#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:51:50 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179458 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/55/4335527.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_4335527
loop_
_publ_author_name
'Seul-Gi Lee'
'Ki-Min Park'
'Yoichi Habata'
'Shim Sung Lee'
_publ_section_title
;
 Endo- and Exocyclic Supramolecular Complexes of Mixed-Donor Macrocycles
 via [1:1] and [2:2] Cyclizations
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8416
_journal_page_last               8426
_journal_paper_doi               10.1021/ic400247q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
'C50 H60 Ag2 N7 O13 S4, 3(N O3), C2 H3 N, 3(O H2)'
_chemical_formula_sum            'C52 H69 Ag2 N11 O25 S4'
_chemical_formula_weight         1592.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.8660(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.1368(3)
_cell_length_b                   25.1483(3)
_cell_length_c                   14.0307(2)
_cell_measurement_reflns_used    9673
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.57
_cell_volume                     6334.04(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0420
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26471
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.841
_exptl_absorpt_correction_T_max  0.8249
_exptl_absorpt_correction_T_min  0.7817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_description       block
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.457
_refine_diff_density_min         -0.755
_refine_diff_density_rms         0.122
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.14(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     848
_refine_ls_number_reflns         10845
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0548
_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)+(0.1081P)²+8.7831P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1466
_refine_ls_wR_factor_ref         0.1537
_reflns_number_gt                9773
_reflns_number_total             10845
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic400247q_si_002_7.cif
_cod_data_source_block           7
_cod_original_cell_volume        6334.04(15)
_cod_database_code               4335527
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
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
Ag1 Ag 0.01162(4) 0.24997(2) 0.98522(5) 0.03880(14) Uani 1 1 d .
Ag2 Ag 0.47072(3) 0.23719(2) 1.08414(5) 0.04654(17) Uani 1 1 d .
S1 S -0.05145(10) 0.33797(6) 0.97372(13) 0.0329(3) Uani 1 1 d .
S2 S -0.02367(9) 0.15575(6) 1.00125(12) 0.0296(3) Uani 1 1 d .
S3 S 0.49374(10) 0.14442(7) 1.04473(14) 0.0350(4) Uani 1 1 d .
S4 S 0.48421(9) 0.33205(7) 1.03594(13) 0.0351(4) Uani 1 1 d .
N1 N 0.2220(2) 0.4543(2) 1.0212(4) 0.0246(10) Uani 1 1 d .
H1 H 0.2221 0.4891 1.0145 0.030 Uiso 1 1 calc R
N2 N -0.1619(4) 0.2354(2) 0.9247(5) 0.0378(13) Uani 1 1 d .
H2B H -0.2010 0.2134 0.8778 0.045 Uiso 1 1 calc R
H2C H -0.1294 0.2355 0.8999 0.045 Uiso 1 1 calc R
N3 N 0.2273(3) 0.0299(2) 1.0055(3) 0.0227(10) Uani 1 1 d .
H3 H 0.2261 -0.0051 1.0084 0.027 Uiso 1 1 calc R
N4 N 0.5809(5) 0.2404(3) 0.9883(7) 0.0532(19) Uani 1 1 d .
H4C H 0.5310 0.2391 0.9630 0.064 Uiso 1 1 calc R
H4D H 0.5855 0.2383 0.9267 0.064 Uiso 1 1 calc R
O1 O 0.0281(2) 0.43438(16) 0.9151(4) 0.0279(9) Uani 1 1 d .
O2 O 0.0366(2) 0.05785(15) 0.9172(3) 0.0253(8) Uani 1 1 d .
O3 O 0.4212(2) 0.04839(17) 1.1090(4) 0.0283(9) Uani 1 1 d .
O4 O 0.4138(2) 0.42871(16) 1.1144(3) 0.0267(9) Uani 1 1 d .
C1 C 0.2224(4) 0.3480(3) 1.0471(8) 0.056(2) Uani 1 1 d .
H1A H 0.2230 0.3107 1.0586 0.067 Uiso 1 1 calc R
C2 C 0.1577(4) 0.3763(3) 1.0092(6) 0.0416(16) Uani 1 1 d .
H2A H 0.1133 0.3586 0.9922 0.050 Uiso 1 1 calc R
C3 C 0.1579(3) 0.4304(2) 0.9959(5) 0.0259(12) Uani 1 1 d .
C4 C 0.0922(3) 0.4668(2) 0.9589(5) 0.0272(12) Uani 1 1 d .
H4A H 0.0989 0.4877 1.0233 0.033 Uiso 1 1 calc R
H4B H 0.0872 0.4917 0.9007 0.033 Uiso 1 1 calc R
C5 C -0.0384(3) 0.4600(2) 0.8770(5) 0.0222(11) Uani 1 1 d .
C6 C -0.0459(3) 0.5147(2) 0.8766(5) 0.0258(12) Uani 1 1 d .
H6A H -0.0034 0.5369 0.9047 0.031 Uiso 1 1 calc R
C7 C -0.1163(4) 0.5370(3) 0.8347(5) 0.0294(13) Uani 1 1 d .
H7A H -0.1214 0.5745 0.8352 0.035 Uiso 1 1 calc R
C8 C -0.1784(4) 0.5052(3) 0.7927(5) 0.0312(13) Uani 1 1 d .
H8A H -0.2262 0.5207 0.7634 0.037 Uiso 1 1 calc R
C9 C -0.1707(3) 0.4499(2) 0.7934(5) 0.0286(12) Uani 1 1 d .
H9A H -0.2135 0.4279 0.7643 0.034 Uiso 1 1 calc R
C10 C -0.1005(3) 0.4265(2) 0.8364(4) 0.0224(11) Uani 1 1 d .
C11 C -0.0928(3) 0.3676(2) 0.8346(5) 0.0255(12) Uani 1 1 d .
H11A H -0.0613 0.3590 0.8037 0.031 Uiso 1 1 calc R
H11B H -0.1425 0.3517 0.7842 0.031 Uiso 1 1 calc R
C12 C -0.1308(4) 0.3314(3) 0.9892(7) 0.0437(17) Uani 1 1 d .
H12A H -0.1120 0.3223 1.0685 0.052 Uiso 1 1 calc R
H12B H -0.1553 0.3665 0.9744 0.052 Uiso 1 1 calc R
C13 C -0.1912(4) 0.2896(3) 0.9138(7) 0.0449(17) Uani 1 1 d .
H13A H -0.2299 0.2891 0.9332 0.054 Uiso 1 1 calc R
H13B H -0.2153 0.3009 0.8344 0.054 Uiso 1 1 calc R
C14 C -0.1234(5) 0.2123(3) 1.0379(7) 0.0461(17) Uani 1 1 d .
H14A H -0.1588 0.2098 1.0635 0.055 Uiso 1 1 calc R
H14B H -0.0826 0.2365 1.0897 0.055 Uiso 1 1 calc R
C15 C -0.0909(4) 0.1574(3) 1.0445(6) 0.0396(16) Uani 1 1 d .
H15A H -0.1322 0.1327 0.9965 0.048 Uiso 1 1 calc R
H15B H -0.0665 0.1444 1.1227 0.048 Uiso 1 1 calc R
C16 C -0.0772(3) 0.1277(2) 0.8592(5) 0.0274(12) Uani 1 1 d .
H16A H -0.1265 0.1453 0.8175 0.033 Uiso 1 1 calc R
H16B H -0.0510 0.1358 0.8197 0.033 Uiso 1 1 calc R
C17 C -0.0886(3) 0.0683(2) 0.8570(5) 0.0237(11) Uani 1 1 d .
C18 C -0.1580(3) 0.0474(3) 0.8215(5) 0.0285(13) Uani 1 1 d .
H18A H -0.1982 0.0708 0.8029 0.034 Uiso 1 1 calc R
C19 C -0.1700(3) -0.0077(3) 0.8123(5) 0.0318(13) Uani 1 1 d .
H19A H -0.2181 -0.0218 0.7870 0.038 Uiso 1 1 calc R
C20 C -0.1116(4) -0.0409(3) 0.8404(5) 0.0311(13) Uani 1 1 d .
H20A H -0.1191 -0.0783 0.8347 0.037 Uiso 1 1 calc R
C21 C -0.0401(3) -0.0205(2) 0.8776(5) 0.0276(12) Uani 1 1 d .
H21A H 0.0003 -0.0439 0.8979 0.033 Uiso 1 1 calc R
C22 C -0.0293(3) 0.0339(2) 0.8844(4) 0.0219(11) Uani 1 1 d .
C23 C 0.0975(3) 0.0234(2) 0.9446(5) 0.0232(11) Uani 1 1 d .
H23A H 0.0850 0.0003 0.8797 0.028 Uiso 1 1 calc R
H23B H 0.1083 0.0003 1.0088 0.028 Uiso 1 1 calc R
C24 C 0.1640(3) 0.0571(2) 0.9746(4) 0.0233(11) Uani 1 1 d .
C25 C 0.1656(4) 0.1121(3) 0.9721(6) 0.0347(14) Uani 1 1 d .
H25A H 0.1225 0.1324 0.9530 0.042 Uiso 1 1 calc R
C26 C 0.2309(4) 0.1368(3) 0.9979(6) 0.0419(16) Uani 1 1 d .
H26A H 0.2325 0.1745 0.9957 0.050 Uiso 1 1 calc R
C27 C 0.2951(4) 0.1076(3) 1.0274(6) 0.0364(15) Uani 1 1 d .
H27A H 0.3397 0.1249 1.0436 0.044 Uiso 1 1 calc R
C28 C 0.2915(3) 0.0530(2) 1.0320(4) 0.0252(12) Uani 1 1 d .
C29 C 0.3566(3) 0.0164(2) 1.0693(5) 0.0270(12) Uani 1 1 d .
H29A H 0.3625 -0.0072 1.1299 0.032 Uiso 1 1 calc R
H29B H 0.3486 -0.0059 1.0057 0.032 Uiso 1 1 calc R
C30 C 0.4873(3) 0.0226(2) 1.1484(5) 0.0272(12) Uani 1 1 d .
C31 C 0.4954(4) -0.0329(3) 1.1531(5) 0.0321(13) Uani 1 1 d .
H31A H 0.4532 -0.0553 1.1268 0.039 Uiso 1 1 calc R
C32 C 0.5665(4) -0.0547(3) 1.1971(6) 0.0383(15) Uani 1 1 d .
H32A H 0.5726 -0.0923 1.2013 0.046 Uiso 1 1 calc R
C33 C 0.6277(4) -0.0221(3) 1.2345(6) 0.0388(15) Uani 1 1 d .
H33A H 0.6757 -0.0374 1.2644 0.047 Uiso 1 1 calc R
C34 C 0.6198(4) 0.0334(3) 1.2288(5) 0.0344(14) Uani 1 1 d .
H34A H 0.6623 0.0554 1.2543 0.041 Uiso 1 1 calc R
C35 C 0.5490(3) 0.0564(3) 1.1854(5) 0.0279(12) Uani 1 1 d .
C36 C 0.5406(4) 0.1153(3) 1.1849(5) 0.0322(13) Uani 1 1 d .
H36A H 0.5906 0.1315 1.2310 0.039 Uiso 1 1 calc R
H36B H 0.5119 0.1241 1.2203 0.039 Uiso 1 1 calc R
C37 C 0.5720(5) 0.1454(3) 1.0234(8) 0.050(2) Uani 1 1 d .
H37A H 0.6041 0.1143 1.0624 0.060 Uiso 1 1 calc R
H37B H 0.5520 0.1410 0.9422 0.060 Uiso 1 1 calc R
C38 C 0.6189(5) 0.1936(3) 1.0624(8) 0.054(2) Uani 1 1 d .
H38A H 0.6658 0.1864 1.0650 0.065 Uiso 1 1 calc R
H38B H 0.6318 0.2021 1.1396 0.065 Uiso 1 1 calc R
C39 C 0.6123(5) 0.2932(3) 1.0468(8) 0.0514(19) Uani 1 1 d .
H39A H 0.6313 0.2894 1.1278 0.062 Uiso 1 1 calc R
H39B H 0.6544 0.3036 1.0388 0.062 Uiso 1 1 calc R
C40 C 0.5546(5) 0.3353(3) 0.9985(8) 0.052(2) Uani 1 1 d .
H40A H 0.5290 0.3337 0.9157 0.062 Uiso 1 1 calc R
H40B H 0.5797 0.3703 1.0226 0.062 Uiso 1 1 calc R
C41 C 0.5343(3) 0.3632(2) 1.1751(5) 0.0289(12) Uani 1 1 d .
H41A H 0.5085 0.3542 1.2149 0.035 Uiso 1 1 calc R
H41B H 0.5851 0.3480 1.2188 0.035 Uiso 1 1 calc R
C42 C 0.5401(3) 0.4219(2) 1.1719(4) 0.0260(12) Uani 1 1 d .
C43 C 0.6075(3) 0.4457(2) 1.2018(5) 0.0259(12) Uani 1 1 d .
H43A H 0.6494 0.4239 1.2220 0.031 Uiso 1 1 calc R
C44 C 0.6150(4) 0.5005(3) 1.2028(5) 0.0318(13) Uani 1 1 d .
H44A H 0.6616 0.5161 1.2246 0.038 Uiso 1 1 calc R
C45 C 0.5534(3) 0.5319(2) 1.1716(5) 0.0283(12) Uani 1 1 d .
H45A H 0.5582 0.5695 1.1721 0.034 Uiso 1 1 calc R
C46 C 0.4849(3) 0.5100(2) 1.1395(4) 0.0258(12) Uani 1 1 d .
H46A H 0.4427 0.5321 1.1166 0.031 Uiso 1 1 calc R
C47 C 0.4789(3) 0.4544(2) 1.1416(5) 0.0243(11) Uani 1 1 d .
C48 C 0.3511(3) 0.4615(2) 1.0796(5) 0.0258(12) Uani 1 1 d .
H48A H 0.3392 0.4812 1.0110 0.031 Uiso 1 1 calc R
H48B H 0.3619 0.4876 1.1391 0.031 Uiso 1 1 calc R
C49 C 0.2863(3) 0.4277(3) 1.0564(5) 0.0277(13) Uani 1 1 d .
C50 C 0.2867(4) 0.3736(3) 1.0687(6) 0.0401(16) Uani 1 1 d .
H50A H 0.3308 0.3539 1.0919 0.048 Uiso 1 1 calc R
N5 N 0.0849(4) 0.2577(2) 0.8544(5) 0.0347(13) Uani 1 1 d .
O5 O 0.0348(3) 0.2906(2) 0.8324(5) 0.0593(15) Uani 1 1 d .
O6 O 0.1094(4) 0.2310(3) 0.9430(6) 0.0676(19) Uani 1 1 d .
O7 O 0.1075(5) 0.2540(2) 0.7910(7) 0.0645(19) Uani 1 1 d .
N6 N 0.3758(4) 0.2506(2) 1.1778(5) 0.0323(13) Uani 1 1 d .
O8 O 0.3680(4) 0.2150(3) 1.1141(5) 0.0612(16) Uani 1 1 d .
O9 O 0.4218(4) 0.2860(2) 1.1978(6) 0.0657(17) Uani 1 1 d .
O10 O 0.3404(4) 0.2516(2) 1.2260(6) 0.0522(15) Uani 1 1 d .
N7 N 0.2301(4) 0.5869(3) 1.0064(7) 0.0562(19) Uani 1 1 d .
O11 O 0.2715(4) 0.5652(3) 0.9830(6) 0.0697(18) Uani 1 1 d .
O12 O 0.2122(5) 0.6337(3) 0.9774(8) 0.088(2) Uani 1 1 d U
O13 O 0.1974(4) 0.5604(3) 1.0401(6) 0.0651(17) Uani 1 1 d .
N8 N 0.2028(4) 0.0986(3) 0.4560(8) 0.062(2) Uani 1 1 d .
O14 O 0.2388(4) 0.0751(3) 0.4228(7) 0.081(2) Uani 1 1 d .
O15 O 0.1948(5) 0.0766(3) 0.5291(7) 0.082(2) Uani 1 1 d .
O16 O 0.1749(5) 0.1421(3) 0.4170(7) 0.089(2) Uani 1 1 d U
N9 N 0.1013(5) 0.2540(3) 1.2584(7) 0.061(2) Uani 1 1 d .
O17 O 0.1173(4) 0.2632(3) 1.1846(6) 0.080(2) Uani 1 1 d .
O18 O 0.0456(7) 0.2294(5) 1.2325(10) 0.116(3) Uani 1 1 d U
O19 O 0.1440(5) 0.2670(3) 1.3537(5) 0.072(2) Uani 1 1 d .
N10 N 0.4037(8) 0.2081(6) 0.7734(12) 0.114(4) Uani 1 1 d U
O20 O 0.4504(9) 0.1784(6) 0.7710(13) 0.169(5) Uani 1 1 d U
O21 O 0.3338(6) 0.2102(5) 0.6889(9) 0.119(3) Uani 1 1 d U
O22 O 0.4252(7) 0.2468(4) 0.8368(10) 0.112(3) Uani 1 1 d U
N11 N 1.2520(5) 0.3688(4) 0.8036(9) 0.084(3) Uani 1 1 d .
C51 C 1.2703(8) 0.3266(6) 0.8269(12) 0.097(4) Uani 1 1 d U
C52 C 1.2863(9) 0.2711(7) 0.8575(15) 0.125(6) Uani 1 1 d .
H52A H 1.3266 0.2594 0.8473 0.188 Uiso 1 1 calc R
H52B H 1.2416 0.2499 0.8096 0.188 Uiso 1 1 calc R
H52C H 1.3016 0.2666 0.9362 0.188 Uiso 1 1 calc R
O1W O 0.2292(4) 0.6606(3) 0.7947(5) 0.0629(16) Uani 1 1 d .
O2W O 0.2483(7) 0.1377(5) 0.7384(11) 0.146(4) Uani 1 1 d U
O3W O 0.1824(7) 0.1390(6) 0.2087(12) 0.170(5) Uani 1 1 d .
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
O6 Ag1 O17 85.9(3) . .
O6 Ag1 S2 99.39(17) . .
O17 Ag1 S2 98.92(19) . .
O6 Ag1 S1 128.86(16) . .
O17 Ag1 S1 94.8(2) . .
S2 Ag1 S1 130.63(6) . .
O6 Ag1 O5 49.13(18) . .
O17 Ag1 O5 114.5(2) . .
S2 Ag1 O5 128.59(15) . .
S1 Ag1 O5 85.85(13) . .
O6 Ag1 Ag2 21.30(19) . .
O17 Ag1 Ag2 65.38(17) . .
S2 Ag1 Ag2 107.19(4) . .
S1 Ag1 Ag2 121.59(4) . .
O5 Ag1 Ag2 59.70(12) . .
O8 Ag2 S3 96.70(15) . .
O8 Ag2 S4 119.23(17) . .
S3 Ag2 S4 139.04(6) . .
O8 Ag2 O9 48.79(18) . .
S3 Ag2 O9 139.16(14) . .
S4 Ag2 O9 81.80(14) . .
O8 Ag2 O7 110.82(19) . 4
S3 Ag2 O7 95.03(13) . 4
S4 Ag2 O7 90.11(13) . 4
O9 Ag2 O7 81.7(2) . 4
O8 Ag2 Ag1 59.64(14) . 4
S3 Ag2 Ag1 110.73(4) . 4
S4 Ag2 Ag1 104.52(4) . 4
O9 Ag2 Ag1 37.87(17) . 4
O7 Ag2 Ag1 52.49(12) 4 4
O8 Ag2 Ag1 21.86(17) . .
S3 Ag2 Ag1 108.46(4) . .
S4 Ag2 Ag1 100.84(4) . .
O9 Ag2 Ag1 48.79(15) . .
O7 Ag2 Ag1 125.97(12) 4 .
Ag1 Ag2 Ag1 73.611(9) 4 .
C12 S1 C11 102.5(3) . .
C12 S1 Ag1 113.6(2) . .
C11 S1 Ag1 111.18(19) . .
C15 S2 C16 103.3(3) . .
C15 S2 Ag1 109.1(2) . .
C16 S2 Ag1 107.7(2) . .
C36 S3 C37 99.2(4) . .
C36 S3 Ag2 101.2(2) . .
C37 S3 Ag2 108.7(3) . .
C40 S4 C41 100.8(4) . .
C40 S4 Ag2 110.1(3) . .
C41 S4 Ag2 101.6(2) . .
C3 N1 C49 123.5(5) . .
C14 N2 C13 116.2(6) . .
C28 N3 C24 123.7(5) . .
C38 N4 C39 113.1(8) . .
C5 O1 C4 116.6(4) . .
C22 O2 C23 116.1(4) . .
C30 O3 C29 117.2(5) . .
C47 O4 C48 116.1(4) . .
C2 C1 C50 120.2(7) . .
C3 C2 C1 119.5(6) . .
N1 C3 C2 118.7(6) . .
N1 C3 C4 115.8(5) . .
C2 C3 C4 125.4(5) . .
O1 C4 C3 107.3(5) . .
O1 C5 C6 124.0(5) . .
O1 C5 C10 115.1(5) . .
C6 C5 C10 120.9(5) . .
C5 C6 C7 119.6(5) . .
C8 C7 C6 120.8(6) . .
C7 C8 C9 119.5(6) . .
C10 C9 C8 120.8(6) . .
C9 C10 C5 118.4(5) . .
C9 C10 C11 120.6(5) . .
C5 C10 C11 121.0(5) . .
C10 C11 S1 112.4(4) . .
C13 C12 S1 117.3(5) . .
N2 C13 C12 113.9(6) . .
N2 C14 C15 113.5(6) . .
C14 C15 S2 114.0(5) . .
C17 C16 S2 113.7(4) . .
C18 C17 C22 119.5(5) . .
C18 C17 C16 120.7(5) . .
C22 C17 C16 119.7(5) . .
C17 C18 C19 121.0(5) . .
C20 C19 C18 119.0(6) . .
C19 C20 C21 120.9(6) . .
C22 C21 C20 119.6(6) . .
O2 C22 C21 124.5(5) . .
O2 C22 C17 115.5(5) . .
C21 C22 C17 120.1(5) . .
O2 C23 C24 108.1(4) . .
N3 C24 C25 118.8(5) . .
N3 C24 C23 115.2(5) . .
C25 C24 C23 126.1(5) . .
C26 C25 C24 118.5(6) . .
C25 C26 C27 121.5(6) . .
C28 C27 C26 117.9(6) . .
N3 C28 C27 119.6(5) . .
N3 C28 C29 116.0(5) . .
C27 C28 C29 124.4(5) . .
O3 C29 C28 107.7(5) . .
O3 C30 C31 124.4(5) . .
O3 C30 C35 114.4(5) . .
C31 C30 C35 121.2(6) . .
C32 C31 C30 119.1(6) . .
C33 C32 C31 120.5(6) . .
C32 C33 C34 120.6(6) . .
C33 C34 C35 120.0(6) . .
C30 C35 C34 118.5(6) . .
C30 C35 C36 120.9(5) . .
C34 C35 C36 120.4(6) . .
C35 C36 S3 113.5(4) . .
C38 C37 S3 116.0(6) . .
C37 C38 N4 112.3(8) . .
C40 C39 N4 111.0(8) . .
C39 C40 S4 115.9(6) . .
C42 C41 S4 113.7(4) . .
C43 C42 C47 118.5(6) . .
C43 C42 C41 120.5(5) . .
C47 C42 C41 121.0(5) . .
C44 C43 C42 121.7(5) . .
C45 C44 C43 118.8(6) . .
C44 C45 C46 121.6(6) . .
C45 C46 C47 118.7(5) . .
O4 C47 C42 116.1(5) . .
O4 C47 C46 123.2(5) . .
C42 C47 C46 120.7(5) . .
O4 C48 C49 109.2(5) . .
N1 C49 C50 118.4(6) . .
N1 C49 C48 115.3(5) . .
C50 C49 C48 126.4(6) . .
C49 C50 C1 119.6(6) . .
O7 N5 O5 118.7(7) . .
O7 N5 O6 124.5(7) . .
O5 N5 O6 116.8(6) . .
N5 O5 Ag1 92.3(4) . .
N5 O6 Ag1 100.0(5) . .
O8 N6 O9 119.0(6) . .
O8 N6 O10 121.8(6) . .
O9 N6 O10 119.2(6) . .
N6 O8 Ag2 99.6(4) . .
N6 O9 Ag2 92.3(4) . .
O11 N7 O13 119.7(7) . .
O11 N7 O12 118.5(7) . .
O13 N7 O12 120.5(7) . .
O16 N8 O14 120.3(9) . .
O16 N8 O15 121.3(9) . .
O14 N8 O15 118.4(8) . .
O19 N9 O18 121.1(9) . .
O19 N9 O17 119.5(9) . .
O18 N9 O17 119.2(9) . .
N9 O17 Ag1 114.9(6) . .
O22 N10 O20 119.7(15) . .
O22 N10 O21 115.3(14) . .
O20 N10 O21 121.6(15) . .
N11 C51 C52 173.4(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 O6 2.479(7) .
Ag1 O17 2.515(7) .
Ag1 S2 2.5296(16) .
Ag1 S1 2.5443(16) .
Ag1 O5 2.644(6) .
Ag1 Ag2 9.0541(9) .
Ag2 O8 2.483(6) .
Ag2 S3 2.5039(17) .
Ag2 S4 2.5363(18) .
Ag2 O9 2.620(6) .
Ag2 O7 2.823(9) 4
Ag2 Ag1 5.2329(8) 4
S1 C12 1.809(7) .
S1 C11 1.824(6) .
S2 C15 1.817(7) .
S2 C16 1.836(6) .
S3 C36 1.825(7) .
S3 C37 1.830(8) .
S4 C40 1.821(8) .
S4 C41 1.834(6) .
N1 C3 1.347(7) .
N1 C49 1.352(8) .
N2 C14 1.467(10) .
N2 C13 1.473(10) .
N3 C28 1.337(8) .
N3 C24 1.353(7) .
N4 C38 1.494(11) .
N4 C39 1.517(11) .
O1 C5 1.372(7) .
O1 C4 1.413(7) .
O2 C22 1.356(7) .
O2 C23 1.426(7) .
O3 C30 1.365(7) .
O3 C29 1.421(7) .
O4 C47 1.380(7) .
O4 C48 1.411(7) .
C1 C2 1.374(10) .
C1 C50 1.387(10) .
C2 C3 1.372(9) .
C3 C4 1.510(8) .
C5 C6 1.385(8) .
C5 C10 1.402(8) .
C6 C7 1.397(9) .
C7 C8 1.374(9) .
C8 C9 1.402(9) .
C9 C10 1.401(8) .
C10 C11 1.494(8) .
C12 C13 1.558(11) .
C14 C15 1.523(11) .
C16 C17 1.512(8) .
C17 C18 1.379(8) .
C17 C22 1.398(8) .
C18 C19 1.405(9) .
C19 C20 1.366(9) .
C20 C21 1.408(9) .
C21 C22 1.381(8) .
C23 C24 1.500(8) .
C24 C25 1.385(9) .
C25 C26 1.377(10) .
C26 C27 1.399(9) .
C27 C28 1.378(9) .
C28 C29 1.501(8) .
C30 C31 1.402(9) .
C30 C35 1.405(8) .
C31 C32 1.401(9) .
C32 C33 1.381(10) .
C33 C34 1.403(10) .
C34 C35 1.409(9) .
C35 C36 1.492(9) .
C37 C38 1.475(12) .
C39 C40 1.481(12) .
C41 C42 1.485(9) .
C42 C43 1.390(8) .
C42 C47 1.392(8) .
C43 C44 1.385(9) .
C44 C45 1.383(9) .
C45 C46 1.384(8) .
C46 C47 1.406(8) .
C48 C49 1.494(8) .
C49 C50 1.369(9) .
N5 O7 1.214(9) .
N5 O5 1.248(8) .
N5 O6 1.259(9) .
N6 O8 1.214(8) .
N6 O9 1.236(8) .
N6 O10 1.246(9) .
N7 O11 1.213(9) .
N7 O13 1.221(9) .
N7 O12 1.236(10) .
N8 O16 1.226(11) .
N8 O14 1.232(10) .
N8 O15 1.252(10) .
N9 O19 1.198(11) .
N9 O18 1.204(13) .
N9 O17 1.269(11) .
N10 O22 1.233(16) .
N10 O20 1.250(18) .
N10 O21 1.319(15) .
N11 C51 1.118(16) .
C51 C52 1.446(19) .
