc R . .
H4B H 0.2080 0.2272 0.7821 0.053 Uiso 1 1 calc R . .
H4C H 0.1008 0.2378 0.8202 0.053 Uiso 1 1 calc R . .
C5 C -0.1167(9) 0.7898(7) 0.6165(9) 0.039(3) Uani 1 1 d . . .
H5A H -0.1173 0.7530 0.6736 0.058 Uiso 1 1 calc R . .
H5B H -0.0642 0.7714 0.5750 0.058 Uiso 1 1 calc R . .
H5C H -0.1777 0.7833 0.5829 0.058 Uiso 1 1 calc R . .
C6 C -0.1027(7) 0.8868(7) 0.6450(8) 0.029(2) Uani 1 1 d . . .
C8 C 0.1023(8) 1.0630(9) 0.9695(8) 0.042(3) Uani 1 1 d . . .
H8A H 0.1664 1.0844 0.9533 0.063 Uiso 1 1 calc R . .
H8B H 0.0547 1.1077 0.9527 0.063 Uiso 1 1 calc R . .
H8C H 0.0890 1.0087 0.9344 0.063 Uiso 1 1 calc R . .


_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 Ag2 3.1103(12) . ?
Ag1 Ag3 3.1532(12) . ?
Ag1 Ag4 2.9507(12) . ?
Ag1 O2 2.206(8) . ?
Ag1 O4 2.235(8) . ?
Ag1 N9 2.394(9) . ?
Ag2 Ag3 3.0136(15) . ?
Ag2 O8 2.222(8) . ?
Ag2 N15 2.402(9) . ?
Ag2 O18 2.194(8) . ?
Ag3 O4 2.579(7) . ?
Ag3 O5 2.270(7) . ?
Ag3 O11 2.231(7) . ?
Ag3 N19 2.421(9) . ?
Ag4 O3 2.222(8) . ?
Ag4 O6 2.244(7) . ?
Ag4 N16 2.400(8) . ?
O8 C10 1.241(13) . ?
N15 C27 1.329(14) . ?
N15 C6 1.359(14) . ?
O2 C7 1.261(13) . ?
O3 C28 1.272(13) . ?
O4 C28 1.260(12) . ?
O5 C10 1.259(12) . ?
O6 C7 1.245(12) . ?
C7 C19 1.510(14) . ?
N9 C11 1.335(15) . ?
N9 C12 1.355(14) . ?
C10 C15 1.524(14) . ?
O11 C17 1.248(12) . ?
C14 C15 1.393(15) . ?
C14 C9 1.386(13) . ?
C15 C29 1.371(15) . ?
N16 C3 1.334(12) . ?
N16 C26 1.328(13) . ?
C17 O18 1.258(12) . ?
C17 C16 1.516(12) . ?
C19 C1 1.399(14) . ?
C19 C23 1.402(13) . ?
C9 C18 1.379(15) . ?
C1 C16 1.398(14) 2_574 ?
C11 C27 1.374(16) 2_575 ?
C12 C6 1.386(15) 2_575 ?
C12 C8 1.524(16) . ?
C13 C3 1.401(14) . ?
C13 N19 1.343(15) 2_564 ?
C13 C4 1.503(13) . ?
C2 C20 1.392(13) 2_574 ?
C2 C23 1.378(13) . ?
C16 C1 1.398(14) 2_575 ?
C16 C20 1.376(14) . ?
C3 C21 1.522(14) . ?
C18 C22 1.381(15) . ?
N19 C13 1.343(15) 2_565 ?
N19 C24 1.349(13) 2_565 ?
C20 C2 1.392(13) 2_575 ?
C22 C28 1.510(14) 2_564 ?
C22 C29 1.367(14) . ?
C24 N19 1.349(13) 2_564 ?
C24 C26 1.373(15) . ?
C27 C11 1.374(16) 2_574 ?
C28 C22 1.510(14) 2_565 ?
C5 C6 1.508(15) . ?
C6 C12 1.386(15) 2_574 ?

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
Ag2 Ag1 Ag3 57.51(3) . . ?
Ag4 Ag1 Ag2 82.69(3) . . ?
Ag4 Ag1 Ag3 85.11(3) . . ?
O2 Ag1 Ag2 60.9(2) . . ?
O2 Ag1 Ag3 118.3(2) . . ?
O2 Ag1 Ag4 84.08(19) . . ?
O2 Ag1 O4 158.4(3) . . ?
O2 Ag1 N9 108.6(3) . . ?
O4 Ag1 Ag2 108.97(18) . . ?
O4 Ag1 Ag3 53.98(17) . . ?
O4 Ag1 Ag4 75.43(18) . . ?
O4 Ag1 N9 92.9(3) . . ?
N9 Ag1 Ag2 114.6(2) . . ?
N9 Ag1 Ag3 99.4(2) . . ?
N9 Ag1 Ag4 161.9(2) . . ?
Ag3 Ag2 Ag1 61.96(3) . . ?
O8 Ag2 Ag1 110.1(2) . . ?
O8 Ag2 Ag3 89.0(2) . . ?
O8 Ag2 N15 112.5(3) . . ?
N15 Ag2 Ag1 114.9(2) . . ?
N15 Ag2 Ag3 156.7(2) . . ?
O18 Ag2 Ag1 77.1(2) . . ?
O18 Ag2 Ag3 69.9(2) . . ?
O18 Ag2 O8 151.8(4) . . ?
O18 Ag2 N15 86.8(3) . . ?
Ag2 Ag3 Ag1 60.53(3) . . ?
O4 Ag3 Ag1 44.51(17) . . ?
O4 Ag3 Ag2 102.86(17) . . ?
O5 Ag3 Ag1 83.4(2) . . ?
O5 Ag3 Ag2 67.5(2) . . ?
O5 Ag3 O4 86.8(3) . . ?
O5 Ag3 N19 93.0(3) . . ?
O11 Ag3 Ag1 81.4(2) . . ?
O11 Ag3 Ag2 88.68(19) . . ?
O11 Ag3 O4 95.3(3) . . ?
O11 Ag3 O5 155.9(3) . . ?
O11 Ag3 N19 110.7(3) . . ?
N19 Ag3 Ag1 139.3(2) . . ?
N19 Ag3 Ag2 152.4(2) . . ?
N19 Ag3 O4 94.9(3) . . ?
O3 Ag4 Ag1 84.55(17) . . ?
O3 Ag4 O6 154.5(3) . . ?
O3 Ag4 N16 111.4(3) . . ?
O6 Ag4 Ag1 76.46(18) . . ?
O6 Ag4 N16 90.0(3) . . ?
N16 Ag4 Ag1 162.7(2) . . ?
C10 O8 Ag2 112.9(7) . . ?
C27 N15 Ag2 114.9(8) . . ?
C27 N15 C6 116.7(9) . . ?
C6 N15 Ag2 128.1(7) . . ?
C7 O2 Ag1 121.8(6) . . ?
C28 O3 Ag4 118.8(7) . . ?
Ag1 O4 Ag3 81.5(2) . . ?
C28 O4 Ag1 130.7(7) . . ?
C28 O4 Ag3 113.5(6) . . ?
C10 O5 Ag3 135.5(7) . . ?
C7 O6 Ag4 130.3(7) . . ?
O2 C7 C19 117.8(8) . . ?
O6 C7 O2 125.3(10) . . ?
O6 C7 C19 116.9(9) . . ?
C11 N9 Ag1 114.2(8) . . ?
C11 N9 C12 116.8(10) . . ?
C12 N9 Ag1 128.6(7) . . ?
O8 C10 O5 124.8(9) . . ?
O8 C10 C15 119.3(10) . . ?
O5 C10 C15 115.9(10) . . ?
C17 O11 Ag3 114.3(6) . . ?
C9 C14 C15 118.8(10) . . ?
C14 C15 C10 117.8(10) . . ?
C29 C15 C10 122.0(10) . . ?
C29 C15 C14 120.1(10) . . ?
C3 N16 Ag4 128.2(7) . . ?
C26 N16 Ag4 115.8(7) . . ?
C26 N16 C3 115.8(9) . . ?
O11 C17 O18 125.1(9) . . ?
O11 C17 C16 118.4(9) . . ?
O18 C17 C16 116.5(9) . . ?
C17 O18 Ag2 141.1(8) . . ?
C1 C19 C7 120.9(9) . . ?
C1 C19 C23 119.2(9) . . ?
C23 C19 C7 119.8(8) . . ?
C18 C9 C14 120.6(10) . . ?
C16 C1 C19 119.4(10) 2_574 . ?
N9 C11 C27 121.6(11) . 2_575 ?
N9 C12 C6 121.4(10) . 2_575 ?
N9 C12 C8 117.4(10) . . ?
C6 C12 C8 121.2(10) 2_575 . ?
C3 C13 C4 122.5(10) . . ?
N19 C13 C3 120.2(9) 2_564 . ?
N19 C13 C4 117.2(10) 2_564 . ?
C23 C2 C20 119.8(9) . 2_574 ?
C1 C16 C17 120.9(9) 2_575 . ?
C20 C16 C17 118.5(9) . . ?
C20 C16 C1 120.5(9) . 2_575 ?
N16 C3 C13 122.7(9) . . ?
N16 C3 C21 116.7(9) . . ?
C13 C3 C21 120.5(9) . . ?
C9 C18 C22 119.5(9) . . ?
C13 N19 Ag3 125.1(7) 2_565 . ?
C13 N19 C24 116.8(9) 2_565 2_565 ?
C24 N19 Ag3 115.9(7) 2_565 . ?
C16 C20 C2 120.3(10) . 2_575 ?
C18 C22 C28 118.3(9) . 2_564 ?
C29 C22 C18 120.3(9) . . ?
C29 C22 C28 121.4(9) . 2_564 ?
C2 C23 C19 120.7(9) . . ?
N19 C24 C26 121.3(10) 2_564 . ?
N16 C26 C24 123.0(11) . . ?
N15 C27 C11 122.6(11) . 2_574 ?
O3 C28 C22 118.2(9) . 2_565 ?
O4 C28 O3 125.3(10) . . ?
O4 C28 C22 116.6(9) . 2_565 ?
C22 C29 C15 120.5(10) . . ?
N15 C6 C12 120.8(10) . 2_574 ?
N15 C6 C5 116.3(10) . . ?
C12 C6 C5 122.8(10) 2_574 . ?

_database_code_depnum_ccdc_archive 'CCDC 943514'
#######################################################################
#
#                 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_shelx
_audit_creation_date             2013-05-28
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '2(C28 H22 Ag4 N6 O12)'
_chemical_formula_sum            'C56 H44 Ag8 N12 O24'
_chemical_formula_weight         2131.99
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
_atom_type_scat_dispersion_source
H 0.00000 0.00000 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
custom
C 0.00330 0.00160 'Custom 4-Gaussian' custom
Ag -0.89710 1.10150 'Custom 4-Gaussian' custom
O 0.01060 0.00600 'Custom 4-Gaussian' custom
N 0.00610 0.00330 'Custom 4-Gaussian' custom

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y-1/2,z-1/2

_cell_length_a                   7.2517(14)
_cell_length_b                   7.7768(15)
_cell_length_c                   25.608(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.522(4)
_cell_angle_gamma                90
_cell_volume                     1444.1(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    173
_exptl_absorpt_coefficient_mu    2.754
_exptl_crystal_density_diffrn    2.4513
_exptl_crystal_F_000             1025.2430
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0556
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            13821
_diffrn_reflns_theta_full        27.4838
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.06
_diffrn_ambient_temperature      173
_diffrn_measured_fraction_theta_full 0.9967
_diffrn_measured_fraction_theta_max 0.9967
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              10
_reflns_limit_k_min              0
_reflns_limit_l_max              33
_reflns_limit_l_min              0
_reflns_number_gt                2609
_reflns_number_total             3299
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
olex2.refine (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.1270
_refine_diff_density_min         -1.5052
_refine_diff_density_rms         0.2915
_refine_ls_d_res_high            0.7700
_refine_ls_d_res_low             6.6468
_refine_ls_goodness_of_fit_ref   1.0190
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    18
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3299
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0395
_refine_ls_restrained_S_all      1.0190
_refine_ls_shift/su_max          0.0059
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0271P)²+9.3107P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0978
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C1(H1), C12(H12), C10(H10), C4(H4)
2.b Idealised Me refined as rotating group:
 C3(H3a,H3b,H3c), C6(H6a,H6b,H6c)
;
_atom_sites_solution_primary     direct
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_refinement_flags_posn
Ag1 Ag 0.18460(5) 0.29199(5) 0.078826(16) 0.02399(13) Uani 1.000000 .
Ag2 Ag 0.30349(6) 0.96847(5) 0.024501(17) 0.02800(13) Uani 1.000000 .
O1 O 0.2294(5) 0.6081(5) 0.08152(13) 0.0224(8) Uani 1.000000 .
O2 O 0.1354(5) 0.8798(5) 0.08690(15) 0.0274(9) Uani 1.000000 .
O4 O -0.3571(5) 0.8946(5) 0.04973(14) 0.0250(8) Uani 1.000000 .
O3 O -0.1581(5) 0.7051(5) 0.01795(14) 0.0265(8) Uani 1.000000 .
O5 O 0.2534(5) 0.7112(5) 0.20132(15) 0.0311(9) Uani 1.000000 .
O6 O 0.2032(6) 0.4443(5) 0.21772(17) 0.0342(10) Uani 1.000000 .
N1 N -0.1245(6) 0.2595(5) 0.08477(16) 0.0193(9) Uani 1.000000 .
N2 N 0.4957(6) 0.2556(5) 0.08413(17) 0.0203(9) Uani 1.000000 .
C2 C 0.5906(7) 0.1894(7) 0.1238(2) 0.0211(11) Uani 1.000000 .
C3 C 0.4842(8) 0.1133(8) 0.1679(2) 0.0313(13) Uani 1.000000 .
H3a H 0.513(4) 0.174(4) 0.1996(4) 0.047(2) Uiso 1.000000 GR
H3b H 0.3545(8) 0.123(5) 0.1606(8) 0.047(2) Uiso 1.000000 GR
H3c H 0.517(4) -0.0057(16) 0.1719(11) 0.047(2) Uiso 1.000000 GR
C7 C 0.1218(7) 0.7213(7) 0.0960(2) 0.0206(11) Uani 1.000000 .
C8 C -0.0420(7) 0.6726(6) 0.12708(19) 0.0192(10) Uani 1.000000 .
C9 C -0.2192(7) 0.6976(7) 0.1081(2) 0.0220(11) Uani 1.000000 .
C11 C -0.3448(7) 0.5727(7) 0.1857(2) 0.0240(11) Uani 1.000000 .
H11 H -0.4469(7) 0.5380(7) 0.2047(2) 0.0288(14) Uiso 1.000000 R
C14 C -0.2452(7) 0.7705(6) 0.0541(2) 0.0193(10) Uani 1.000000 .
N3 N 0.1560(6) 0.5828(6) 0.19967(17) 0.0239(10) Uani 1.000000 .
C1 C 0.5904(7) 0.3199(6) 0.0439(2) 0.0202(10) Uani 1.000000 .
H1 H 0.5268(7) 0.3638(6) 0.0152(2) 0.0242(13) Uiso 1.000000 R
C12 C -0.1727(8) 0.5477(7) 0.2057(2) 0.0245(11) Uani 1.000000 .
H12 H -0.1553(8) 0.4973(7) 0.2383(2) 0.0294(14) Uiso 1.000000 R
C5 C -0.2144(7) 0.1919(7) 0.12406(19) 0.0202(11) Uani 1.000000 .
C6 C -0.1047(8) 0.1177(8) 0.1679(2) 0.0265(12) Uani 1.000000 .
H6a H 0.015(2) 0.086(5) 0.1556(4) 0.0398(18) Uiso 1.000000 GR
H6b H -0.092(5) 0.2015(19) 0.1952(7) 0.0398(18) Uiso 1.000000 GR
H6c H -0.166(3) 0.018(3) 0.1811(10) 0.0398(18) Uiso 1.000000 GR
C10 C -0.3697(7) 0.6496(7) 0.1373(2) 0.0222(11) Uani 1.000000 .
H10 H -0.4882(7) 0.6689(7) 0.1244(2) 0.0267(13) Uiso 1.000000 R
C4 C -0.2205(7) 0.3222(7) 0.0444(2) 0.0211(11) Uani 1.000000 .
H4 H -0.1582(7) 0.3682(7) 0.0161(2) 0.0253(13) Uiso 1.000000 R
C13 C -0.0249(7) 0.5992(7) 0.1762(2) 0.0221(11) Uani 1.000000 .


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 Ag2 3.0051(7) 1_545
Ag1 O1 2.480(4) .
Ag1 O3 2.484(4) 3_565
Ag1 N1 2.262(4) .
Ag1 N2 2.277(4) .
Ag2 Ag2 3.1628(10) 3_675
Ag2 O2 2.133(4) .
Ag2 O4 2.603(4) 1_655
Ag2 O4 2.216(4) 3_575
O1 C7 1.236(6) .
O2 C7 1.258(6) .
O4 C14 1.265(6) .
O3 C14 1.236(6) .
O5 N3 1.224(6) .
O6 N3 1.220(6) .
N1 C5 1.314(7) .
N1 C4 1.333(7) .
N2 C2 1.325(7) .
N2 C1 1.340(7) .
C2 C3 1.496(7) .
C2 C5 1.414(7) 1_655
C7 C8 1.485(7) .
C8 C9 1.384(7) .
C8 C13 1.385(7) .
C9 C14 1.505(7) .
C9 C10 1.379(7) .
C11 C12 1.358(8) .
C11 C10 1.387(7) .
N3 C13 1.444(7) .
C1 C4 1.371(7) 1_655
C12 C13 1.376(8) .
C5 C6 1.487(7) .

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
O1 Ag1 Ag2 143.57(8) . 1_545
O3 Ag1 Ag2 64.26(9) 3_565 1_545
O3 Ag1 O1 91.57(12) 3_565 .
N1 Ag1 Ag2 103.08(11) . 1_545
N1 Ag1 O1 103.79(13) . .
N1 Ag1 O3 90.03(14) . 3_565
N2 Ag1 Ag2 68.60(11) . 1_545
N2 Ag1 O1 89.55(13) . .
N2 Ag1 O3 97.37(14) . 3_565
N2 Ag1 N1 164.59(15) . .
Ag2 Ag2 Ag1 108.49(2) 3_675 1_565
O2 Ag2 Ag1 75.85(10) . 1_565
O4 Ag2 Ag1 110.15(8) 1_655 1_565
O4 Ag2 Ag1 92.75(10) 3_575 1_565
O4 Ag2 O2 154.64(14) 3_575 .
O4 Ag2 O2 106.76(13) 1_655 .
C7 O1 Ag1 129.2(3) . .
C7 O2 Ag2 120.1(3) . .
C14 O4 Ag2 142.6(3) . 1_455
C14 O4 Ag2 109.0(3) . 3_575
C14 O3 Ag1 135.2(3) . 3_565
C5 N1 Ag1 126.5(3) . .
C4 N1 Ag1 114.7(3) . .
C4 N1 C5 118.7(4) . .
C2 N2 Ag1 127.0(3) . .
C1 N2 Ag1 115.0(3) . .
C1 N2 C2 117.9(4) . .
C3 C2 N2 117.7(5) . .
C5 C2 N2 120.7(5) 1_655 .
C5 C2 C3 121.6(5) 1_655 .
O2 C7 O1 126.3(5) . .
C8 C7 O1 119.3(5) . .
C8 C7 O2 114.4(5) . .
C9 C8 C7 121.4(5) . .
C13 C8 C7 121.7(5) . .
C13 C8 C9 116.8(5) . .
C14 C9 C8 118.9(5) . .
C10 C9 C8 120.6(5) . .
C10 C9 C14 120.4(5) . .
C10 C11 C12 120.7(5) . .
O3 C14 O4 125.4(5) . .
C9 C14 O4 116.4(5) . .
C9 C14 O3 118.2(5) . .
O6 N3 O5 123.2(4) . .
C13 N3 O5 117.7(4) . .
C13 N3 O6 119.1(5) . .
C4 C1 N2 121.1(5) 1_655 .
C13 C12 C11 118.0(5) . .
C2 C5 N1 120.3(5) 1_455 .
C6 C5 N1 117.9(5) . .
C6 C5 C2 121.8(5) . 1_455
C11 C10 C9 120.2(5) . .
C1 C4 N1 121.2(5) 1_455 .
N3 C13 C8 119.2(5) . .
C12 C13 C8 123.7(5) . .
C12 C13 N3 117.0(5) . .

_database_code_depnum_ccdc_archive 'CCDC 943515'
#######################################################################
#
#                 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_p
_audit_creation_date             2013-05-31
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C7 H6 Ag N O2'
_chemical_formula_sum            'C7 H6 Ag N O2'
_chemical_formula_weight         244.00
_chemical_melting_point          ?
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   9.3459(19)
_cell_length_b                   21.924(4)
_cell_length_c                   7.0573(14)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.11(3)
_cell_angle_gamma                90.00
_cell_volume                     1389.2(5)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    2.838
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.333
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0497
_diffrn_reflns_av_unetI/netI     0.0332
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6641
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.36
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                1468
_reflns_number_total             1590
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         0.827
_refine_diff_density_min         -2.199
_refine_diff_density_rms         0.223
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     100
_refine_ls_number_reflns         1590
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0294
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0472P)²+1.3299P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0743
_refine_ls_wR_factor_ref         0.0775
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Riding coordinates:
 C1(H1A,H1B,H1C)
2.b Aromatic/amide H refined with riding coordinates:
 C7(H7), C9(H9), C4(H4)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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 0.81964(2) 0.274532(9) 0.19772(3) 0.01982(12) Uani 1 1 d . . .
O1 O 0.8448(3) 0.17470(9) 0.2470(3) 0.0264(5) Uani 1 1 d . . .
C6 C 0.8452(3) 0.13569(10) 0.1174(4) 0.0133(5) Uani 1 1 d . . .
C7 C 0.8581(3) 0.02172(10) 0.1219(4) 0.0151(5) Uani 1 1 d . . .
H7 H 0.7627 0.0215 0.0356 0.018 Uiso 1 1 calc R . .
C9 C 0.9288(3) -0.03311(10) 0.1857(4) 0.0172(5) Uani 1 1 d . . .
H9 H 0.8810 -0.0698 0.1424 0.021 Uiso 1 1 calc R . .
C11 C 0.9282(3) 0.07717(10) 0.1854(3) 0.0118(5) Uani 1 1 d . . .
N3 N 0.9407(2) 0.28732(11) 0.5453(4) 0.0165(4) Uani 1 1 d . . .
C4 C 0.9709(3) 0.23517(12) 0.6502(5) 0.0181(6) Uani 1 1 d . . .
H4 H 0.9513 0.1981 0.5842 0.022 Uiso 1 1 calc R . .
C5 C 0.9710(3) 0.33970(12) 0.6471(4) 0.0156(5) Uani 1 1 d . . .
C1 C 0.9401(3) 0.39781(12) 0.5337(4) 0.0236(6) Uani 1 1 d . . .
H1A H 0.8729 0.4223 0.5826 0.035 Uiso 1 1 d R . .
H1B H 0.8959 0.3890 0.3967 0.035 Uiso 1 1 d R . .
H1C H 1.0316 0.4196 0.5487 0.035 Uiso 1 1 d R . .
O2 O 0.7800(2) 0.13976(8) -0.0648(3) 0.0231(4) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 Ag1 2.9366(9) 7_655 ?
Ag1 Ag1 3.2448(9) 2_755 ?
Ag1 O1 2.218(2) . ?
Ag1 N3 2.416(2) . ?
Ag1 O2 2.1891(18) 7_655 ?
O1 C6 1.253(3) . ?
C6 C11 1.507(3) . ?
C6 O2 1.264(3) . ?
C7 C9 1.385(3) . ?
C7 C11 1.395(3) . ?
C9 C9 1.387(5) 2_755 ?
C11 C11 1.397(5) 2_755 ?
N3 C4 1.348(4) . ?
N3 C5 1.343(3) . ?
C4 C4 1.362(6) 2_756 ?
C5 C5 1.402(5) 2_756 ?
C5 C1 1.490(4) . ?
O2 Ag1 2.1891(18) 7_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
Ag1 Ag1 Ag1 112.00(3) 7_655 2_755 ?
O1 Ag1 Ag1 77.73(6) . 7_655 ?
O1 Ag1 Ag1 84.61(6) . 2_755 ?
O1 Ag1 N3 87.47(8) . . ?
N3 Ag1 Ag1 66.72(6) . 2_755 ?
N3 Ag1 Ag1 165.17(6) . 7_655 ?
O2 Ag1 Ag1 83.32(5) 7_655 7_655 ?
O2 Ag1 Ag1 112.88(6) 7_655 2_755 ?
O2 Ag1 O1 158.13(8) 7_655 . ?
O2 Ag1 N3 111.05(7) 7_655 . ?
C6 O1 Ag1 125.48(19) . . ?
O1 C6 C11 117.0(2) . . ?
O1 C6 O2 126.6(2) . . ?
O2 C6 C11 116.4(2) . . ?
C9 C7 C11 120.8(2) . . ?
C7 C9 C9 119.82(15) . 2_755 ?
C7 C11 C6 119.0(2) . . ?
C7 C11 C11 119.35(14) . 2_755 ?
C11 C11 C6 121.60(13) 2_755 . ?
C4 N3 Ag1 115.24(18) . . ?
C5 N3 Ag1 127.77(18) . . ?
C5 N3 C4 116.8(2) . . ?
N3 C4 C4 122.02(15) . 2_756 ?
N3 C5 C5 121.19(15) . 2_756 ?
N3 C5 C1 117.6(2) . . ?
C5 C5 C1 121.21(15) 2_756 . ?
C6 O2 Ag1 121.61(15) . 7_655 ?

_database_code_depnum_ccdc_archive 'CCDC 977577'
#######################################################################
#
#                 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_shelx
_audit_creation_date             2013-08-31
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H24 Ag6 N4 O13, 4(H2 O)'
_chemical_formula_sum            'C30 H32 Ag6 N4 O17'
_chemical_formula_weight         1367.82
_chemical_melting_point          ?
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'
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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   16.306(2)
_cell_length_b                   11.578(4)
_cell_length_c                   19.417(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.207(4)
_cell_angle_gamma                90.00
_cell_volume                     3665.5(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    3.225
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.479
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             2632
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0313
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33673
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7546
_reflns_number_total             8372
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         1.149
_refine_diff_density_min         -1.668
_refine_diff_density_rms         0.197
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.182
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         8372
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0298
_refine_ls_restrained_S_all      1.182
_refine_ls_shift/su_max          0.093
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0323P)²+6.9971P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0776
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H3WA,H3WB} of O3W, {H1WA,H1WB} of O1W, {H4WA,H4WB} of O4W
 At 1.5 times of:
  All C(H,H,H) groups, {H3A,H3B} of O3, {H2WA,H2WB} of O2W
2.a Riding coordinates:
 O4W(H4WA,H4WB), O1W(H1WA,H1WB), O3W(H3WA,H3WB)
2.b Free rotating group:
 O2W(H2WA,H2WB)
2.c Rotating group:
 O3(H3A,H3B)
2.d Aromatic/amide H refined with riding coordinates:
 C28(H28), C30(H30), C26(H26), C16(H16), C13(H13), C11(H11), C14(H14), C6(H6),
 C21(H21), C2(H2)
2.e Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C18(H18A,H18B,H18C), C8(H8A,H8B,H8C), C20(H20A,H20B,H20C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Ag2 Ag 0.202095(16) 0.63674(2) 0.379253(14) 0.01851(7) Uani 1 1 d . . .
Ag5 Ag 0.172209(17) 0.88736(3) 0.312699(15) 0.02260(7) Uani 1 1 d . . .
Ag3 Ag 0.355071(16) 0.59959(2) 0.304955(14) 0.01957(7) Uani 1 1 d . . .
Ag4 Ag 0.322177(17) 0.85115(2) 0.385713(14) 0.02101(7) Uani 1 1 d . . .
Ag6 Ag 0.267320(18) 1.10461(3) 0.402053(18) 0.03003(8) Uani 1 1 d . . .
Ag1 Ag 0.229674(18) 0.37085(3) 0.344860(19) 0.03084(8) Uani 1 1 d . . .
O11 O 0.12623(16) 1.0931(2) 0.33124(14) 0.0234(6) Uani 1 1 d . . .
C9 C 0.3427(2) 0.8569(3) 0.23392(19) 0.0164(7) Uani 1 1 d . . .
O4 O 0.25807(16) 0.6126(2) 0.47879(13) 0.0222(6) Uani 1 1 d . . .
C28 C -0.1677(2) 1.1245(3) 0.40067(18) 0.0165(7) Uani 1 1 d . . .
H28 H -0.2247 1.1247 0.4027 0.020 Uiso 1 1 calc R . .
N2 N 0.47949(19) 0.5968(3) 0.24520(16) 0.0190(6) Uani 1 1 d . . .
O5 O 0.13988(16) 0.6368(2) 0.28282(13) 0.0208(5) Uani 1 1 d . . .
O8 O 0.12501(16) 0.8314(2) 0.41866(13) 0.0231(6) Uani 1 1 d . . .
C30 C -0.0361(2) 1.1293(3) 0.45818(18) 0.0161(7) Uani 1 1 d . . .
H30 H -0.0055 1.1347 0.4986 0.019 Uiso 1 1 calc R . .
C25 C 0.0036(2) 1.1203(3) 0.39525(18) 0.0151(7) Uani 1 1 d . . .
O10 O 0.38432(15) 0.8350(2) 0.28689(12) 0.0203(5) Uani 1 1 d . . .
C26 C -0.0431(2) 1.1161(3) 0.33481(18) 0.0155(7) Uani 1 1 d . . .
H26 H -0.0169 1.1115 0.2924 0.019 Uiso 1 1 calc R . .
N1 N 0.10583(19) 0.3647(3) 0.31067(18) 0.0222(7) Uani 1 1 d . . .
O3 O 0.4254(3) 0.8861(4) 0.4810(2) 0.0634(12) Uani 1 1 d . . .
H3A H 0.4211 0.8333 0.5130 0.095 Uiso 1 1 d R . .
H3B H 0.4169 0.9536 0.4999 0.095 Uiso 1 1 d R . .
N4 N 0.04838(19) 0.8790(3) 0.24807(18) 0.0221(7) Uani 1 1 d . . .
O12 O 0.13909(16) 1.1319(2) 0.44299(14) 0.0258(6) Uani 1 1 d . . .
N5 N 0.37975(19) 1.1032(3) 0.33539(17) 0.0202(6) Uani 1 1 d . . .
C27 C -0.1288(2) 1.1186(3) 0.33732(18) 0.0154(7) Uani 1 1 d . . .
O7 O 0.24014(16) 0.8932(2) 0.47099(13) 0.0230(6) Uani 1 1 d . . .
C24 C 0.0958(2) 1.1142(3) 0.38920(19) 0.0174(7) Uani 1 1 d . . .
C29 C -0.1217(2) 1.1302(3) 0.46125(18) 0.0166(7) Uani 1 1 d . . .
O6 O 0.25219(16) 0.5834(2) 0.22415(13) 0.0236(6) Uani 1 1 d . . .
C3 C 0.1778(2) 0.6122(3) 0.22793(18) 0.0167(7) Uani 1 1 d . . .
C23 C 0.2955(2) 1.1615(4) 0.2362(2) 0.0263(8) Uani 1 1 d . . .
H23A H 0.2526 1.1518 0.2694 0.039 Uiso 1 1 calc R . .
H23B H 0.2852 1.1123 0.1973 0.039 Uiso 1 1 calc R . .
H23C H 0.2970 1.2405 0.2213 0.039 Uiso 1 1 calc R . .
C18 C 0.1067(3) 0.9601(5) 0.1436(3) 0.0460(13) Uani 1 1 d . . .
H18A H 0.1538 0.9663 0.1732 0.069 Uiso 1 1 calc R . .
H18B H 0.0927 1.0351 0.1261 0.069 Uiso 1 1 calc R . .
H18C H 0.1189 0.9093 0.1060 0.069 Uiso 1 1 calc R . .
C17 C 0.0360(2) 0.9128(3) 0.1837(2) 0.0240(8) Uani 1 1 d . . .
C10 C 0.3870(2) 0.8593(3) 0.16615(18) 0.0149(6) Uani 1 1 d . . .
C22 C 0.3763(2) 1.1299(3) 0.2683(2) 0.0190(7) Uani 1 1 d . . .
O9 O 0.26710(16) 0.8784(3) 0.23173(14) 0.0270(6) Uani 1 1 d . . .
C15 C 0.1655(2) 0.8647(3) 0.47062(18) 0.0170(7) Uani 1 1 d . . .
C16 C -0.0157(2) 0.8383(3) 0.2837(2) 0.0250(8) Uani 1 1 d . . .
H16 H -0.0080 0.8136 0.3288 0.030 Uiso 1 1 calc R . .
O2 O 0.35821(15) 0.3851(2) 0.34635(14) 0.0220(5) Uani 1 1 d . . .
O1 O 0.37437(17) 0.6427(3) 0.42089(13) 0.0261(6) Uani 1 1 d . . .
O13 O 0.35994(17) 0.3196(3) 0.45412(15) 0.0306(6) Uani 1 1 d . . .
C12 C 0.5128(2) 0.8607(3) 0.10071(17) 0.0136(6) Uani 1 1 d . . .
C13 C 0.4680(2) 0.8646(3) 0.03979(18) 0.0170(7) Uani 1 1 d . . .
H13 H 0.4950 0.8648 -0.0023 0.020 Uiso 1 1 calc R . .
C11 C 0.4726(2) 0.8589(3) 0.16423(17) 0.0139(6) Uani 1 1 d . . .
H11 H 0.5027 0.8573 0.2050 0.017 Uiso 1 1 calc R . .
C14 C 0.3429(2) 0.8653(3) 0.10509(18) 0.0153(7) Uani 1 1 d . . .
H14 H 0.2859 0.8674 0.1064 0.018 Uiso 1 1 calc R . .
C5 C 0.3827(2) 0.6317(3) 0.54178(17) 0.0160(7) Uani 1 1 d . . .
C7 C 0.5512(2) 0.6302(3) 0.27187(19) 0.0191(7) Uani 1 1 d . . .
C1 C 0.3950(2) 0.3554(3) 0.4012(2) 0.0182(7) Uani 1 1 d . . .
C19 C -0.0421(2) 0.9042(3) 0.1522(2) 0.0214(8) Uani 1 1 d . . .
C4 C 0.3352(2) 0.6281(3) 0.47569(19) 0.0170(7) Uani 1 1 d . . .
C6 C 0.4780(2) 0.5690(3) 0.1778(2) 0.0226(8) Uani 1 1 d . . .
H6 H 0.4288 0.5461 0.1577 0.027 Uiso 1 1 calc R . .
C8 C 0.5536(2) 0.6673(4) 0.3458(2) 0.0265(8) Uani 1 1 d . . .
H8A H 0.4990 0.6662 0.3643 0.040 Uiso 1 1 calc R . .
H8B H 0.5755 0.7441 0.3489 0.040 Uiso 1 1 calc R . .
H8C H 0.5877 0.6153 0.3716 0.040 Uiso 1 1 calc R . .
C21 C 0.4525(2) 1.0737(3) 0.3620(2) 0.0234(8) Uani 1 1 d . . .
H21 H 0.4562 1.0558 0.4086 0.028 Uiso 1 1 calc R . .
C2 C 0.0923(2) 0.3324(3) 0.2451(2) 0.0247(8) Uani 1 1 d . . .
H2 H 0.1358 0.3056 0.2187 0.030 Uiso 1 1 calc R . .
C20 C -0.0563(3) 0.9381(5) 0.0792(2) 0.0382(11) Uani 1 1 d . . .
H20A H -0.1100 0.9134 0.0650 0.057 Uiso 1 1 calc R . .
H20B H -0.0158 0.9021 0.0505 0.057 Uiso 1 1 calc R . .
H20C H -0.0522 1.0205 0.0749 0.057 Uiso 1 1 calc R . .
O2W O 0.2884(2) 0.3990(3) 0.13478(17) 0.0358(7) Uani 1 1 d G . .
H2WA H 0.2795 0.4567 0.1607 0.054 Uiso 1 1 d G . .
H2WB H 0.3189 0.4195 0.1015 0.054 Uiso 1 1 d G . .
O4W O 0.1464(2) 1.2022(3) 0.58066(16) 0.0393(8) Uani 1 1 d . . .
H4WA H 0.1850 1.1632 0.5988 0.047 Uiso 1 1 d R . .
H4WB H 0.1665 1.2650 0.5657 0.047 Uiso 1 1 d R . .
O1W O 0.2330(2) 0.3928(3) 0.5398(2) 0.0588(12) Uani 1 1 d . . .
H1WA H 0.2328 0.4629 0.5267 0.071 Uiso 1 1 d R . .
H1WB H 0.2700 0.3575 0.5174 0.071 Uiso 1 1 d R . .
O3W O 0.3913(3) 0.3871(3) 0.0236(2) 0.0585(12) Uani 1 1 d . . .
H3WA H 0.4434 0.3918 0.0239 0.070 Uiso 1 1 d R . .
H3WB H 0.3779 0.3252 0.0029 0.070 Uiso 1 1 d R . .


_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
Ag2 Ag5 3.2128(11) . ?
Ag2 Ag3 2.9179(5) . ?
Ag2 Ag4 3.1638(8) . ?
Ag2 Ag1 3.1823(12) . ?
Ag2 O4 2.153(3) . ?
Ag2 O5 2.126(3) . ?
Ag5 Ag4 2.8531(5) . ?
Ag5 O11 2.524(3) . ?
Ag5 O8 2.293(3) . ?
Ag5 N4 2.375(3) . ?
Ag5 O9 2.212(3) . ?
Ag3 Ag4 3.3519(10) . ?
Ag3 N2 2.341(3) . ?
Ag3 O6 2.300(3) . ?
Ag3 O1 2.326(3) . ?
Ag4 Ag6 3.0846(11) . ?
Ag4 O10 2.181(2) . ?
Ag4 O3 2.528(5) . ?
Ag4 O7 2.187(3) . ?
Ag6 Ag1 3.3326(12) 1_565 ?
Ag6 O12 2.262(3) . ?
Ag6 N5 2.248(3) . ?
Ag1 Ag6 3.3326(12) 1_545 ?
Ag1 N1 2.125(3) . ?
Ag1 O2 2.102(3) . ?
O11 C24 1.255(4) . ?
C9 O10 1.256(4) . ?
C9 C10 1.504(5) . ?
C9 O9 1.259(4) . ?
O4 C4 1.272(4) . ?
C28 C27 1.388(5) . ?
C28 C29 1.394(5) . ?
N2 C7 1.334(5) . ?
N2 C6 1.348(5) . ?
O5 C3 1.267(4) . ?
O8 C15 1.263(4) . ?
C30 C25 1.389(5) . ?
C30 C29 1.398(5) . ?
C25 C26 1.397(5) . ?
C25 C24 1.511(5) . ?
C26 C27 1.398(5) . ?
N1 C19 1.346(5) 2_545 ?
N1 C2 1.345(5) . ?
N4 C17 1.325(5) . ?
N4 C16 1.341(5) . ?
O12 C24 1.275(5) . ?
N5 C22 1.340(5) . ?
N5 C21 1.337(5) . ?
C27 C3 1.498(5) 2 ?
O7 C15 1.262(4) . ?
C29 C15 1.506(5) 3_576 ?
O6 C3 1.260(4) . ?
C3 C27 1.498(5) 2_545 ?
C23 C22 1.500(5) . ?
C18 C17 1.497(5) . ?
C17 C19 1.414(5) . ?
C10 C11 1.395(5) . ?
C10 C14 1.387(5) . ?
C22 C7 1.420(5) 2_655 ?
C15 C29 1.506(5) 3_576 ?
C16 C2 1.367(6) 2 ?
O2 C1 1.267(5) . ?
O1 C4 1.254(4) . ?
O13 C1 1.249(5) . ?
C12 C13 1.389(5) . ?
C12 C11 1.399(5) . ?
C12 C1 1.506(5) 2_655 ?
C13 C5 1.393(5) 4_575 ?
C14 C5 1.393(5) 4_575 ?
C5 C13 1.393(5) 4_576 ?
C5 C14 1.393(5) 4_576 ?
C5 C4 1.497(5) . ?
C7 C22 1.420(5) 2_645 ?
C7 C8 1.499(5) . ?
C1 C12 1.506(5) 2_645 ?
C19 N1 1.346(5) 2 ?
C19 C20 1.488(6) . ?
C6 C21 1.375(5) 2_645 ?
C21 C6 1.375(5) 2_655 ?
C2 C16 1.367(6) 2_545 ?

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
Ag3 Ag2 Ag5 93.609(12) . . ?
Ag3 Ag2 Ag4 66.748(16) . . ?
Ag3 Ag2 Ag1 68.405(10) . . ?
Ag4 Ag2 Ag5 53.151(18) . . ?
Ag4 Ag2 Ag1 132.797(18) . . ?
Ag1 Ag2 Ag5 144.154(18) . . ?
O4 Ag2 Ag5 122.80(7) . . ?
O4 Ag2 Ag3 93.68(7) . . ?
O4 Ag2 Ag4 78.82(7) . . ?
O4 Ag2 Ag1 90.16(7) . . ?
O5 Ag2 Ag5 64.82(7) . . ?
O5 Ag2 Ag3 88.32(7) . . ?
O5 Ag2 Ag4 109.15(7) . . ?
O5 Ag2 Ag1 83.26(7) . . ?
O5 Ag2 O4 171.89(10) . . ?
Ag4 Ag5 Ag2 62.545(10) . . ?
O11 Ag5 Ag2 147.13(6) . . ?
O11 Ag5 Ag4 108.80(7) . . ?
O8 Ag5 Ag2 55.59(7) . . ?
O8 Ag5 Ag4 78.61(7) . . ?
O8 Ag5 O11 92.17(9) . . ?
O8 Ag5 N4 100.08(11) . . ?
N4 Ag5 Ag2 107.63(8) . . ?
N4 Ag5 Ag4 169.06(8) . . ?
N4 Ag5 O11 82.05(10) . . ?
O9 Ag5 Ag2 97.94(8) . . ?
O9 Ag5 Ag4 75.28(7) . . ?
O9 Ag5 O11 110.76(10) . . ?
O9 Ag5 O8 149.59(10) . . ?
O9 Ag5 N4 102.59(11) . . ?
Ag2 Ag3 Ag4 60.139(10) . . ?
N2 Ag3 Ag2 172.32(7) . . ?
N2 Ag3 Ag4 112.61(8) . . ?
O6 Ag3 Ag2 74.14(7) . . ?
O6 Ag3 Ag4 105.80(7) . . ?
O6 Ag3 N2 106.98(10) . . ?
O6 Ag3 O1 140.65(9) . . ?
O1 Ag3 Ag2 66.60(7) . . ?
O1 Ag3 Ag4 51.84(7) . . ?
O1 Ag3 N2 111.60(11) . . ?
Ag2 Ag4 Ag3 53.113(17) . . ?
Ag5 Ag4 Ag2 64.304(16) . . ?
Ag5 Ag4 Ag3 91.922(13) . . ?
Ag5 Ag4 Ag6 70.304(12) . . ?
Ag6 Ag4 Ag2 124.81(2) . . ?
Ag6 Ag4 Ag3 157.180(15) . . ?
O10 Ag4 Ag2 100.78(7) . . ?
O10 Ag4 Ag5 88.60(7) . . ?
O10 Ag4 Ag3 55.82(7) . . ?
O10 Ag4 Ag6 107.94(7) . . ?
O10 Ag4 O3 110.32(13) . . ?
O10 Ag4 O7 166.50(10) . . ?
O3 Ag4 Ag2 124.39(10) . . ?
O3 Ag4 Ag5 155.06(11) . . ?
O3 Ag4 Ag3 111.98(10) . . ?
O3 Ag4 Ag6 87.98(10) . . ?
O7 Ag4 Ag2 79.90(7) . . ?
O7 Ag4 Ag5 79.51(7) . . ?
O7 Ag4 Ag3 130.31(7) . . ?
O7 Ag4 Ag6 62.09(7) . . ?
O7 Ag4 O3 79.50(13) . . ?
Ag4 Ag6 Ag1 154.001(17) . 1_565 ?
O12 Ag6 Ag4 115.95(7) . . ?
O12 Ag6 Ag1 79.55(7) . 1_565 ?
N5 Ag6 Ag4 72.34(8) . . ?
N5 Ag6 Ag1 87.95(8) . 1_565 ?
N5 Ag6 O12 163.79(11) . . ?
Ag2 Ag1 Ag6 148.299(19) . 1_545 ?
N1 Ag1 Ag2 87.89(9) . . ?
N1 Ag1 Ag6 104.28(8) . 1_545 ?
O2 Ag1 Ag2 93.60(7) . . ?
O2 Ag1 Ag6 83.43(7) . 1_545 ?
O2 Ag1 N1 162.41(12) . . ?
C24 O11 Ag5 115.4(2) . . ?
O10 C9 C10 117.5(3) . . ?
O10 C9 O9 126.4(3) . . ?
O9 C9 C10 116.1(3) . . ?
C4 O4 Ag2 110.8(2) . . ?
C27 C28 C29 120.3(3) . . ?
C7 N2 Ag3 124.3(2) . . ?
C7 N2 C6 117.3(3) . . ?
C6 N2 Ag3 118.2(2) . . ?
C3 O5 Ag2 120.5(2) . . ?
C15 O8 Ag5 117.0(2) . . ?
C25 C30 C29 120.4(3) . . ?
C30 C25 C26 119.2(3) . . ?
C30 C25 C24 122.6(3) . . ?
C26 C25 C24 118.2(3) . . ?
C9 O10 Ag4 116.9(2) . . ?
C25 C26 C27 120.8(3) . . ?
C19 N1 Ag1 123.7(3) 2_545 . ?
C2 N1 Ag1 117.3(3) . . ?
C2 N1 C19 118.5(3) . 2_545 ?
C17 N4 Ag5 127.8(3) . . ?
C17 N4 C16 118.2(3) . . ?
C16 N4 Ag5 113.9(3) . . ?
C24 O12 Ag6 101.5(2) . . ?
C22 N5 Ag6 121.7(2) . . ?
C21 N5 Ag6 120.2(3) . . ?
C21 N5 C22 118.0(3) . . ?
C28 C27 C26 119.5(3) . . ?
C28 C27 C3 120.5(3) . 2 ?
C26 C27 C3 120.0(3) . 2 ?
C15 O7 Ag4 122.0(2) . . ?
O11 C24 C25 118.4(3) . . ?
O11 C24 O12 123.1(3) . . ?
O12 C24 C25 118.5(3) . . ?
C28 C29 C30 119.9(3) . . ?
C28 C29 C15 119.2(3) . 3_576 ?
C30 C29 C15 120.9(3) . 3_576 ?
C3 O6 Ag3 129.7(2) . . ?
O5 C3 C27 116.1(3) . 2_545 ?
O6 C3 O5 125.6(3) . . ?
O6 C3 C27 118.4(3) . 2_545 ?
N4 C17 C18 118.9(4) . . ?
N4 C17 C19 121.4(4) . . ?
C19 C17 C18 119.7(4) . . ?
C11 C10 C9 120.4(3) . . ?
C14 C10 C9 120.0(3) . . ?
C14 C10 C11 119.6(3) . . ?
N5 C22 C23 119.6(3) . . ?
N5 C22 C7 120.1(3) . 2_655 ?
C7 C22 C23 120.2(3) 2_655 . ?
C9 O9 Ag5 132.3(2) . . ?
O8 C15 C29 117.8(3) . 3_576 ?
O7 C15 O8 125.8(3) . . ?
O7 C15 C29 116.4(3) . 3_576 ?
N4 C16 C2 121.3(4) . 2 ?
C1 O2 Ag1 117.3(2) . . ?
C4 O1 Ag3 136.4(2) . . ?
C13 C12 C11 120.3(3) . . ?
C13 C12 C1 120.2(3) . 2_655 ?
C11 C12 C1 119.5(3) . 2_655 ?
C12 C13 C5 120.0(3) . 4_575 ?
C10 C11 C12 119.7(3) . . ?
C10 C14 C5 120.9(3) . 4_575 ?
C13 C5 C14 119.5(3) 4_576 4_576 ?
C13 C5 C4 119.4(3) 4_576 . ?
C14 C5 C4 121.1(3) 4_576 . ?
N2 C7 C22 121.1(3) . 2_645 ?
N2 C7 C8 118.3(3) . . ?
C22 C7 C8 120.5(3) 2_645 . ?
O2 C1 C12 116.0(3) . 2_645 ?
O13 C1 O2 124.4(3) . . ?
O13 C1 C12 119.6(3) . 2_645 ?
N1 C19 C17 119.2(4) 2 . ?
N1 C19 C20 118.8(3) 2 . ?
C17 C19 C20 121.9(4) . . ?
O4 C4 C5 118.1(3) . . ?
O1 C4 O4 124.4(3) . . ?
O1 C4 C5 117.4(3) . . ?
N2 C6 C21 121.7(4) . 2_645 ?
N5 C21 C6 121.6(4) . 2_655 ?
N1 C2 C16 121.3(4) . 2_545 ?

_database_code_depnum_ccdc_archive 'CCDC 977578'
#######################################################################
#
#                 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_shelx
_audit_creation_date             2013-06-20
_audit_creation_method           
;
  Olex2 1.2
  (compiled Apr 23 2013 17:54:37, GUI svn.r4466)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C42 H36 Ag6 N6 O12'
_chemical_formula_sum            'C42 H36 Ag6 N6 O12'
_chemical_formula_weight         1463.99
_chemical_melting_point          ?
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'
Ag Ag -0.8971 1.1015 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   14.757(3)
_cell_length_b                   20.578(4)
_cell_length_c                   13.995(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.040(4)
_cell_angle_gamma                90.00
_cell_volume                     4249.9(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    ?
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      ?
_cell_measurement_theta_min      ?
_exptl_absorpt_coefficient_mu    2.783
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.288
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             2832
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.1137
_diffrn_reflns_av_unetI/netI     0.0963
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            39010
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.07
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5253
_reflns_number_total             9705
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    
;
XS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_refine_diff_density_max         2.252
_refine_diff_density_min         -2.428
_refine_diff_density_rms         0.387
_refine_ls_extinction_coef       0.0033(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     602
_refine_ls_number_reflns         9705
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1410
_refine_ls_R_factor_gt           0.0818
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1581P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1963
_refine_ls_wR_factor_ref         0.2676
_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. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C10(H10), C3(H3), C27(H27), C25(H25), C9(H9), C42(H42), C24(H24), C23(H23),
 C41(H41), C7(H7), C37(H37), C20(H20), C19(H19), C40(H40), C34(H34), C4(H4),
 C33(H33), C5(H5)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C13(H13A,H13B,H13C), C18(H18A,H18B,H18C), C15(H15A,H15B,
 H15C), C30(H30A,H30B,H30C), C32(H32A,H32B,H32C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Ag4 Ag -0.56461(7) -0.13931(4) -0.38749(6) 0.0472(3) Uani 1 1 d . . .
Ag1 Ag 0.06173(7) -0.13104(5) -0.01512(6) 0.0485(3) Uani 1 1 d . . .
Ag3 Ag -0.49456(6) -0.14822(5) -0.58451(6) 0.0462(3) Uani 1 1 d . . .
Ag6 Ag 0.03240(7) -0.00728(5) -0.89875(7) 0.0495(3) Uani 1 1 d . . .
Ag2 Ag -0.11818(7) -0.16904(5) 0.05794(7) 0.0537(3) Uani 1 1 d . . .
Ag5 Ag -0.59132(7) -0.01640(4) -0.53326(6) 0.0463(3) Uani 1 1 d . . .
O5 O -0.0326(6) -0.1217(4) -0.1407(6) 0.051(2) Uani 1 1 d . . .
O3 O 0.1063(6) -0.1586(4) 0.1309(5) 0.049(2) Uani 1 1 d . . .
O10 O -0.3705(6) 0.0171(4) -0.6221(5) 0.0444(19) Uani 1 1 d . . .
O9 O -0.5019(6) -0.0313(4) -0.6628(5) 0.0467(19) Uani 1 1 d . . .
O7 O -0.3810(6) -0.1172(4) -0.4858(5) 0.049(2) Uani 1 1 d . . .
O11 O -0.1107(6) -0.0232(4) -0.8550(6) 0.056(2) Uani 1 1 d . . .
O2 O 0.3247(6) -0.1741(5) 0.5196(6) 0.068(3) Uani 1 1 d . . .
O8 O -0.4220(6) -0.1406(4) -0.3354(6) 0.057(2) Uani 1 1 d . . .
O6 O -0.1648(6) -0.1654(5) -0.0906(6) 0.062(2) Uani 1 1 d . . .
O1 O 0.3671(5) -0.1745(4) 0.3675(5) 0.048(2) Uani 1 1 d . . .
O4 O -0.0311(6) -0.1889(5) 0.1818(6) 0.062(2) Uani 1 1 d . . .
O12 O -0.1518(6) -0.0004(5) -1.0063(6) 0.064(3) Uani 1 1 d . . .
N1 N -0.3907(6) -0.1872(5) 0.2930(6) 0.043(2) Uani 1 1 d . . .
N2 N -0.2502(7) -0.1902(4) 0.1587(7) 0.048(3) Uani 1 1 d . . .
N6 N -0.8596(7) -0.0236(5) -0.7695(8) 0.051(3) Uani 1 1 d . . .
N3 N 0.1943(7) -0.1369(4) -0.1169(7) 0.044(2) Uani 1 1 d . . .
N5 N -0.7230(7) -0.0279(4) -0.6324(6) 0.042(2) Uani 1 1 d . . .
N4 N 0.3290(7) -0.1496(4) -0.2549(6) 0.040(2) Uani 1 1 d . . .
C10 C -0.3023(8) -0.1826(6) 0.3186(8) 0.048(3) Uani 1 1 d . . .
H10 H -0.2872 -0.1787 0.3829 0.058 Uiso 1 1 calc R . .
C14 C -0.5053(9) -0.2009(6) 0.1716(9) 0.053(3) Uani 1 1 d . . .
H14A H -0.5422 -0.1949 0.2274 0.080 Uiso 1 1 calc R . .
H14B H -0.5157 -0.2434 0.1455 0.080 Uiso 1 1 calc R . .
H14C H -0.5206 -0.1686 0.1248 0.080 Uiso 1 1 calc R . .
C3 C 0.0308(8) -0.2156(5) 0.3624(8) 0.043(3) Uani 1 1 d . . .
H3 H -0.0298 -0.2229 0.3476 0.051 Uiso 1 1 calc R . .
C31 C -0.8805(8) -0.0262(5) -0.6737(8) 0.044(3) Uani 1 1 d . . .
C27 C -0.2369(9) -0.1405(5) -0.2767(8) 0.047(3) Uani 1 1 d . . .
H27 H -0.2798 -0.1428 -0.2282 0.057 Uiso 1 1 calc R . .
C12 C -0.3385(8) -0.1977(5) 0.1325(7) 0.041(3) Uani 1 1 d . . .
C13 C -0.3555(9) -0.2067(6) 0.0277(7) 0.049(3) Uani 1 1 d . . .
H13A H -0.3895 -0.1704 0.0037 0.074 Uiso 1 1 calc R . .
H13B H -0.3893 -0.2460 0.0176 0.074 Uiso 1 1 calc R . .
H13C H -0.2987 -0.2094 -0.0054 0.074 Uiso 1 1 calc R . .
C39 C -0.1674(8) -0.0158(5) -0.9205(8) 0.043(3) Uani 1 1 d . . .
C22 C -0.1452(8) -0.1427(5) -0.2549(8) 0.041(3) Uani 1 1 d . . .
C25 C -0.1988(8) -0.1333(5) -0.4452(7) 0.041(3) Uani 1 1 d . . .
H25 H -0.2160 -0.1292 -0.5089 0.049 Uiso 1 1 calc R . .
C9 C -0.2346(8) -0.1836(6) 0.2512(8) 0.052(3) Uani 1 1 d . . .
H9 H -0.1749 -0.1794 0.2718 0.062 Uiso 1 1 calc R . .
C35 C -0.4237(8) -0.0111(5) -0.6789(8) 0.045(3) Uani 1 1 d . . .
C18 C 0.4467(8) -0.1632(6) -0.1352(9) 0.051(3) Uani 1 1 d . . .
H18A H 0.4534 -0.2049 -0.1052 0.076 Uiso 1 1 calc R . .
H18B H 0.4658 -0.1298 -0.0919 0.076 Uiso 1 1 calc R . .
H18C H 0.4833 -0.1617 -0.1919 0.076 Uiso 1 1 calc R . .
C36 C -0.3866(8) -0.0202(5) -0.7820(8) 0.041(3) Uani 1 1 d . . .
C11 C -0.4073(8) -0.1942(5) 0.1984(7) 0.041(3) Uani 1 1 d . . .
C42 C -0.4503(9) -0.0348(5) -0.8529(8) 0.046(3) Uani 1 1 d . . .
H42 H -0.5116 -0.0384 -0.8385 0.056 Uiso 1 1 calc R . .
C24 C -0.1106(9) -0.1377(6) -0.4224(9) 0.053(3) Uani 1 1 d . . .
H24 H -0.0676 -0.1371 -0.4710 0.063 Uiso 1 1 calc R . .
C23 C -0.0819(9) -0.1431(5) -0.3289(7) 0.045(3) Uani 1 1 d . . .
H23 H -0.0205 -0.1469 -0.3152 0.055 Uiso 1 1 calc R . .
C21 C -0.1106(9) -0.1428(5) -0.1549(8) 0.043(3) Uani 1 1 d . . .
C26 C -0.2648(8) -0.1348(5) -0.3737(8) 0.042(3) Uani 1 1 d . . .
C41 C -0.4191(8) -0.0437(5) -0.9456(8) 0.045(3) Uani 1 1 d . . .
H41 H -0.4599 -0.0536 -0.9942 0.053 Uiso 1 1 calc R . .
C7 C 0.1816(8) -0.1856(5) 0.3118(7) 0.038(2) Uani 1 1 d . . .
H7 H 0.2209 -0.1734 0.2631 0.046 Uiso 1 1 calc R . .
C29 C -0.8086(9) -0.0288(5) -0.6061(9) 0.047(3) Uani 1 1 d . . .
C15 C 0.3021(9) -0.1474(6) 0.0119(8) 0.048(3) Uani 1 1 d . . .
H15A H 0.2490 -0.1372 0.0485 0.072 Uiso 1 1 calc R . .
H15B H 0.3487 -0.1162 0.0254 0.072 Uiso 1 1 calc R . .
H15C H 0.3230 -0.1901 0.0287 0.072 Uiso 1 1 calc R . .
C38 C -0.2649(9) -0.0242(5) -0.8950(9) 0.047(3) Uani 1 1 d . . .
C17 C 0.3481(9) -0.1527(5) -0.1618(9) 0.046(3) Uani 1 1 d . . .
C37 C -0.2965(9) -0.0171(5) -0.8007(9) 0.048(3) Uani 1 1 d . . .
H37 H -0.2555 -0.0103 -0.7512 0.058 Uiso 1 1 calc R . .
C30 C -0.8316(9) -0.0311(6) -0.5004(8) 0.056(3) Uani 1 1 d . . .
H30A H -0.7767 -0.0335 -0.4637 0.084 Uiso 1 1 calc R . .
H30B H -0.8682 -0.0686 -0.4875 0.084 Uiso 1 1 calc R . .
H30C H -0.8645 0.0074 -0.4831 0.084 Uiso 1 1 calc R . .
C20 C 0.1739(10) -0.1339(5) -0.2132(9) 0.052(3) Uani 1 1 d . . .
H20 H 0.1147 -0.1269 -0.2334 0.062 Uiso 1 1 calc R . .
C19 C 0.2442(8) -0.1415(5) -0.2800(8) 0.044(3) Uani 1 1 d . . .
H19 H 0.2299 -0.1408 -0.3448 0.053 Uiso 1 1 calc R . .
C40 C -0.3282(9) -0.0381(5) -0.9661(8) 0.047(3) Uani 1 1 d . . .
H40 H -0.3087 -0.0437 -1.0287 0.057 Uiso 1 1 calc R . .
C28 C -0.3652(8) -0.1303(5) -0.3987(8) 0.041(3) Uani 1 1 d . . .
C34 C -0.7053(8) -0.0281(6) -0.7254(8) 0.045(3) Uani 1 1 d . . .
H34 H -0.6454 -0.0293 -0.7456 0.054 Uiso 1 1 calc R . .
C16 C 0.2794(9) -0.1456(5) -0.0930(8) 0.042(3) Uani 1 1 d . . .
C1 C 0.0523(8) -0.1800(5) 0.1925(8) 0.041(3) Uani 1 1 d . . .
C8 C 0.3083(8) -0.1804(5) 0.4325(8) 0.042(3) Uani 1 1 d . . .
C4 C 0.0603(9) -0.2257(6) 0.4552(8) 0.050(3) Uani 1 1 d . . .
H4 H 0.0198 -0.2397 0.5017 0.061 Uiso 1 1 calc R . .
C33 C -0.7745(8) -0.0264(6) -0.7937(8) 0.046(3) Uani 1 1 d . . .
H33 H -0.7592 -0.0272 -0.8582 0.056 Uiso 1 1 calc R . .
C6 C 0.2148(8) -0.1944(5) 0.4045(9) 0.043(3) Uani 1 1 d . . .
C5 C 0.1512(8) -0.2147(5) 0.4786(9) 0.047(3) Uani 1 1 d . . .
H5 H 0.1711 -0.2202 0.5412 0.056 Uiso 1 1 calc R . .
C32 C -0.9756(9) -0.0262(6) -0.6460(10) 0.064(4) Uani 1 1 d . . .
H32A H -0.9897 0.0138 -0.6140 0.095 Uiso 1 1 calc R . .
H32B H -0.9870 -0.0620 -0.6037 0.095 Uiso 1 1 calc R . .
H32C H -1.0128 -0.0304 -0.7019 0.095 Uiso 1 1 calc R . .
C2 C 0.0887(8) -0.1952(5) 0.2914(8) 0.041(3) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag4 Ag3 2.9510(14) . ?
Ag4 Ag5 3.2731(13) . ?
Ag4 O10 2.694(8) 3_454 ?
Ag4 O2 2.206(8) 1_454 ?
Ag4 O8 2.226(9) . ?
Ag4 N4 2.441(9) 1_455 ?
Ag1 Ag6 3.0539(14) 1_556 ?
Ag1 Ag6 3.3885(14) 3_554 ?
Ag1 Ag2 2.9512(16) . ?
Ag1 O5 2.250(7) . ?
Ag1 O3 2.220(7) . ?
Ag1 N3 2.424(10) . ?
Ag3 Ag5 3.1485(14) . ?
Ag3 O9 2.646(8) . ?
Ag3 O7 2.263(8) . ?
Ag3 O1 2.216(8) 1_454 ?
Ag3 N1 2.436(9) 1_554 ?
Ag6 Ag1 3.3885(14) 3_554 ?
Ag6 Ag1 3.0539(14) 1_554 ?
Ag6 Ag6 3.0053(19) 3_553 ?
Ag6 O5 2.712(8) 3_554 ?
Ag6 O11 2.224(9) . ?
Ag6 O12 2.214(10) 3_553 ?
Ag6 N6 2.433(10) 1_655 ?
Ag2 O6 2.190(8) . ?
Ag2 O4 2.196(8) . ?
Ag2 N2 2.444(11) . ?
Ag5 Ag5 2.9297(19) 3_454 ?
Ag5 O10 2.246(7) 3_454 ?
Ag5 O9 2.264(8) . ?
Ag5 N5 2.399(10) . ?
O5 Ag6 2.712(8) 3_554 ?
O5 C21 1.246(14) . ?
O3 C1 1.255(14) . ?
O10 Ag4 2.694(8) 3_454 ?
O10 Ag5 2.246(7) 3_454 ?
O10 C35 1.258(13) . ?
O9 C35 1.247(15) . ?
O7 C28 1.269(13) . ?
O11 C39 1.250(14) . ?
O2 Ag4 2.206(8) 1_656 ?
O2 C8 1.250(13) . ?
O8 C28 1.239(14) . ?
O6 C21 1.291(14) . ?
O1 Ag3 2.216(8) 1_656 ?
O1 C8 1.263(14) . ?
O4 C1 1.252(14) . ?
O12 Ag6 2.214(10) 3_553 ?
O12 C39 1.263(14) . ?
N1 Ag3 2.436(9) 1_556 ?
N1 C10 1.355(14) . ?
N1 C11 1.355(13) . ?
N2 C12 1.362(15) . ?
N2 C9 1.323(15) . ?
N6 Ag6 2.433(10) 1_455 ?
N6 C31 1.377(15) . ?
N6 C33 1.303(16) . ?
N3 C20 1.382(14) . ?
N3 C16 1.311(15) . ?
N5 C29 1.316(16) . ?
N5 C34 1.327(13) . ?
N4 Ag4 2.441(9) 1_655 ?
N4 C17 1.334(14) . ?
N4 C19 1.311(15) . ?
C10 C9 1.375(17) . ?
C14 C11 1.500(16) . ?
C3 C4 1.385(15) . ?
C3 C2 1.376(15) . ?
C31 C29 1.422(16) . ?
C31 C32 1.456(18) . ?
C27 C22 1.387(16) . ?
C27 C26 1.424(15) . ?
C12 C13 1.500(14) . ?
C12 C11 1.373(16) . ?
C39 C38 1.492(18) . ?
C22 C23 1.395(17) . ?
C22 C21 1.490(15) . ?
C25 C24 1.343(17) . ?
C25 C26 1.397(16) . ?
C35 C36 1.555(16) . ?
C18 C17 1.518(17) . ?
C36 C42 1.399(15) . ?
C36 C37 1.357(17) . ?
C42 C41 1.389(15) . ?
C24 C23 1.379(15) . ?
C26 C28 1.525(17) . ?
C41 C40 1.376(16) . ?
C7 C6 1.399(15) . ?
C7 C2 1.413(15) . ?
C29 C30 1.519(17) . ?
C15 C16 1.506(14) . ?
C38 C37 1.407(17) . ?
C38 C40 1.395(16) . ?
C17 C16 1.407(18) . ?
C20 C19 1.406(18) . ?
C34 C33 1.398(15) . ?
C1 C2 1.518(14) . ?
C8 C6 1.463(16) . ?
C4 C5 1.400(16) . ?
C6 C5 1.460(16) . ?

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
Ag3 Ag4 Ag5 60.51(3) . . ?
O10 Ag4 Ag3 103.25(16) 3_454 . ?
O10 Ag4 Ag5 42.87(15) 3_454 . ?
O2 Ag4 Ag3 71.9(2) 1_454 . ?
O2 Ag4 Ag5 78.1(3) 1_454 . ?
O2 Ag4 O10 94.0(3) 1_454 3_454 ?
O2 Ag4 O8 152.6(4) 1_454 . ?
O2 Ag4 N4 86.8(3) 1_454 1_455 ?
O8 Ag4 Ag3 88.5(2) . . ?
O8 Ag4 Ag5 109.1(2) . . ?
O8 Ag4 O10 109.3(3) . 3_454 ?
O8 Ag4 N4 111.0(3) . 1_455 ?
N4 Ag4 Ag3 158.6(2) 1_455 . ?
N4 Ag4 Ag5 117.6(2) 1_455 . ?
N4 Ag4 O10 79.3(3) 1_455 3_454 ?
Ag6 Ag1 Ag6 55.32(3) 1_556 3_554 ?
Ag2 Ag1 Ag6 88.69(4) . 3_554 ?
Ag2 Ag1 Ag6 84.74(4) . 1_556 ?
O5 Ag1 Ag6 52.9(2) . 3_554 ?
O5 Ag1 Ag6 104.9(2) . 1_556 ?
O5 Ag1 Ag2 74.8(2) . . ?
O5 Ag1 N3 92.5(3) . . ?
O3 Ag1 Ag6 131.6(2) . 3_554 ?
O3 Ag1 Ag6 76.4(2) . 1_556 ?
O3 Ag1 Ag2 83.1(2) . . ?
O3 Ag1 O5 157.5(3) . . ?
O3 Ag1 N3 106.8(3) . . ?
N3 Ag1 Ag6 99.4(2) . 3_554 ?
N3 Ag1 Ag6 118.0(2) . 1_556 ?
N3 Ag1 Ag2 156.5(2) . . ?
Ag4 Ag3 Ag5 64.81(3) . . ?
O9 Ag3 Ag4 108.43(17) . . ?
O9 Ag3 Ag5 44.96(17) . . ?
O7 Ag3 Ag4 70.8(2) . . ?
O7 Ag3 Ag5 87.4(2) . . ?
O7 Ag3 O9 91.5(3) . . ?
O7 Ag3 N1 93.2(3) . 1_554 ?
O1 Ag3 Ag4 88.6(2) 1_454 . ?
O1 Ag3 Ag5 82.0(2) 1_454 . ?
O1 Ag3 O9 93.4(3) 1_454 . ?
O1 Ag3 O7 159.3(3) 1_454 . ?
O1 Ag3 N1 106.6(3) 1_454 1_554 ?
N1 Ag3 Ag4 154.0(2) 1_554 . ?
N1 Ag3 Ag5 136.9(2) 1_554 . ?
N1 Ag3 O9 91.9(3) 1_554 . ?
Ag1 Ag6 Ag1 124.68(3) 1_554 3_554 ?
Ag6 Ag6 Ag1 68.00(4) 3_553 1_554 ?
Ag6 Ag6 Ag1 56.68(3) 3_553 3_554 ?
O5 Ag6 Ag1 157.66(19) 3_554 1_554 ?
O5 Ag6 Ag1 41.45(16) 3_554 3_554 ?
O5 Ag6 Ag6 95.44(17) 3_554 3_553 ?
O11 Ag6 Ag1 99.1(2) . 1_554 ?
O11 Ag6 Ag1 80.4(2) . 3_554 ?
O11 Ag6 Ag6 88.4(2) . 3_553 ?
O11 Ag6 O5 95.1(3) . 3_554 ?
O11 Ag6 N6 113.4(3) . 1_655 ?
O12 Ag6 Ag1 93.0(2) 3_553 3_554 ?
O12 Ag6 Ag1 68.0(3) 3_553 1_554 ?
O12 Ag6 Ag6 71.3(2) 3_553 3_553 ?
O12 Ag6 O5 93.0(3) 3_553 3_554 ?
O12 Ag6 O11 158.8(3) 3_553 . ?
O12 Ag6 N6 86.3(3) 3_553 1_655 ?
N6 Ag6 Ag1 100.9(2) 1_655 1_554 ?
N6 Ag6 Ag1 130.4(2) 1_655 3_554 ?
N6 Ag6 Ag6 157.3(3) 1_655 3_553 ?
N6 Ag6 O5 89.0(3) 1_655 3_554 ?
O6 Ag2 Ag1 86.8(3) . . ?
O6 Ag2 O4 159.9(4) . . ?
O6 Ag2 N2 107.7(3) . . ?
O4 Ag2 Ag1 78.3(2) . . ?
O4 Ag2 N2 88.7(3) . . ?
N2 Ag2 Ag1 164.7(2) . . ?
Ag3 Ag5 Ag4 54.67(3) . . ?
Ag5 Ag5 Ag4 82.51(4) 3_454 . ?
Ag5 Ag5 Ag3 81.58(4) 3_454 . ?
O10 Ag5 Ag4 54.7(2) 3_454 . ?
O10 Ag5 Ag3 109.2(2) 3_454 . ?
O10 Ag5 Ag5 85.7(2) 3_454 3_454 ?
O10 Ag5 O9 157.1(3) 3_454 . ?
O10 Ag5 N5 110.9(3) 3_454 . ?
O9 Ag5 Ag4 108.9(2) . . ?
O9 Ag5 Ag3 55.7(2) . . ?
O9 Ag5 Ag5 75.5(2) . 3_454 ?
O9 Ag5 N5 89.7(3) . . ?
N5 Ag5 Ag4 112.4(2) . . ?
N5 Ag5 Ag3 98.7(2) . . ?
N5 Ag5 Ag5 162.0(2) . 3_454 ?
Ag1 O5 Ag6 85.6(3) . 3_554 ?
C21 O5 Ag1 131.7(8) . . ?
C21 O5 Ag6 112.0(7) . 3_554 ?
C1 O3 Ag1 122.3(7) . . ?
Ag5 O10 Ag4 82.4(2) 3_454 3_454 ?
C35 O10 Ag4 103.9(7) . 3_454 ?
C35 O10 Ag5 116.9(8) . 3_454 ?
Ag5 O9 Ag3 79.4(2) . . ?
C35 O9 Ag3 109.9(7) . . ?
C35 O9 Ag5 129.7(7) . . ?
C28 O7 Ag3 131.4(8) . . ?
C39 O11 Ag6 114.5(8) . . ?
C8 O2 Ag4 138.8(9) . 1_656 ?
C28 O8 Ag4 113.8(7) . . ?
C21 O6 Ag2 118.7(8) . . ?
C8 O1 Ag3 116.0(7) . 1_656 ?
C1 O4 Ag2 129.9(8) . . ?
C39 O12 Ag6 137.2(8) . 3_553 ?
C10 N1 Ag3 113.4(7) . 1_556 ?
C11 N1 Ag3 127.5(8) . 1_556 ?
C11 N1 C10 116.0(10) . . ?
C12 N2 Ag2 128.9(7) . . ?
C9 N2 Ag2 114.1(9) . . ?
C9 N2 C12 116.1(11) . . ?
C31 N6 Ag6 125.6(8) . 1_455 ?
C33 N6 Ag6 116.4(8) . 1_455 ?
C33 N6 C31 117.9(10) . . ?
C20 N3 Ag1 113.3(8) . . ?
C16 N3 Ag1 129.1(8) . . ?
C16 N3 C20 117.5(11) . . ?
C29 N5 Ag5 128.0(7) . . ?
C29 N5 C34 117.7(10) . . ?
C34 N5 Ag5 114.0(8) . . ?
C17 N4 Ag4 127.7(8) . 1_655 ?
C19 N4 Ag4 113.6(8) . 1_655 ?
C19 N4 C17 118.0(11) . . ?
N1 C10 C9 121.2(10) . . ?
C2 C3 C4 121.9(11) . . ?
N6 C31 C29 118.8(11) . . ?
N6 C31 C32 118.4(11) . . ?
C29 C31 C32 122.8(12) . . ?
C22 C27 C26 119.6(12) . . ?
N2 C12 C13 115.9(10) . . ?
N2 C12 C11 121.4(10) . . ?
C11 C12 C13 122.7(11) . . ?
O11 C39 O12 127.3(12) . . ?
O11 C39 C38 117.0(10) . . ?
O12 C39 C38 115.7(10) . . ?
C27 C22 C23 119.4(11) . . ?
C27 C22 C21 122.7(11) . . ?
C23 C22 C21 117.9(11) . . ?
C24 C25 C26 120.3(10) . . ?
N2 C9 C10 123.1(12) . . ?
O10 C35 C36 114.9(11) . . ?
O9 C35 O10 128.1(12) . . ?
O9 C35 C36 117.0(10) . . ?
C42 C36 C35 116.6(11) . . ?
C37 C36 C35 121.3(10) . . ?
C37 C36 C42 122.0(11) . . ?
N1 C11 C14 115.3(10) . . ?
N1 C11 C12 121.9(11) . . ?
C12 C11 C14 122.7(10) . . ?
C41 C42 C36 117.9(12) . . ?
C25 C24 C23 121.8(13) . . ?
C24 C23 C22 119.9(12) . . ?
O5 C21 O6 125.9(10) . . ?
O5 C21 C22 117.7(11) . . ?
O6 C21 C22 116.3(11) . . ?
C27 C26 C28 120.3(11) . . ?
C25 C26 C27 118.9(11) . . ?
C25 C26 C28 120.8(10) . . ?
C40 C41 C42 120.5(11) . . ?
C6 C7 C2 120.5(11) . . ?
N5 C29 C31 121.9(11) . . ?
N5 C29 C30 119.2(11) . . ?
C31 C29 C30 118.8(12) . . ?
C37 C38 C39 122.2(10) . . ?
C40 C38 C39 119.9(11) . . ?
C40 C38 C37 117.9(12) . . ?
N4 C17 C18 116.6(11) . . ?
N4 C17 C16 120.8(11) . . ?
C16 C17 C18 122.6(11) . . ?
C36 C37 C38 120.1(10) . . ?
N3 C20 C19 118.9(12) . . ?
N4 C19 C20 122.7(11) . . ?
C41 C40 C38 121.4(12) . . ?
O7 C28 C26 114.3(11) . . ?
O8 C28 O7 126.8(11) . . ?
O8 C28 C26 118.9(10) . . ?
N5 C34 C33 121.8(11) . . ?
N3 C16 C15 117.7(11) . . ?
N3 C16 C17 122.0(10) . . ?
C17 C16 C15 120.3(11) . . ?
O3 C1 C2 118.3(10) . . ?
O4 C1 O3 126.4(10) . . ?
O4 C1 C2 115.2(11) . . ?
O2 C8 O1 124.0(11) . . ?
O2 C8 C6 117.7(12) . . ?
O1 C8 C6 118.3(10) . . ?
C3 C4 C5 119.7(12) . . ?
N6 C33 C34 121.8(11) . . ?
C7 C6 C8 123.6(11) . . ?
C7 C6 C5 118.1(11) . . ?
C5 C6 C8 118.2(10) . . ?
C4 C5 C6 119.8(11) . . ?
C3 C2 C7 120.0(10) . . ?
C3 C2 C1 120.1(10) . . ?
C7 C2 C1 119.9(10) . . ?

_database_code_depnum_ccdc_archive 'CCDC 977579'
