#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:41:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179759 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/55/7005538.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_7005538
loop_
_publ_author_name
'Barreiro, Elena'
'Casas, José S'
'Couce, María D'
'Sánchez, Agustín'
'Seoane, Rafael'
'Sordo, José'
'Varela, José M'
'Vázquez-López, Ezequiel M'
_publ_section_title
;
 Synthesis and antimicrobial activities of silver(I)
 sulfanylcarboxylates. Structural isomers with identically or unequally
 coordinated Ag centers in an Ag4S4 ring.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3074
_journal_page_last               3085
_journal_paper_doi               10.1039/b702936e
_journal_year                    2007
_chemical_formula_moiety         'C52 H96 Ag4 N4 O8 S4'
_chemical_formula_sum            'C52 H96 Ag4 N4 O8 S4'
_chemical_formula_weight         1465.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                90.000(5)
_cell_angle_beta                 99.078(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   13.115(5)
_cell_length_b                   17.310(5)
_cell_length_c                   27.739(5)
_cell_measurement_reflns_used    67192
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      52.728
_cell_measurement_theta_min      4.698
_cell_volume                     6218(3)
_computing_cell_refinement       'BRUKER SMART'
_computing_data_collection       'BRUKER SMART'
_computing_data_reduction        'BRUKER SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0495
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            65382
_diffrn_reflns_theta_full        26.48
_diffrn_reflns_theta_max         26.48
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    1.426
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.694006
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.560
_refine_diff_density_min         -1.649
_refine_diff_density_rms         0.148
_refine_ls_extinction_coef       0.00021(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     668
_refine_ls_number_reflns         12808
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.191
_refine_ls_R_factor_all          0.0803
_refine_ls_R_factor_gt           0.0590
_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)+(0.0210P)²+54.4808P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1273
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                10085
_reflns_number_total             12808
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b702936e.txt
_cod_data_source_block           15
_cod_database_code               7005538
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.76410(4) 0.21517(3) 0.292913(18) 0.02713(14) Uani 1 1 d . . .
S1 S 0.58773(12) 0.18838(10) 0.30222(6) 0.0210(3) Uani 1 1 d . A .
N1 N 1.1439(4) 0.0761(3) 0.1108(2) 0.0265(13) Uani 1 1 d . . .
H1A9 H 1.2136 0.0854 0.1128 0.032 Uiso 1 1 calc R . .
H1B9 H 1.1367 0.0322 0.1287 0.032 Uiso 1 1 calc R . .
Ag2 Ag 0.86480(4) 0.30634(3) 0.203621(18) 0.02490(13) Uani 1 1 d . A .
S2 S 0.93532(12) 0.25011(10) 0.28099(6) 0.0206(3) Uani 1 1 d . A .
N2 N 0.9251(4) -0.0109(3) 0.31612(19) 0.0233(12) Uani 1 1 d . . .
H2A9 H 0.8621 0.0025 0.3243 0.028 Uiso 1 1 calc R . .
H2B9 H 0.9452 -0.0562 0.3322 0.028 Uiso 1 1 calc R . .
Ag3 Ag 0.71363(4) 0.21281(3) 0.140030(18) 0.02320(13) Uani 1 1 d . . .
S3 S 0.77247(12) 0.33883(10) 0.12295(6) 0.0241(4) Uani 1 1 d . A .
N3 N 0.7545(5) -0.1302(4) 0.4135(2) 0.0345(15) Uani 1 1 d . . .
H3A9 H 0.7334 -0.0895 0.3930 0.041 Uiso 1 1 calc R . .
H3B9 H 0.8211 -0.1420 0.4096 0.041 Uiso 1 1 calc R . .
Ag4 Ag 0.59920(4) 0.13473(3) 0.223722(18) 0.02520(13) Uani 1 1 d . A .
S4 S 0.64073(12) 0.08825(10) 0.14722(6) 0.0223(3) Uani 1 1 d . A .
N4 N 0.6206(5) 0.4570(4) 0.2844(2) 0.0353(16) Uani 1 1 d . . .
H4A9 H 0.6907 0.4481 0.2893 0.042 Uiso 1 1 calc R . .
H4B9 H 0.6097 0.5009 0.3015 0.042 Uiso 1 1 calc R . .
O11 O 0.6569(5) -0.0184(4) 0.3512(3) 0.0369(16) Uani 0.80 1 d PU A 1
C11 C 0.6771(5) 0.0484(4) 0.3424(2) 0.0201(13) Uani 1 1 d . . .
O12 O 0.7650(5) 0.0724(4) 0.3346(2) 0.0323(14) Uani 0.80 1 d PU A 1
C12 C 0.5953(5) 0.1093(4) 0.3438(2) 0.0219(14) Uani 1 1 d . A .
C13 C 0.5304(5) 0.1075(4) 0.3763(3) 0.0295(16) Uani 1 1 d . . .
C14 C 0.5262(6) 0.0467(5) 0.4150(3) 0.040(2) Uani 1 1 d . A .
H14A H 0.5961 0.0353 0.4327 0.048 Uiso 1 1 calc R . .
H14B H 0.4952 -0.0017 0.4003 0.048 Uiso 1 1 calc R . .
C15 C 0.4587(10) 0.0822(7) 0.4490(4) 0.089(5) Uani 1 1 d . . .
H15A H 0.4185 0.0417 0.4628 0.107 Uiso 1 1 calc R A .
H15B H 0.5018 0.1097 0.4763 0.107 Uiso 1 1 calc R . .
C16 C 0.3895(8) 0.1364(6) 0.4194(4) 0.061(3) Uani 1 1 d . A .
H16A H 0.3687 0.1785 0.4400 0.074 Uiso 1 1 calc R . .
H16B H 0.3266 0.1095 0.4033 0.074 Uiso 1 1 calc R . .
C17 C 0.4498(6) 0.1688(5) 0.3814(3) 0.039(2) Uani 1 1 d . A .
H17A H 0.4040 0.1772 0.3499 0.047 Uiso 1 1 calc R . .
H17B H 0.4831 0.2184 0.3925 0.047 Uiso 1 1 calc R . .
O21 O 0.8821(6) 0.4389(5) 0.3515(3) 0.0349(18) Uani 0.70 1 d P A 1
C21 C 0.8832(5) 0.3976(4) 0.3150(2) 0.0220(14) Uani 1 1 d . . .
O22 O 0.8262(5) 0.4076(4) 0.2738(3) 0.0291(15) Uani 0.70 1 d PU A 1
C22 C 0.9628(5) 0.3335(4) 0.3182(2) 0.0187(13) Uani 1 1 d . A .
C23 C 1.0530(5) 0.3386(4) 0.3477(3) 0.0238(14) Uani 1 1 d . . .
C24 C 1.1368(6) 0.2771(4) 0.3528(3) 0.0354(18) Uani 1 1 d . A .
H24A H 1.1638 0.2702 0.3217 0.043 Uiso 1 1 calc R . .
H24B H 1.1100 0.2270 0.3625 0.043 Uiso 1 1 calc R . .
C25 C 1.2208(8) 0.3079(6) 0.3926(5) 0.091(5) Uani 1 1 d . . .
H25A H 1.2198 0.2788 0.4233 0.109 Uiso 1 1 calc R A .
H25B H 1.2895 0.3007 0.3827 0.109 Uiso 1 1 calc R . .
C26 C 1.2038(7) 0.3865(7) 0.4003(4) 0.068(3) Uani 1 1 d . A .
H26A H 1.2494 0.4181 0.3830 0.082 Uiso 1 1 calc R . .
H26B H 1.2198 0.3984 0.4356 0.082 Uiso 1 1 calc R . .
C27 C 1.0932(5) 0.4050(4) 0.3816(3) 0.0302(16) Uani 1 1 d . A .
H27A H 1.0876 0.4546 0.3636 0.036 Uiso 1 1 calc R . .
H27B H 1.0531 0.4090 0.4090 0.036 Uiso 1 1 calc R . .
O31 O 1.0027(3) 0.3470(3) 0.15078(16) 0.0274(11) Uani 1 1 d . . .
C31 C 0.9801(5) 0.3319(4) 0.1055(2) 0.0225(14) Uani 1 1 d . A .
O32 O 1.0454(4) 0.3259(3) 0.07801(18) 0.0370(13) Uani 1 1 d . . .
C32 C 0.8671(5) 0.3246(4) 0.0834(2) 0.0207(13) Uani 1 1 d . . .
C33 C 0.8345(5) 0.3136(4) 0.0353(2) 0.0271(15) Uani 1 1 d . A .
C34 C 0.7231(6) 0.3114(5) 0.0124(3) 0.040(2) Uani 1 1 d . . .
H34A H 0.6879 0.3599 0.0191 0.048 Uiso 1 1 calc R A .
H34B H 0.6873 0.2675 0.0254 0.048 Uiso 1 1 calc R . .
C35 C 0.7236(8) 0.3017(8) -0.0421(3) 0.074(4) Uani 1 1 d . A .
H35A H 0.6682 0.2658 -0.0564 0.088 Uiso 1 1 calc R . .
H35B H 0.7125 0.3521 -0.0590 0.088 Uiso 1 1 calc R . .
C36 C 0.8233(8) 0.2708(9) -0.0471(4) 0.088(5) Uani 1 1 d . . .
H36A H 0.8433 0.2875 -0.0785 0.105 Uiso 1 1 calc R A .
H36B H 0.8217 0.2136 -0.0464 0.105 Uiso 1 1 calc R . .
C37 C 0.9005(6) 0.3016(5) -0.0042(3) 0.0365(18) Uani 1 1 d . A .
H37A H 0.9561 0.2636 0.0061 0.044 Uiso 1 1 calc R . .
H37B H 0.9317 0.3508 -0.0128 0.044 Uiso 1 1 calc R . .
O41 O 0.4264(4) 0.0947(3) 0.17359(16) 0.0265(11) Uani 1 1 d . . .
C41 C 0.4222(5) 0.1017(4) 0.1278(2) 0.0231(14) Uani 1 1 d . A .
O42 O 0.3394(3) 0.1071(3) 0.09868(17) 0.0327(12) Uani 1 1 d . . .
C42 C 0.5215(5) 0.1011(4) 0.1066(2) 0.0200(13) Uani 1 1 d . . .
C43 C 0.5238(5) 0.1069(4) 0.0584(2) 0.0202(13) Uani 1 1 d . A .
C44 C 0.4355(5) 0.1247(4) 0.0173(2) 0.0275(15) Uani 1 1 d . . .
H44A H 0.3904 0.1658 0.0271 0.033 Uiso 1 1 calc R A .
H44B H 0.3934 0.0780 0.0080 0.033 Uiso 1 1 calc R . .
C45 C 0.4897(6) 0.1517(5) -0.0244(3) 0.040(2) Uani 1 1 d . A .
H45A H 0.5066 0.2074 -0.0213 0.048 Uiso 1 1 calc R . .
H45B H 0.4459 0.1425 -0.0564 0.048 Uiso 1 1 calc R . .
C46 C 0.5877(6) 0.1030(5) -0.0193(2) 0.0361(18) Uani 1 1 d . . .
H46A H 0.6409 0.1278 -0.0358 0.043 Uiso 1 1 calc R A .
H46B H 0.5732 0.0506 -0.0330 0.043 Uiso 1 1 calc R . .
C47 C 0.6219(5) 0.1000(4) 0.0361(2) 0.0253(15) Uani 1 1 d . A .
H47A H 0.6575 0.0506 0.0457 0.030 Uiso 1 1 calc R . .
H47B H 0.6696 0.1431 0.0470 0.030 Uiso 1 1 calc R . .
C1A C 1.1552(7) -0.0109(6) 0.0425(4) 0.064(3) Uani 1 1 d . . .
H1A1 H 1.1453 -0.0547 0.0637 0.096 Uiso 1 1 calc R . .
H1A2 H 1.2291 -0.0003 0.0446 0.096 Uiso 1 1 calc R . .
H1A3 H 1.1259 -0.0234 0.0087 0.096 Uiso 1 1 calc R . .
C2A C 1.1012(6) 0.0600(5) 0.0589(3) 0.040(2) Uani 1 1 d . . .
H2A H 1.0259 0.0482 0.0566 0.048 Uiso 1 1 calc R . .
C3A C 1.1131(7) 0.1284(7) 0.0271(3) 0.056(3) Uani 1 1 d . . .
H3A1 H 1.0771 0.1729 0.0384 0.084 Uiso 1 1 calc R . .
H3A2 H 1.0833 0.1165 -0.0067 0.084 Uiso 1 1 calc R . .
H3A3 H 1.1866 0.1406 0.0289 0.084 Uiso 1 1 calc R . .
C4A C 1.1413(7) 0.1411(6) 0.1885(3) 0.047(2) Uani 1 1 d . . .
H4A1 H 1.2167 0.1448 0.1922 0.071 Uiso 1 1 calc R . .
H4A2 H 1.1221 0.0924 0.2027 0.071 Uiso 1 1 calc R . .
H4A3 H 1.1143 0.1846 0.2053 0.071 Uiso 1 1 calc R . .
C5A C 1.0962(5) 0.1433(4) 0.1348(2) 0.0267(15) Uani 1 1 d . . .
H5A H 1.1171 0.1928 0.1205 0.032 Uiso 1 1 calc R . .
C9A C 0.9792(5) 0.1383(4) 0.1268(3) 0.0339(17) Uani 1 1 d . . .
H9A1 H 0.9528 0.1407 0.0917 0.051 Uiso 1 1 calc R . .
H9A2 H 0.9511 0.1816 0.1434 0.051 Uiso 1 1 calc R . .
H9A3 H 0.9581 0.0895 0.1401 0.051 Uiso 1 1 calc R . .
C1B C 0.8275(6) -0.0893(5) 0.2526(3) 0.0378(19) Uani 1 1 d . . .
H1B1 H 0.8507 -0.1354 0.2717 0.057 Uiso 1 1 calc R . .
H1B2 H 0.8155 -0.1023 0.2177 0.057 Uiso 1 1 calc R . .
H1B3 H 0.7632 -0.0703 0.2622 0.057 Uiso 1 1 calc R . .
C2B C 0.9098(5) -0.0269(4) 0.2620(2) 0.0236(14) Uani 1 1 d . . .
H2B H 0.9758 -0.0471 0.2531 0.028 Uiso 1 1 calc R . .
C3B C 0.8797(6) 0.0466(5) 0.2335(3) 0.0353(18) Uani 1 1 d . . .
H3B1 H 0.9353 0.0847 0.2408 0.053 Uiso 1 1 calc R . .
H3B2 H 0.8162 0.0675 0.2429 0.053 Uiso 1 1 calc R . .
H3B3 H 0.8682 0.0351 0.1985 0.053 Uiso 1 1 calc R . .
C4B C 1.0044(10) 0.0556(6) 0.3908(3) 0.066(3) Uani 1 1 d . . .
H4B1 H 0.9347 0.0655 0.3979 0.099 Uiso 1 1 calc R . .
H4B2 H 1.0503 0.0978 0.4040 0.099 Uiso 1 1 calc R . .
H4B3 H 1.0301 0.0068 0.4060 0.099 Uiso 1 1 calc R . .
C5B C 1.0014(6) 0.0505(4) 0.3355(2) 0.0349(18) Uani 1 1 d . . .
H5B H 0.9754 0.1010 0.3209 0.042 Uiso 1 1 calc R . .
C6B C 1.1048(6) 0.0363(5) 0.3221(3) 0.043(2) Uani 1 1 d . . .
H6B1 H 1.0990 0.0335 0.2865 0.065 Uiso 1 1 calc R . .
H6B2 H 1.1324 -0.0126 0.3365 0.065 Uiso 1 1 calc R . .
H6B3 H 1.1514 0.0786 0.3344 0.065 Uiso 1 1 calc R . .
O11B O 0.703(2) 0.0081(16) 0.3821(11) 0.0369(16) Uani 0.20 1 d PU A 2
O12B O 0.7043(18) 0.0321(15) 0.3047(10) 0.0323(14) Uani 0.20 1 d PU A 2
O21B O 0.9095(11) 0.4632(8) 0.3235(7) 0.023(3) Uani 0.30 1 d P A 2
O22B O 0.7870(12) 0.3741(9) 0.3136(6) 0.0291(15) Uani 0.30 1 d PU A 2
C1C C 0.6892(6) -0.2075(5) 0.3422(3) 0.044(2) Uani 1 1 d . . .
H1C1 H 0.7604 -0.2138 0.3363 0.067 Uiso 1 1 calc R . .
H1C2 H 0.6586 -0.1618 0.3248 0.067 Uiso 1 1 calc R . .
H1C3 H 0.6488 -0.2534 0.3304 0.067 Uiso 1 1 calc R . .
C2C C 0.6886(5) -0.1977(4) 0.3968(3) 0.0312(16) Uani 1 1 d . . .
H2C H 0.7196 -0.2449 0.4141 0.037 Uiso 1 1 calc R . .
C3C C 0.5783(6) -0.1881(5) 0.4075(3) 0.0402(19) Uani 1 1 d . . .
H3C1 H 0.5798 -0.1820 0.4427 0.060 Uiso 1 1 calc R . .
H3C2 H 0.5375 -0.2339 0.3961 0.060 Uiso 1 1 calc R . .
H3C3 H 0.5468 -0.1423 0.3905 0.060 Uiso 1 1 calc R . .
C4C C 0.7948(7) -0.1672(6) 0.5004(3) 0.050(2) Uani 1 1 d . . .
H4C1 H 0.7487 -0.2119 0.4942 0.075 Uiso 1 1 calc R . .
H4C2 H 0.7958 -0.1491 0.5339 0.075 Uiso 1 1 calc R . .
H4C3 H 0.8648 -0.1823 0.4959 0.075 Uiso 1 1 calc R . .
C5C C 0.7566(7) -0.1030(5) 0.4650(3) 0.048(2) Uani 1 1 d . . .
H5C H 0.6849 -0.0886 0.4696 0.058 Uiso 1 1 calc R . .
C6C C 0.8245(7) -0.0319(6) 0.4726(5) 0.065(3) Uani 1 1 d . . .
H6C1 H 0.7968 0.0081 0.4491 0.098 Uiso 1 1 calc R . .
H6C2 H 0.8948 -0.0453 0.4677 0.098 Uiso 1 1 calc R . .
H6C3 H 0.8259 -0.0125 0.5059 0.098 Uiso 1 1 calc R . .
C1D C 0.6161(11) 0.3893(6) 0.3592(3) 0.082(4) Uani 1 1 d . . .
H1D1 H 0.6914 0.3848 0.3627 0.123 Uiso 1 1 calc R . .
H1D2 H 0.5881 0.3444 0.3742 0.123 Uiso 1 1 calc R . .
H1D3 H 0.5979 0.4366 0.3753 0.123 Uiso 1 1 calc R . .
C2D C 0.5712(8) 0.3923(5) 0.3057(3) 0.050(2) Uani 1 1 d . . .
H2D H 0.5912 0.3436 0.2902 0.060 Uiso 1 1 calc R . .
C3D C 0.4545(8) 0.3982(6) 0.2962(4) 0.056(3) Uani 1 1 d . . .
H3D1 H 0.4303 0.3990 0.2609 0.084 Uiso 1 1 calc R . .
H3D2 H 0.4330 0.4459 0.3108 0.084 Uiso 1 1 calc R . .
H3D3 H 0.4246 0.3536 0.3107 0.084 Uiso 1 1 calc R . .
C4D C 0.5995(7) 0.4024(7) 0.2018(3) 0.063(3) Uani 1 1 d . . .
H4D1 H 0.5565 0.3608 0.2116 0.094 Uiso 1 1 calc R . .
H4D2 H 0.6720 0.3861 0.2072 0.094 Uiso 1 1 calc R . .
H4D3 H 0.5777 0.4140 0.1671 0.094 Uiso 1 1 calc R . .
C5D C 0.5877(5) 0.4734(5) 0.2317(3) 0.0349(19) Uani 1 1 d . . .
H5D H 0.5135 0.4895 0.2262 0.042 Uiso 1 1 calc R . .
C6D C 0.6529(7) 0.5395(7) 0.2182(3) 0.058(3) Uani 1 1 d . . .
H6D1 H 0.6435 0.5845 0.2385 0.088 Uiso 1 1 calc R . .
H6D2 H 0.6318 0.5527 0.1837 0.088 Uiso 1 1 calc R . .
H6D3 H 0.7258 0.5242 0.2237 0.088 Uiso 1 1 calc R . .
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
S2 Ag1 S1 176.01(6) . . ?
S2 Ag1 O12 110.20(13) . . ?
S1 Ag1 O12 73.78(13) . . ?
S2 Ag1 O22B 73.1(3) . . ?
S1 Ag1 O22B 103.8(3) . . ?
O12 Ag1 O22B 143.6(4) . . ?
S2 Ag1 Ag4 128.71(5) . . ?
S1 Ag1 Ag4 51.12(4) . . ?
O12 Ag1 Ag4 78.77(14) . . ?
O22B Ag1 Ag4 128.8(3) . . ?
S2 Ag1 Ag2 45.41(4) . . ?
S1 Ag1 Ag2 131.37(4) . . ?
O12 Ag1 Ag2 139.33(12) . . ?
O22B Ag1 Ag2 69.6(3) . . ?
Ag4 Ag1 Ag2 94.22(3) . . ?
C12 S1 Ag4 106.6(2) . . ?
C12 S1 Ag1 105.1(2) . . ?
Ag4 S1 Ag1 77.19(5) . . ?
C2A N1 C5A 116.6(6) . . ?
S2 Ag2 S3 168.15(6) . . ?
S2 Ag2 O31 114.15(11) . . ?
S3 Ag2 O31 73.07(11) . . ?
S2 Ag2 O22 73.22(15) . . ?
S3 Ag2 O22 112.72(14) . . ?
O31 Ag2 O22 116.94(19) . . ?
S2 Ag2 Ag3 116.28(5) . . ?
S3 Ag2 Ag3 51.87(4) . . ?
O31 Ag2 Ag3 106.00(10) . . ?
O22 Ag2 Ag3 127.00(15) . . ?
S2 Ag2 Ag1 45.25(4) . . ?
S3 Ag2 Ag1 125.90(5) . . ?
O31 Ag2 Ag1 158.13(11) . . ?
O22 Ag2 Ag1 68.79(16) . . ?
Ag3 Ag2 Ag1 82.96(2) . . ?
C22 S2 Ag1 103.5(2) . . ?
C22 S2 Ag2 101.7(2) . . ?
Ag1 S2 Ag2 89.34(6) . . ?
C5B N2 C2B 117.7(5) . . ?
S4 Ag3 S3 172.63(6) . . ?
S4 Ag3 Ag2 133.94(4) . . ?
S3 Ag3 Ag2 53.43(4) . . ?
S4 Ag3 Ag4 47.67(4) . . ?
S3 Ag3 Ag4 136.22(5) . . ?
Ag2 Ag3 Ag4 98.32(3) . . ?
C32 S3 Ag3 105.8(2) . . ?
C32 S3 Ag2 103.8(2) . . ?
Ag3 S3 Ag2 74.70(5) . . ?
C2C N3 C5C 117.9(6) . . ?
S1 Ag4 S4 170.25(6) . . ?
S1 Ag4 O41 114.95(11) . . ?
S4 Ag4 O41 74.64(11) . . ?
S1 Ag4 Ag1 51.69(4) . . ?
S4 Ag4 Ag1 118.56(5) . . ?
O41 Ag4 Ag1 163.87(11) . . ?
S1 Ag4 O12B 68.8(5) . . ?
S4 Ag4 O12B 108.6(5) . . ?
O41 Ag4 O12B 120.4(5) . . ?
Ag1 Ag4 O12B 66.3(5) . . ?
S1 Ag4 Ag3 126.20(5) . . ?
S4 Ag4 Ag3 46.87(4) . . ?
O41 Ag4 Ag3 101.16(10) . . ?
Ag1 Ag4 Ag3 84.05(3) . . ?
O12B Ag4 Ag3 124.6(4) . . ?
C42 S4 Ag3 99.0(2) . . ?
C42 S4 Ag4 102.5(2) . . ?
Ag3 S4 Ag4 85.46(6) . . ?
C2D N4 C5D 117.7(6) . . ?
O12B C11 O11 93.2(14) . . ?
O12B C11 O12 61.6(13) . . ?
O11 C11 O12 125.0(7) . . ?
O12B C11 O11B 122.7(18) . . ?
O11 C11 O11B 50.1(13) . . ?
O12 C11 O11B 101.2(13) . . ?
O12B C11 C12 120.0(13) . . ?
O11 C11 C12 118.7(6) . . ?
O12 C11 C12 116.2(6) . . ?
O11B C11 C12 116.5(13) . . ?
C11 O12 Ag1 115.0(5) . . ?
C13 C12 C11 122.1(6) . . ?
C13 C12 S1 118.6(5) . . ?
C11 C12 S1 119.2(5) . . ?
C12 C13 C14 126.6(6) . . ?
C12 C13 C17 124.9(6) . . ?
C14 C13 C17 108.4(6) . . ?
C13 C14 C15 104.5(7) . . ?
C16 C15 C14 106.3(8) . . ?
C15 C16 C17 106.3(7) . . ?
C13 C17 C16 104.6(6) . . ?
O21B C21 O21 48.4(9) . . ?
O21B C21 O22 99.0(10) . . ?
O21 C21 O22 124.9(7) . . ?
O21B C21 O22B 122.8(11) . . ?
O21 C21 O22B 93.9(9) . . ?
O22 C21 O22B 65.9(8) . . ?
O21B C21 C22 120.5(9) . . ?
O21 C21 C22 118.0(6) . . ?
O22 C21 C22 117.0(6) . . ?
O22B C21 C22 115.0(9) . . ?
C21 O22 Ag2 113.8(5) . . ?
C23 C22 C21 121.7(6) . . ?
C23 C22 S2 119.2(5) . . ?
C21 C22 S2 119.1(5) . . ?
C22 C23 C24 124.8(6) . . ?
C22 C23 C27 127.9(6) . . ?
C24 C23 C27 107.2(6) . . ?
C23 C24 C25 104.6(7) . . ?
C26 C25 C24 109.6(7) . . ?
C25 C26 C27 109.0(8) . . ?
C26 C27 C23 105.8(6) . . ?
C31 O31 Ag2 115.2(4) . . ?
O32 C31 O31 123.3(6) . . ?
O32 C31 C32 118.1(6) . . ?
O31 C31 C32 118.6(6) . . ?
C33 C32 C31 123.3(6) . . ?
C33 C32 S3 118.8(5) . . ?
C31 C32 S3 117.7(5) . . ?
C32 C33 C34 123.8(7) . . ?
C32 C33 C37 127.4(6) . . ?
C34 C33 C37 108.8(6) . . ?
C33 C34 C35 105.4(7) . . ?
C36 C35 C34 106.4(8) . . ?
C35 C36 C37 107.1(8) . . ?
C33 C37 C36 103.1(7) . . ?
C41 O41 Ag4 114.4(4) . . ?
O42 C41 O41 123.4(6) . . ?
O42 C41 C42 117.5(6) . . ?
O41 C41 C42 119.0(6) . . ?
C43 C42 C41 122.9(6) . . ?
C43 C42 S4 118.7(5) . . ?
C41 C42 S4 118.4(4) . . ?
C42 C43 C47 123.5(6) . . ?
C42 C43 C44 128.7(6) . . ?
C47 C43 C44 107.7(5) . . ?
C43 C44 C45 103.9(5) . . ?
C44 C45 C46 104.3(6) . . ?
C45 C46 C47 102.8(6) . . ?
C43 C47 C46 105.8(5) . . ?
N1 C2A C3A 111.2(7) . . ?
N1 C2A C1A 108.6(7) . . ?
C3A C2A C1A 111.4(8) . . ?
C4A C5A C9A 111.8(6) . . ?
C4A C5A N1 106.7(6) . . ?
C9A C5A N1 111.6(6) . . ?
N2 C2B C3B 110.3(6) . . ?
N2 C2B C1B 106.4(5) . . ?
C3B C2B C1B 112.7(6) . . ?
C6B C5B N2 112.2(6) . . ?
C6B C5B C4B 112.4(8) . . ?
N2 C5B C4B 108.1(7) . . ?
C11 O12B Ag4 110.5(14) . . ?
C21 O22B Ag1 112.2(9) . . ?
N3 C2C C1C 107.8(6) . . ?
N3 C2C C3C 112.0(6) . . ?
C1C C2C C3C 110.9(7) . . ?
N3 C5C C6C 108.1(8) . . ?
N3 C5C C4C 109.9(7) . . ?
C6C C5C C4C 112.3(8) . . ?
N4 C2D C1D 107.2(8) . . ?
N4 C2D C3D 112.1(7) . . ?
C1D C2D C3D 113.6(9) . . ?
N4 C5D C4D 110.3(7) . . ?
N4 C5D C6D 107.4(7) . . ?
C4D C5D C6D 111.8(7) . . ?
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 S2 2.3984(18) . ?
Ag1 S1 2.4126(19) . ?
Ag1 O12 2.728(6) . ?
Ag1 O22B 2.817(16) . ?
Ag1 Ag4 2.9983(9) . ?
Ag1 Ag2 3.3767(9) . ?
S1 C12 1.782(7) . ?
S1 Ag4 2.3937(17) . ?
N1 C2A 1.487(9) . ?
N1 C5A 1.523(9) . ?
Ag2 S2 2.4047(17) . ?
Ag2 S3 2.4361(18) . ?
Ag2 O31 2.599(5) . ?
Ag2 O22 2.726(7) . ?
Ag2 Ag3 2.9257(9) . ?
S2 C22 1.779(7) . ?
N2 C5B 1.499(10) . ?
N2 C2B 1.507(8) . ?
Ag3 S4 2.3799(19) . ?
Ag3 S3 2.3861(19) . ?
Ag3 Ag4 3.2509(9) . ?
S3 C32 1.799(6) . ?
N3 C2C 1.483(10) . ?
N3 C5C 1.499(11) . ?
Ag4 S4 2.4108(17) . ?
Ag4 O41 2.561(5) . ?
Ag4 O12B 3.02(3) . ?
S4 C42 1.792(6) . ?
N4 C2D 1.465(12) . ?
N4 C5D 1.485(9) . ?
O11 C11 1.219(9) . ?
C11 O12B 1.19(3) . ?
C11 O12 1.275(8) . ?
C11 O11B 1.30(3) . ?
C11 C12 1.510(9) . ?
C12 C13 1.334(9) . ?
C13 C14 1.510(10) . ?
C13 C17 1.521(10) . ?
C14 C15 1.521(11) . ?
C15 C16 1.465(13) . ?
C16 C17 1.522(11) . ?
O21 C21 1.242(10) . ?
C21 O21B 1.199(16) . ?
C21 O22 1.275(9) . ?
C21 O22B 1.320(17) . ?
C21 C22 1.515(9) . ?
C22 C23 1.331(9) . ?
C23 C24 1.521(10) . ?
C23 C27 1.527(10) . ?
C24 C25 1.528(12) . ?
C25 C26 1.400(14) . ?
C26 C27 1.497(11) . ?
O31 C31 1.271(8) . ?
C31 O32 1.238(8) . ?
C31 C32 1.517(9) . ?
C32 C33 1.349(9) . ?
C33 C34 1.499(10) . ?
C33 C37 1.513(10) . ?
C34 C35 1.523(12) . ?
C35 C36 1.440(15) . ?
C36 C37 1.531(11) . ?
O41 C41 1.268(8) . ?
C41 O42 1.251(8) . ?
C41 C42 1.512(8) . ?
C42 C43 1.346(9) . ?
C43 C47 1.518(9) . ?
C43 C44 1.522(9) . ?
C44 C45 1.525(10) . ?
C45 C46 1.525(11) . ?
C46 C47 1.532(9) . ?
C1A C2A 1.522(12) . ?
C2A C3A 1.500(13) . ?
C4A C5A 1.514(10) . ?
C5A C9A 1.518(9) . ?
C1B C2B 1.520(10) . ?
C2B C3B 1.518(10) . ?
C4B C5B 1.531(10) . ?
C5B C6B 1.483(11) . ?
C1C C2C 1.525(11) . ?
C2C C3C 1.532(10) . ?
C4C C5C 1.515(13) . ?
C5C C6C 1.515(13) . ?
C1D C2D 1.507(12) . ?
C2D C3D 1.516(14) . ?
C4D C5D 1.504(12) . ?
C5D C6D 1.511(13) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N1 H1A9 O42 0.92 1.79 2.691(7) 163.9 1_655
N1 H1B9 O21 0.92 1.74 2.639(9) 166.0 2_745
N1 H1B9 O21B 0.92 1.95 2.835(17) 160.2 2_745
N2 H2A9 O12 0.92 1.81 2.663(8) 152.6 .
N2 H2A9 O12B 0.92 2.12 2.96(2) 151.3 .
N2 H2B9 O31 0.92 1.84 2.741(7) 165.0 2_745
N3 H3A9 O11B 0.92 1.75 2.60(3) 152.1 .
N3 H3A9 O11 0.92 1.87 2.771(9) 165.2 .
N3 H3B9 O32 0.92 1.82 2.706(7) 161.8 2_745
N4 H4A9 O22B 0.92 1.85 2.630(16) 141.1 .
N4 H4A9 O22 0.92 2.02 2.886(9) 156.7 .
N4 H4B9 O41 0.92 1.85 2.765(8) 170.3 2_655
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
S2 Ag1 S1 C12 -166.9(9) . . . . ?
O12 Ag1 S1 C12 15.5(3) . . . . ?
O22B Ag1 S1 C12 -126.9(4) . . . . ?
Ag4 Ag1 S1 C12 104.0(2) . . . . ?
Ag2 Ag1 S1 C12 158.3(2) . . . . ?
S2 Ag1 S1 Ag4 89.2(9) . . . . ?
O12 Ag1 S1 Ag4 -88.51(15) . . . . ?
O22B Ag1 S1 Ag4 129.1(3) . . . . ?
Ag2 Ag1 S1 Ag4 54.27(7) . . . . ?
S1 Ag1 Ag2 S2 176.80(8) . . . . ?
O12 Ag1 Ag2 S2 -66.2(2) . . . . ?
O22B Ag1 Ag2 S2 86.1(3) . . . . ?
Ag4 Ag1 Ag2 S2 -143.88(6) . . . . ?
S2 Ag1 Ag2 S3 169.61(8) . . . . ?
S1 Ag1 Ag2 S3 -13.59(9) . . . . ?
O12 Ag1 Ag2 S3 103.4(2) . . . . ?
O22B Ag1 Ag2 S3 -104.3(3) . . . . ?
Ag4 Ag1 Ag2 S3 25.73(6) . . . . ?
S2 Ag1 Ag2 O31 22.7(3) . . . . ?
S1 Ag1 Ag2 O31 -160.5(3) . . . . ?
O12 Ag1 Ag2 O31 -43.5(4) . . . . ?
O22B Ag1 Ag2 O31 108.8(4) . . . . ?
Ag4 Ag1 Ag2 O31 -121.2(3) . . . . ?
S2 Ag1 Ag2 O22 -87.06(15) . . . . ?
S1 Ag1 Ag2 O22 89.74(16) . . . . ?
O12 Ag1 Ag2 O22 -153.3(3) . . . . ?
O22B Ag1 Ag2 O22 -1.0(4) . . . . ?
Ag4 Ag1 Ag2 O22 129.06(15) . . . . ?
S2 Ag1 Ag2 Ag3 138.64(6) . . . . ?
S1 Ag1 Ag2 Ag3 -44.56(6) . . . . ?
O12 Ag1 Ag2 Ag3 72.4(2) . . . . ?
O22B Ag1 Ag2 Ag3 -135.3(3) . . . . ?
Ag4 Ag1 Ag2 Ag3 -5.24(2) . . . . ?
S1 Ag1 S2 C22 64.8(9) . . . . ?
O12 Ag1 S2 C22 -117.5(3) . . . . ?
O22B Ag1 S2 C22 24.2(4) . . . . ?
Ag4 Ag1 S2 C22 150.8(2) . . . . ?
Ag2 Ag1 S2 C22 101.9(2) . . . . ?
S1 Ag1 S2 Ag2 -37.1(9) . . . . ?
O12 Ag1 S2 Ag2 140.54(15) . . . . ?
O22B Ag1 S2 Ag2 -77.7(3) . . . . ?
Ag4 Ag1 S2 Ag2 48.88(7) . . . . ?
S3 Ag2 S2 C22 -148.9(3) . . . . ?
O31 Ag2 S2 C22 85.4(2) . . . . ?
O22 Ag2 S2 C22 -27.1(3) . . . . ?
Ag3 Ag2 S2 C22 -150.6(2) . . . . ?
Ag1 Ag2 S2 C22 -103.6(2) . . . . ?
S3 Ag2 S2 Ag1 -45.3(3) . . . . ?
O31 Ag2 S2 Ag1 -170.94(12) . . . . ?
O22 Ag2 S2 Ag1 76.51(16) . . . . ?
Ag3 Ag2 S2 Ag1 -47.00(6) . . . . ?
S2 Ag2 Ag3 S4 -0.05(8) . . . . ?
S3 Ag2 Ag3 S4 -179.61(8) . . . . ?
O31 Ag2 Ag3 S4 128.00(13) . . . . ?
O22 Ag2 Ag3 S4 -88.3(2) . . . . ?
Ag1 Ag2 Ag3 S4 -31.61(6) . . . . ?
S2 Ag2 Ag3 S3 179.57(7) . . . . ?
O31 Ag2 Ag3 S3 -52.39(13) . . . . ?
O22 Ag2 Ag3 S3 91.3(2) . . . . ?
Ag1 Ag2 Ag3 S3 148.01(5) . . . . ?
S2 Ag2 Ag3 Ag4 36.43(5) . . . . ?
S3 Ag2 Ag3 Ag4 -143.14(5) . . . . ?
O31 Ag2 Ag3 Ag4 164.48(12) . . . . ?
O22 Ag2 Ag3 Ag4 -51.79(19) . . . . ?
Ag1 Ag2 Ag3 Ag4 4.87(2) . . . . ?
S4 Ag3 S3 C32 -81.8(5) . . . . ?
Ag2 Ag3 S3 C32 100.3(2) . . . . ?
Ag4 Ag3 S3 C32 159.4(2) . . . . ?
S4 Ag3 S3 Ag2 177.8(5) . . . . ?
Ag4 Ag3 S3 Ag2 59.09(7) . . . . ?
S2 Ag2 S3 C32 -104.8(4) . . . . ?
O31 Ag2 S3 C32 24.4(2) . . . . ?
O22 Ag2 S3 C32 137.1(3) . . . . ?
Ag3 Ag2 S3 C32 -102.9(2) . . . . ?
Ag1 Ag2 S3 C32 -143.4(2) . . . . ?
S2 Ag2 S3 Ag3 -1.9(3) . . . . ?
O31 Ag2 S3 Ag3 127.25(12) . . . . ?
O22 Ag2 S3 Ag3 -120.05(17) . . . . ?
Ag1 Ag2 S3 Ag3 -40.48(6) . . . . ?
C12 S1 Ag4 S4 -102.3(4) . . . . ?
Ag1 S1 Ag4 S4 -0.1(4) . . . . ?
C12 S1 Ag4 O41 88.5(3) . . . . ?
Ag1 S1 Ag4 O41 -169.34(12) . . . . ?
C12 S1 Ag4 Ag1 -102.2(2) . . . . ?
C12 S1 Ag4 O12B -26.2(6) . . . . ?
Ag1 S1 Ag4 O12B 76.0(5) . . . . ?
C12 S1 Ag4 Ag3 -144.3(2) . . . . ?
Ag1 S1 Ag4 Ag3 -42.10(6) . . . . ?
S2 Ag1 Ag4 S1 -174.89(8) . . . . ?
O12 Ag1 Ag4 S1 78.13(13) . . . . ?
O22B Ag1 Ag4 S1 -75.3(4) . . . . ?
Ag2 Ag1 Ag4 S1 -142.35(5) . . . . ?
S2 Ag1 Ag4 S4 5.09(8) . . . . ?
S1 Ag1 Ag4 S4 179.98(7) . . . . ?
O12 Ag1 Ag4 S4 -101.89(13) . . . . ?
O22B Ag1 Ag4 S4 104.7(4) . . . . ?
Ag2 Ag1 Ag4 S4 37.63(6) . . . . ?
S2 Ag1 Ag4 O41 -137.7(4) . . . . ?
S1 Ag1 Ag4 O41 37.1(4) . . . . ?
O12 Ag1 Ag4 O41 115.3(4) . . . . ?
O22B Ag1 Ag4 O41 -38.1(6) . . . . ?
Ag2 Ag1 Ag4 O41 -105.2(4) . . . . ?
S2 Ag1 Ag4 O12B 104.2(5) . . . . ?
S1 Ag1 Ag4 O12B -81.0(5) . . . . ?
O12 Ag1 Ag4 O12B -2.8(5) . . . . ?
O22B Ag1 Ag4 O12B -156.2(6) . . . . ?
Ag2 Ag1 Ag4 O12B 136.7(5) . . . . ?
S2 Ag1 Ag4 Ag3 -27.84(6) . . . . ?
S1 Ag1 Ag4 Ag3 147.05(5) . . . . ?
O12 Ag1 Ag4 Ag3 -134.82(12) . . . . ?
O22B Ag1 Ag4 Ag3 71.8(4) . . . . ?
Ag2 Ag1 Ag4 Ag3 4.704(19) . . . . ?
S4 Ag3 Ag4 S1 171.07(8) . . . . ?
S3 Ag3 Ag4 S1 -17.68(9) . . . . ?
Ag2 Ag3 Ag4 S1 26.46(6) . . . . ?
S3 Ag3 Ag4 S4 171.25(8) . . . . ?
Ag2 Ag3 Ag4 S4 -144.61(6) . . . . ?
S4 Ag3 Ag4 O41 -56.30(13) . . . . ?
S3 Ag3 Ag4 O41 114.95(13) . . . . ?
Ag2 Ag3 Ag4 O41 159.08(12) . . . . ?
S4 Ag3 Ag4 Ag1 139.14(6) . . . . ?
S3 Ag3 Ag4 Ag1 -49.61(7) . . . . ?
Ag2 Ag3 Ag4 Ag1 -5.47(2) . . . . ?
S4 Ag3 Ag4 O12B 83.4(6) . . . . ?
S3 Ag3 Ag4 O12B -105.4(6) . . . . ?
Ag2 Ag3 Ag4 O12B -61.3(6) . . . . ?
S3 Ag3 S4 C42 -22.9(5) . . . . ?
Ag2 Ag3 S4 C42 154.7(2) . . . . ?
Ag4 Ag3 S4 C42 102.0(2) . . . . ?
S3 Ag3 S4 Ag4 -124.9(5) . . . . ?
Ag2 Ag3 S4 Ag4 52.72(7) . . . . ?
S1 Ag4 S4 C42 -146.0(4) . . . . ?
O41 Ag4 S4 C42 23.9(2) . . . . ?
Ag1 Ag4 S4 C42 -146.1(2) . . . . ?
O12B Ag4 S4 C42 141.3(6) . . . . ?
Ag3 Ag4 S4 C42 -98.3(2) . . . . ?
S1 Ag4 S4 Ag3 -47.7(4) . . . . ?
O41 Ag4 S4 Ag3 122.17(12) . . . . ?
Ag1 Ag4 S4 Ag3 -47.81(6) . . . . ?
O12B Ag4 S4 Ag3 -120.4(5) . . . . ?
O12B C11 O12 Ag1 91.8(15) . . . . ?
O11 C11 O12 Ag1 164.3(6) . . . . ?
O11B C11 O12 Ag1 -146.9(14) . . . . ?
C12 C11 O12 Ag1 -19.7(7) . . . . ?
S2 Ag1 O12 C11 -179.9(5) . . . . ?
S1 Ag1 O12 C11 0.0(5) . . . . ?
O22B Ag1 O12 C11 91.4(8) . . . . ?
Ag4 Ag1 O12 C11 -52.6(5) . . . . ?
Ag2 Ag1 O12 C11 -135.9(4) . . . . ?
O12B C11 C12 C13 149.7(16) . . . . ?
O11 C11 C12 C13 36.8(10) . . . . ?
O12 C11 C12 C13 -139.5(7) . . . . ?
O11B C11 C12 C13 -20.3(18) . . . . ?
O12B C11 C12 S1 -32.7(17) . . . . ?
O11 C11 C12 S1 -145.6(6) . . . . ?
O12 C11 C12 S1 38.2(8) . . . . ?
O11B C11 C12 S1 157.4(16) . . . . ?
Ag4 S1 C12 C13 -136.2(6) . . . . ?
Ag1 S1 C12 C13 143.0(6) . . . . ?
Ag4 S1 C12 C11 46.1(5) . . . . ?
Ag1 S1 C12 C11 -34.7(5) . . . . ?
C11 C12 C13 C14 -1.0(12) . . . . ?
S1 C12 C13 C14 -178.6(7) . . . . ?
C11 C12 C13 C17 176.9(7) . . . . ?
S1 C12 C13 C17 -0.8(11) . . . . ?
C12 C13 C14 C15 166.4(10) . . . . ?
C17 C13 C14 C15 -11.7(11) . . . . ?
C13 C14 C15 C16 27.3(13) . . . . ?
C14 C15 C16 C17 -32.6(14) . . . . ?
C12 C13 C17 C16 174.5(8) . . . . ?
C14 C13 C17 C16 -7.4(10) . . . . ?
C15 C16 C17 C13 24.6(12) . . . . ?
O21B C21 O22 Ag2 132.1(9) . . . . ?
O21 C21 O22 Ag2 176.8(7) . . . . ?
O22B C21 O22 Ag2 -106.0(9) . . . . ?
C22 C21 O22 Ag2 1.0(8) . . . . ?
S2 Ag2 O22 C21 19.2(5) . . . . ?
S3 Ag2 O22 C21 -171.7(5) . . . . ?
O31 Ag2 O22 C21 -89.8(6) . . . . ?
Ag3 Ag2 O22 C21 129.8(5) . . . . ?
Ag1 Ag2 O22 C21 67.0(5) . . . . ?
O21B C21 C22 C23 27.7(14) . . . . ?
O21 C21 C22 C23 -28.2(10) . . . . ?
O22 C21 C22 C23 148.0(7) . . . . ?
O22B C21 C22 C23 -137.6(10) . . . . ?
O21B C21 C22 S2 -151.4(11) . . . . ?
O21 C21 C22 S2 152.6(7) . . . . ?
O22 C21 C22 S2 -31.2(8) . . . . ?
O22B C21 C22 S2 43.2(10) . . . . ?
Ag1 S2 C22 C23 133.0(5) . . . . ?
Ag2 S2 C22 C23 -134.8(5) . . . . ?
Ag1 S2 C22 C21 -47.8(5) . . . . ?
Ag2 S2 C22 C21 44.4(5) . . . . ?
C21 C22 C23 C24 -179.7(6) . . . . ?
S2 C22 C23 C24 -0.5(10) . . . . ?
C21 C22 C23 C27 -0.6(11) . . . . ?
S2 C22 C23 C27 178.6(6) . . . . ?
C22 C23 C24 C25 -176.9(9) . . . . ?
C27 C23 C24 C25 3.8(10) . . . . ?
C23 C24 C25 C26 -15.1(14) . . . . ?
C24 C25 C26 C27 20.7(15) . . . . ?
C25 C26 C27 C23 -17.6(13) . . . . ?
C22 C23 C27 C26 -171.5(8) . . . . ?
C24 C23 C27 C26 7.7(9) . . . . ?
S2 Ag2 O31 C31 138.8(4) . . . . ?
S3 Ag2 O31 C31 -31.2(4) . . . . ?
O22 Ag2 O31 C31 -138.5(5) . . . . ?
Ag3 Ag2 O31 C31 9.5(5) . . . . ?
Ag1 Ag2 O31 C31 121.3(4) . . . . ?
Ag2 O31 C31 O32 -158.1(6) . . . . ?
Ag2 O31 C31 C32 24.9(7) . . . . ?
O32 C31 C32 C33 -1.5(10) . . . . ?
O31 C31 C32 C33 175.7(7) . . . . ?
O32 C31 C32 S3 -176.6(5) . . . . ?
O31 C31 C32 S3 0.6(8) . . . . ?
Ag3 S3 C32 C33 81.4(6) . . . . ?
Ag2 S3 C32 C33 159.1(5) . . . . ?
Ag3 S3 C32 C31 -103.3(5) . . . . ?
Ag2 S3 C32 C31 -25.6(5) . . . . ?
C31 C32 C33 C34 -175.8(7) . . . . ?
S3 C32 C33 C34 -0.8(10) . . . . ?
C31 C32 C33 C37 4.2(12) . . . . ?
S3 C32 C33 C37 179.2(6) . . . . ?
C32 C33 C34 C35 177.3(8) . . . . ?
C37 C33 C34 C35 -2.7(10) . . . . ?
C33 C34 C35 C36 20.7(12) . . . . ?
C34 C35 C36 C37 -30.7(14) . . . . ?
C32 C33 C37 C36 165.1(9) . . . . ?
C34 C33 C37 C36 -14.9(10) . . . . ?
C35 C36 C37 C33 28.3(13) . . . . ?
S1 Ag4 O41 C41 148.0(4) . . . . ?
S4 Ag4 O41 C41 -30.1(5) . . . . ?
Ag1 Ag4 O41 C41 116.5(5) . . . . ?
O12B Ag4 O41 C41 -133.0(7) . . . . ?
Ag3 Ag4 O41 C41 8.9(5) . . . . ?
Ag4 O41 C41 O42 -158.5(6) . . . . ?
Ag4 O41 C41 C42 23.6(8) . . . . ?
O42 C41 C42 C43 0.8(10) . . . . ?
O41 C41 C42 C43 178.8(7) . . . . ?
O42 C41 C42 S4 -176.7(5) . . . . ?
O41 C41 C42 S4 1.4(9) . . . . ?
Ag3 S4 C42 C43 69.8(6) . . . . ?
Ag4 S4 C42 C43 157.2(5) . . . . ?
Ag3 S4 C42 C41 -112.6(5) . . . . ?
Ag4 S4 C42 C41 -25.3(5) . . . . ?
C41 C42 C43 C47 -174.9(6) . . . . ?
S4 C42 C43 C47 2.5(9) . . . . ?
C41 C42 C43 C44 8.3(11) . . . . ?
S4 C42 C43 C44 -174.3(6) . . . . ?
C42 C43 C44 C45 160.4(7) . . . . ?
C47 C43 C44 C45 -16.8(8) . . . . ?
C43 C44 C45 C46 34.9(8) . . . . ?
C44 C45 C46 C47 -39.5(8) . . . . ?
C42 C43 C47 C46 175.1(7) . . . . ?
C44 C43 C47 C46 -7.5(8) . . . . ?
C45 C46 C47 C43 28.7(8) . . . . ?
C5A N1 C2A C3A 59.6(8) . . . . ?
C5A N1 C2A C1A -177.4(6) . . . . ?
C2A N1 C5A C4A 172.3(6) . . . . ?
C2A N1 C5A C9A 49.9(8) . . . . ?
C5B N2 C2B C3B -56.0(7) . . . . ?
C5B N2 C2B C1B -178.5(6) . . . . ?
C2B N2 C5B C6B -54.8(8) . . . . ?
C2B N2 C5B C4B -179.3(7) . . . . ?
O11 C11 O12B Ag4 129.8(10) . . . . ?
O12 C11 O12B Ag4 -101.7(14) . . . . ?
O11B C11 O12B Ag4 173.1(16) . . . . ?
C12 C11 O12B Ag4 3.8(19) . . . . ?
S1 Ag4 O12B C11 17.1(14) . . . . ?
S4 Ag4 O12B C11 -172.9(14) . . . . ?
O41 Ag4 O12B C11 -90.2(17) . . . . ?
Ag1 Ag4 O12B C11 73.3(16) . . . . ?
Ag3 Ag4 O12B C11 137.2(13) . . . . ?
O21B C21 O22B Ag1 -179.7(12) . . . . ?
O21 C21 O22B Ag1 -138.1(8) . . . . ?
O22 C21 O22B Ag1 95.1(8) . . . . ?
C22 C21 O22B Ag1 -14.7(11) . . . . ?
S2 Ag1 O22B C21 -9.0(9) . . . . ?
S1 Ag1 O22B C21 173.6(9) . . . . ?
O12 Ag1 O22B C21 92.3(11) . . . . ?
Ag4 Ag1 O22B C21 -135.5(8) . . . . ?
Ag2 Ag1 O22B C21 -57.0(9) . . . . ?
C5C N3 C2C C1C 173.1(6) . . . . ?
C5C N3 C2C C3C 50.8(9) . . . . ?
C2C N3 C5C C6C -177.3(7) . . . . ?
C2C N3 C5C C4C 59.8(9) . . . . ?
C5D N4 C2D C1D -178.7(8) . . . . ?
C5D N4 C2D C3D -53.4(9) . . . . ?
C2D N4 C5D C4D -55.3(9) . . . . ?
C2D N4 C5D C6D -177.4(7) . . . . ?
