#------------------------------------------------------------------------------
#$Date: 2016-03-29 03:17:44 +0300 (Tue, 29 Mar 2016) $
#$Revision: 180573 $
#$URL: svn://www.crystallography.net/cod/cif/1/10/07/1100703.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1100703
loop_
_publ_author_name
'Caradoc-Davies, Paula L.'
'Hanton, Lyall R.'
'Henderson, William'
_publ_section_title
;
 Coordination polymers and isomerism; a study using silver(I) and a
 π-stacked ligand
;
_journal_coden_ASTM              JCSDAA
_journal_issue                   19
_journal_name_full
;
 Journal of the Chemical Society, Dalton Transactions
;
_journal_page_first              2749
_journal_page_last               2755
_journal_paper_doi               10.1039/b104284j
_journal_year                    2001
_chemical_formula_sum            'C36 H36 Ag4 N12 O13 S4'
_chemical_formula_weight         1404.49
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.182(5)
_cell_angle_beta                 92.571(5)
_cell_angle_gamma                115.658(5)
_cell_formula_units_Z            2
_cell_length_a                   11.445(5)
_cell_length_b                   13.146(5)
_cell_length_c                   17.529(5)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    163(2)
_cell_measurement_theta_max      26.45
_cell_measurement_theta_min      1.98
_cell_volume                     2317.8(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      163(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0366
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30447
_diffrn_reflns_theta_full        26.45
_diffrn_reflns_theta_max         26.45
_diffrn_reflns_theta_min         1.98
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_exptl_absorpt_coefficient_mu    1.921
_exptl_absorpt_correction_T_max  0.7941
_exptl_absorpt_correction_T_min  0.6506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (sheldrick 1996)'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.012
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       wedge
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.311
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         9379
_refine_ls_number_restraints     60
_refine_ls_restrained_S_all      0.959
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0390
_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)+(0.0625P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                6229
_reflns_number_total             9379
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104284j.txt
_cod_data_source_block           '[Ag2(L)](NO3)2'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1100703
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 1.9425(5) 0.9197(4) 1.0410(3) 0.0418(12) Uani 1 1 d . . .
H1 H 1.9046 0.8647 1.0708 0.050 Uiso 1 1 calc R . .
C2 C 1.9338(5) 0.9882(4) 0.9304(3) 0.0386(11) Uani 1 1 d . . .
C3 C 1.8644(5) 0.9806(4) 0.8532(3) 0.0441(12) Uani 1 1 d . . .
H3A H 1.9297 1.0219 0.8221 0.053 Uiso 1 1 calc R . .
H3B H 1.8107 1.0205 0.8630 0.053 Uiso 1 1 calc R . .
C4 C 1.8813(5) 0.7904(5) 0.7590(3) 0.0528(14) Uani 1 1 d . . .
H4A H 1.8364 0.7217 0.7175 0.063 Uiso 1 1 calc R . .
H4B H 1.9436 0.8505 0.7362 0.063 Uiso 1 1 calc R . .
C5 C 1.9556(5) 0.7643(4) 0.8195(3) 0.0467(13) Uani 1 1 d . . .
C6 C 2.0849(5) 0.8419(5) 0.8504(4) 0.0579(15) Uani 1 1 d . . .
H6 H 2.1276 0.9093 0.8323 0.069 Uiso 1 1 calc R . .
C7 C 2.1490(6) 0.8178(6) 0.9081(4) 0.0677(17) Uani 1 1 d . . .
H7 H 2.2341 0.8699 0.9304 0.081 Uiso 1 1 calc R . .
C8 C 2.0844(6) 0.7148(6) 0.9321(4) 0.0655(17) Uani 1 1 d . . .
H8 H 2.1262 0.6953 0.9696 0.079 Uiso 1 1 calc R . .
C9 C 1.9562(6) 0.6415(5) 0.8990(3) 0.0603(15) Uani 1 1 d . . .
H9 H 1.9125 0.5732 0.9161 0.072 Uiso 1 1 calc R . .
C10 C 1.6315(6) 0.3290(5) 0.8952(4) 0.0561(15) Uani 1 1 d . . .
H10 H 1.7206 0.3728 0.9124 0.067 Uiso 1 1 calc R . .
C11 C 1.5651(6) 0.2274(5) 0.9216(4) 0.0581(15) Uani 1 1 d . . .
H11 H 1.6088 0.2041 0.9554 0.070 Uiso 1 1 calc R . .
C12 C 1.4347(7) 0.1632(5) 0.8966(4) 0.0651(17) Uani 1 1 d . . .
H12 H 1.3875 0.0958 0.9140 0.078 Uiso 1 1 calc R . .
C13 C 1.3721(6) 0.1990(5) 0.8449(3) 0.0569(15) Uani 1 1 d . . .
H13 H 1.2836 0.1549 0.8260 0.068 Uiso 1 1 calc R . .
C14 C 1.4454(5) 0.3031(4) 0.8218(3) 0.0448(12) Uani 1 1 d . . .
C15 C 1.3793(5) 0.3434(5) 0.7665(3) 0.0547(14) Uani 1 1 d . . .
H15A H 1.2867 0.3095 0.7714 0.066 Uiso 1 1 calc R . .
H15B H 1.3874 0.3126 0.7135 0.066 Uiso 1 1 calc R . .
C16 C 1.3753(4) 0.5315(4) 0.8683(3) 0.0403(12) Uani 1 1 d . . .
H16A H 1.3874 0.6106 0.8769 0.048 Uiso 1 1 calc R . .
H16B H 1.2821 0.4812 0.8623 0.048 Uiso 1 1 calc R . .
C17 C 1.4406(4) 0.5168(4) 0.9386(3) 0.0316(10) Uani 1 1 d . . .
C18 C 1.6240(4) 0.5768(4) 1.0265(3) 0.0336(10) Uani 1 1 d . . .
H18 H 1.7107 0.6282 1.0459 0.040 Uiso 1 1 calc R . .
C19 C 1.0885(5) 0.4766(5) 0.7364(3) 0.0497(13) Uani 1 1 d . . .
H19 H 1.0345 0.4604 0.7752 0.060 Uiso 1 1 calc R . .
C20 C 1.1582(6) 0.5896(5) 0.7310(3) 0.0573(15) Uani 1 1 d . . .
H20 H 1.1520 0.6484 0.7661 0.069 Uiso 1 1 calc R . .
C21 C 1.2382(6) 0.6158(5) 0.6728(3) 0.0574(15) Uani 1 1 d . . .
H21 H 1.2876 0.6920 0.6689 0.069 Uiso 1 1 calc R . .
C22 C 1.2422(5) 0.5268(5) 0.6217(3) 0.0484(13) Uani 1 1 d . . .
H22 H 1.2936 0.5418 0.5816 0.058 Uiso 1 1 calc R . .
C23 C 1.1693(5) 0.4132(4) 0.6294(3) 0.0431(12) Uani 1 1 d . . .
C24 C 1.1740(5) 0.3134(5) 0.5741(3) 0.0506(14) Uani 1 1 d . . .
H24A H 1.2050 0.2730 0.6046 0.061 Uiso 1 1 calc R . .
H24B H 1.2380 0.3446 0.5395 0.061 Uiso 1 1 calc R . .
C26 C 1.0114(5) 0.2871(4) 0.4409(3) 0.0471(13) Uani 1 1 d . . .
H26A H 1.0880 0.3047 0.4142 0.057 Uiso 1 1 calc R . .
H26B H 0.9352 0.2369 0.4026 0.057 Uiso 1 1 calc R . .
C27 C 1.0032(5) 0.3989(4) 0.4721(3) 0.0374(11) Uani 1 1 d . . .
C28 C 1.0767(4) 0.4980(4) 0.4447(3) 0.0380(11) Uani 1 1 d . . .
H28 H 1.1296 0.4945 0.4066 0.046 Uiso 1 1 calc R . .
C30 C 0.5375(5) 0.1722(4) 0.6367(3) 0.0428(12) Uani 1 1 d . . .
H30A H 0.4687 0.1375 0.6678 0.051 Uiso 1 1 calc R . .
H30B H 0.5256 0.2340 0.6201 0.051 Uiso 1 1 calc R . .
C31 C 0.5198(4) 0.0815(4) 0.5644(3) 0.0348(11) Uani 1 1 d . . .
C32 C 0.3993(4) -0.0116(4) 0.5385(3) 0.0383(11) Uani 1 1 d . . .
H32 H 0.3300 -0.0181 0.5663 0.046 Uiso 1 1 calc R . .
C33 C 0.6772(5) 0.1135(4) 0.7410(3) 0.0481(13) Uani 1 1 d . . .
H33A H 0.7462 0.1414 0.7847 0.058 Uiso 1 1 calc R . .
H33B H 0.5943 0.0838 0.7615 0.058 Uiso 1 1 calc R . .
C34 C 0.6838(5) 0.0157(4) 0.6850(3) 0.0416(12) Uani 1 1 d . . .
C35 C 0.5757(5) -0.0878(4) 0.6588(3) 0.0508(14) Uani 1 1 d . . .
H35 H 0.4973 -0.1010 0.6782 0.061 Uiso 1 1 calc R . .
C36 C 0.5832(6) -0.1726(5) 0.6035(4) 0.0610(16) Uani 1 1 d . . .
H36 H 0.5097 -0.2426 0.5840 0.073 Uiso 1 1 calc R . .
C37 C 0.7023(6) -0.1514(5) 0.5777(4) 0.0614(16) Uani 1 1 d . . .
H37 H 0.7104 -0.2070 0.5405 0.074 Uiso 1 1 calc R . .
C38 C 0.8084(6) -0.0470(5) 0.6080(3) 0.0522(14) Uani 1 1 d . . .
H38 H 0.8885 -0.0329 0.5907 0.063 Uiso 1 1 calc R . .
N1 N 1.8773(4) 0.9077(3) 0.9727(2) 0.0412(10) Uani 1 1 d . A .
N2 N 1.8929(4) 0.6641(4) 0.8442(3) 0.0479(11) Uani 1 1 d . . .
N3 N 1.5741(4) 0.3668(3) 0.8463(2) 0.0435(10) Uani 1 1 d . . .
N4 N 1.5654(3) 0.5952(3) 0.9660(2) 0.0314(8) Uani 1 1 d . A .
N5 N 1.0951(4) 0.3886(3) 0.6878(2) 0.0425(10) Uani 1 1 d . . .
N6 N 0.9272(3) 0.4014(3) 0.5278(2) 0.0361(9) Uani 1 1 d . . .
N7 N 0.6216(4) 0.0930(3) 0.5254(2) 0.0357(9) Uani 1 1 d . . .
N8 N 0.8004(4) 0.0355(3) 0.6616(2) 0.0442(10) Uani 1 1 d . . .
N11 N 1.1466(4) 0.0426(4) 0.6740(3) 0.0501(11) Uani 1 1 d . . .
N22 N 1.0266(4) 0.3369(4) 0.8842(2) 0.0482(11) Uani 1 1 d . . .
O1 O 1.3261(10) 0.8896(10) 0.7321(6) 0.238(5) Uani 1 1 d . . .
O11 O 1.1684(6) 0.0836(5) 0.6163(3) 0.1039(18) Uani 1 1 d . . .
O12 O 1.1803(5) -0.0350(4) 0.6797(3) 0.0902(15) Uani 1 1 d . . .
O13 O 1.0915(4) 0.0726(4) 0.7267(3) 0.0652(11) Uani 1 1 d . . .
O21 O 0.9158(4) 0.3207(4) 0.8610(3) 0.0793(13) Uani 1 1 d . . .
O22 O 1.0930(4) 0.4208(4) 0.9395(2) 0.0719(12) Uani 1 1 d . . .
O23 O 1.0769(4) 0.2753(3) 0.8501(2) 0.0522(9) Uani 1 1 d . . .
S1 S 1.76179(13) 0.83662(11) 0.79572(7) 0.0461(3) Uani 1 1 d . A .
S2 S 1.43788(12) 0.49912(12) 0.77818(7) 0.0454(3) Uani 1 1 d . . .
S3 S 1.02077(12) 0.20883(11) 0.51456(8) 0.0443(3) Uani 1 1 d . . .
S4 S 0.69292(13) 0.23502(10) 0.69870(7) 0.0435(3) Uani 1 1 d . . .
Ag1 Ag 1.67000(4) 0.74931(3) 0.91325(2) 0.04681(12) Uani 1 1 d . . .
Ag2 Ag 1.68025(4) 0.54303(3) 0.80581(2) 0.04963(13) Uani 1 1 d . A .
Ag3 Ag 0.82935(4) 0.24007(3) 0.58320(2) 0.04955(13) Uani 1 1 d . . .
Ag4 Ag 0.98390(4) 0.20406(3) 0.70546(2) 0.05070(13) Uani 1 1 d . . .
N33 N 1.5259(19) 0.9044(16) 0.9085(14) 0.068(4) Uani 0.52(2) 1 d PU A 1
O31 O 1.459(2) 0.7937(19) 0.8559(16) 0.156(10) Uani 0.52(2) 1 d PU A 1
O32 O 1.492(2) 0.9600(17) 0.8815(17) 0.178(10) Uani 0.52(2) 1 d PU A 1
O33 O 1.6142(14) 0.9141(17) 0.9426(8) 0.104(6) Uani 0.52(2) 1 d PU A 1
N331 N 1.4988(16) 0.8824(14) 0.8735(11) 0.044(5) Uani 0.48(2) 1 d PU A 2
O331 O 1.488(2) 0.807(2) 0.9016(14) 0.110(9) Uani 0.48(2) 1 d P A 2
O332 O 1.435(2) 0.915(2) 0.8389(12) 0.121(9) Uani 0.48(2) 1 d P A 2
O333 O 1.6133(18) 0.9776(15) 0.9083(19) 0.174(12) Uani 0.48(2) 1 d P A 2
N44 N 1.6018(3) 0.4636(2) 0.59450(17) 0.0069(6) Uiso 1 1 d D . .
O41 O 1.6949(8) 0.5142(8) 0.6565(4) 0.062(2) Uani 0.653(8) 1 d PDU B 3
O42 O 1.4846(5) 0.4006(5) 0.6034(4) 0.065(2) Uani 0.653(8) 1 d PD B 3
O43 O 1.6188(9) 0.5535(7) 0.5556(5) 0.096(3) Uani 0.653(8) 1 d PDU B 3
O441 O 1.6298(10) 0.3910(9) 0.5354(5) 0.062(4) Uani 0.347(8) 1 d PD B 4
O442 O 1.6609(18) 0.5649(15) 0.6003(10) 0.186(11) Uani 0.347(8) 1 d PDU B 4
O443 O 1.6768(14) 0.4636(11) 0.6633(7) 0.044(4) Uani 0.347(8) 1 d PDU A 4
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 C1 C2 122.4(4) . 2_977 ?
N1 C2 C1 119.7(4) . 2_977 ?
N1 C2 C3 120.5(4) . . ?
C1 C2 C3 119.8(4) 2_977 . ?
C2 C3 S1 116.3(3) . . ?
C5 C4 S1 114.8(4) . . ?
N2 C5 C6 120.8(5) . . ?
N2 C5 C4 118.3(4) . . ?
C6 C5 C4 120.9(5) . . ?
C7 C6 C5 119.6(5) . . ?
C6 C7 C8 118.9(5) . . ?
C9 C8 C7 118.6(6) . . ?
N2 C9 C8 123.1(6) . . ?
N3 C10 C11 123.7(5) . . ?
C12 C11 C10 118.2(6) . . ?
C11 C12 C13 119.7(5) . . ?
C12 C13 C14 118.6(5) . . ?
N3 C14 C13 122.0(5) . . ?
N3 C14 C15 118.7(5) . . ?
C13 C14 C15 119.3(5) . . ?
C14 C15 S2 117.4(4) . . ?
C17 C16 S2 113.3(3) . . ?
N4 C17 C18 121.0(4) . 2_867 ?
N4 C17 C16 117.8(4) . . ?
C18 C17 C16 121.2(4) 2_867 . ?
N4 C18 C17 122.4(4) . 2_867 ?
N5 C19 C20 122.5(5) . . ?
C19 C20 C21 119.7(5) . . ?
C22 C21 C20 118.1(5) . . ?
C21 C22 C23 120.1(5) . . ?
N5 C23 C22 121.4(5) . . ?
N5 C23 C24 117.7(4) . . ?
C22 C23 C24 120.9(5) . . ?
C23 C24 S3 116.1(4) . . ?
C27 C26 S3 114.9(3) . . ?
N6 C27 C28 120.7(4) . . ?
N6 C27 C26 118.9(4) . . ?
C28 C27 C26 120.4(4) . . ?
N6 C28 C27 121.6(4) 2_766 . ?
C31 C30 S4 116.1(3) . . ?
N7 C31 C32 120.1(4) . . ?
N7 C31 C30 119.9(4) . . ?
C32 C31 C30 120.0(4) . . ?
N7 C32 C31 122.2(4) 2_656 . ?
C34 C33 S4 114.7(3) . . ?
N8 C34 C35 121.7(5) . . ?
N8 C34 C33 116.9(4) . . ?
C35 C34 C33 121.4(5) . . ?
C34 C35 C36 119.8(5) . . ?
C35 C36 C37 118.6(5) . . ?
C38 C37 C36 119.0(6) . . ?
N8 C38 C37 122.2(5) . . ?
C1 N1 C2 117.9(4) . . ?
C1 N1 Ag1 126.0(3) . . ?
C2 N1 Ag1 116.0(3) . . ?
C9 N2 C5 118.9(5) . . ?
C9 N2 Ag2 117.8(4) . . ?
C5 N2 Ag2 123.0(3) . . ?
C10 N3 C14 117.8(5) . . ?
C10 N3 Ag2 124.7(4) . . ?
C14 N3 Ag2 117.4(3) . . ?
C18 N4 C17 116.6(4) . . ?
C18 N4 Ag1 121.6(3) . . ?
C17 N4 Ag1 121.8(3) . . ?
C19 N5 C23 118.0(4) . . ?
C19 N5 Ag4 120.1(3) . . ?
C23 N5 Ag4 121.9(3) . . ?
C27 N6 C28 117.8(4) . 2_766 ?
C27 N6 Ag3 118.9(3) . . ?
C28 N6 Ag3 122.9(3) 2_766 . ?
C32 N7 C31 117.7(4) 2_656 . ?
C32 N7 Ag3 124.2(3) 2_656 . ?
C31 N7 Ag3 117.6(3) . . ?
C38 N8 C34 118.6(4) . . ?
C38 N8 Ag4 118.1(4) . . ?
C34 N8 Ag4 123.2(3) . . ?
O11 N11 O13 123.3(5) . . ?
O11 N11 O12 117.9(6) . . ?
O13 N11 O12 118.8(5) . . ?
O21 N22 O22 118.5(5) . . ?
O21 N22 O23 121.3(5) . . ?
O22 N22 O23 120.1(4) . . ?
N11 O13 Ag4 119.5(4) . . ?
N22 O23 Ag4 109.9(3) . . ?
C3 S1 C4 102.4(2) . . ?
C3 S1 Ag1 95.31(16) . . ?
C4 S1 Ag1 111.59(17) . . ?
C16 S2 C15 100.4(2) . . ?
C16 S2 Ag2 111.03(15) . . ?
C15 S2 Ag2 93.41(19) . . ?
C26 S3 C24 100.6(3) . . ?
C26 S3 Ag3 91.73(18) . . ?
C24 S3 Ag3 106.51(18) . . ?
C30 S4 C33 100.7(2) . . ?
C30 S4 Ag3 94.77(16) . . ?
C33 S4 Ag3 107.84(18) . . ?
N4 Ag1 N1 122.99(13) . . ?
N4 Ag1 O33 118.9(4) . . ?
N1 Ag1 O33 77.7(4) . . ?
N4 Ag1 O331 97.9(4) . . ?
N1 Ag1 O331 113.6(6) . . ?
O33 Ag1 O331 35.9(6) . . ?
N4 Ag1 S1 150.59(10) . . ?
N1 Ag1 S1 77.66(10) . . ?
O33 Ag1 S1 83.8(4) . . ?
O331 Ag1 S1 90.7(4) . . ?
N4 Ag1 Ag2 73.37(10) . . ?
N1 Ag1 Ag2 116.28(10) . . ?
O33 Ag1 Ag2 154.1(3) . . ?
O331 Ag1 Ag2 124.9(6) . . ?
S1 Ag1 Ag2 78.62(4) . . ?
N2 Ag2 N3 122.62(15) . . ?
N2 Ag2 O443 102.4(4) . . ?
N3 Ag2 O443 98.9(3) . . ?
N2 Ag2 S2 152.56(12) . . ?
N3 Ag2 S2 78.50(11) . . ?
O443 Ag2 S2 90.0(3) . . ?
N2 Ag2 Ag1 77.69(12) . . ?
N3 Ag2 Ag1 114.12(10) . . ?
O443 Ag2 Ag1 140.9(3) . . ?
S2 Ag2 Ag1 77.36(4) . . ?
N6 Ag3 N7 118.97(13) . . ?
N6 Ag3 S4 123.14(10) . . ?
N7 Ag3 S4 78.34(10) . . ?
N6 Ag3 S3 76.47(10) . . ?
N7 Ag3 S3 111.27(10) . . ?
S4 Ag3 S3 152.00(5) . . ?
N6 Ag3 Ag4 119.70(9) . . ?
N7 Ag3 Ag4 120.45(10) . . ?
S4 Ag3 Ag4 78.56(4) . . ?
S3 Ag3 Ag4 73.96(4) . . ?
N8 Ag4 N5 143.40(14) . . ?
N8 Ag4 O23 121.21(13) . . ?
N5 Ag4 O23 89.58(13) . . ?
N8 Ag4 O13 84.57(14) . . ?
N5 Ag4 O13 124.45(14) . . ?
O23 Ag4 O13 76.94(13) . . ?
N8 Ag4 Ag3 72.48(10) . . ?
N5 Ag4 Ag3 70.94(10) . . ?
O23 Ag4 Ag3 142.11(9) . . ?
O13 Ag4 Ag3 140.89(10) . . ?
O33 N33 O32 138(3) . . ?
O33 N33 O31 112(2) . . ?
O32 N33 O31 103(2) . . ?
N33 O33 Ag1 116.6(18) . . ?
O331 N331 O332 141(2) . . ?
O331 N331 O333 109(2) . . ?
O332 N331 O333 107.8(17) . . ?
N331 O331 Ag1 121.3(14) . . ?
O442 N44 O42 131.5(10) . . ?
O442 N44 O41 67.7(8) . . ?
O42 N44 O41 119.8(5) . . ?
O442 N44 O43 37.1(8) . . ?
O42 N44 O43 115.2(5) . . ?
O41 N44 O43 104.5(5) . . ?
O442 N44 O441 117.2(10) . . ?
O42 N44 O441 103.7(5) . . ?
O41 N44 O441 112.6(6) . . ?
O43 N44 O441 99.2(6) . . ?
O442 N44 O443 93.9(9) . . ?
O42 N44 O443 102.9(7) . . ?
O41 N44 O443 26.2(5) . . ?
O43 N44 O443 130.5(6) . . ?
O441 N44 O443 101.0(7) . . ?
N44 O443 Ag2 129.8(9) . . ?
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
C1 N1 1.329(6) . ?
C1 C2 1.399(6) 2_977 ?
C2 N1 1.348(6) . ?
C2 C1 1.399(6) 2_977 ?
C2 C3 1.502(6) . ?
C3 S1 1.809(5) . ?
C4 C5 1.505(7) . ?
C4 S1 1.821(6) . ?
C5 N2 1.360(6) . ?
C5 C6 1.396(7) . ?
C6 C7 1.381(8) . ?
C7 C8 1.386(9) . ?
C8 C9 1.385(8) . ?
C9 N2 1.328(7) . ?
C10 N3 1.340(7) . ?
C10 C11 1.395(8) . ?
C11 C12 1.361(8) . ?
C12 C13 1.394(8) . ?
C13 C14 1.404(7) . ?
C14 N3 1.343(6) . ?
C14 C15 1.503(8) . ?
C15 S2 1.825(6) . ?
C16 C17 1.498(6) . ?
C16 S2 1.821(5) . ?
C17 N4 1.350(5) . ?
C17 C18 1.398(6) 2_867 ?
C18 N4 1.341(5) . ?
C18 C17 1.398(6) 2_867 ?
C19 N5 1.342(7) . ?
C19 C20 1.372(7) . ?
C20 C21 1.390(8) . ?
C21 C22 1.361(8) . ?
C22 C23 1.396(7) . ?
C23 N5 1.352(6) . ?
C23 C24 1.510(7) . ?
C24 S3 1.816(5) . ?
C26 C27 1.519(7) . ?
C26 S3 1.813(5) . ?
C27 N6 1.344(6) . ?
C27 C28 1.394(6) . ?
C28 N6 1.345(6) 2_766 ?
C30 C31 1.517(6) . ?
C30 S4 1.807(5) . ?
C31 N7 1.343(6) . ?
C31 C32 1.375(6) . ?
C32 N7 1.336(6) 2_656 ?
C33 C34 1.506(7) . ?
C33 S4 1.821(5) . ?
C34 N8 1.343(6) . ?
C34 C35 1.365(7) . ?
C35 C36 1.377(8) . ?
C36 C37 1.383(8) . ?
C37 C38 1.371(7) . ?
C38 N8 1.343(7) . ?
N1 Ag1 2.405(4) . ?
N2 Ag2 2.242(4) . ?
N3 Ag2 2.359(4) . ?
N4 Ag1 2.248(4) . ?
N5 Ag4 2.287(4) . ?
N6 C28 1.345(6) 2_766 ?
N6 Ag3 2.337(4) . ?
N7 C32 1.336(6) 2_656 ?
N7 Ag3 2.352(4) . ?
N8 Ag4 2.266(4) . ?
N11 O11 1.214(6) . ?
N11 O13 1.243(6) . ?
N11 O12 1.255(6) . ?
N22 O21 1.228(5) . ?
N22 O22 1.250(5) . ?
N22 O23 1.268(6) . ?
O13 Ag4 2.583(4) . ?
O23 Ag4 2.548(4) . ?
S1 Ag1 2.5790(14) . ?
S2 Ag2 2.5799(18) . ?
S3 Ag3 2.6939(17) . ?
S4 Ag3 2.6043(15) . ?
Ag1 O33 2.490(17) . ?
Ag1 O331 2.52(2) . ?
Ag1 Ag2 3.0666(11) . ?
Ag2 O443 2.523(13) . ?
Ag3 Ag4 2.9477(9) . ?
N33 O33 1.10(2) . ?
N33 O32 1.13(3) . ?
N33 O31 1.43(4) . ?
N331 O331 1.15(3) . ?
N331 O332 1.181(18) . ?
N331 O333 1.38(3) . ?
N44 O442 1.187(17) . ?
N44 O42 1.269(6) . ?
N44 O41 1.337(8) . ?
N44 O43 1.413(8) . ?
N44 O441 1.425(11) . ?
N44 O443 1.449(11) . ?
