#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:40:08 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179591 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/56/4505698.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_4505698
loop_
_publ_author_name
'Patra, Goutam Kumar'
'Goldberg, Israel'
_publ_section_title
;
 Supramolecular Design of Coordination Complexes of Silver(I) with
 Polyimine Ligands:  Synthesis, Materials Characterization, and
 Structure of New Polymeric and Oligomeric Materials
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              321
_journal_paper_doi               10.1021/cg034011q
_journal_volume                  3
_journal_year                    2003
_chemical_formula_moiety         '3(C22 H18 N4), 3(Ag Cl O4), 2(C2 H3 N)'
_chemical_formula_sum            'C70 H60 Ag3 Cl3 N14 O12'
_chemical_formula_weight         1719.28
_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                 119.2571(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.0940(3)
_cell_length_b                   18.0610(2)
_cell_length_c                   17.9020(3)
_cell_measurement_reflns_used    12361
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.89
_cell_measurement_theta_min      1.94
_cell_volume                     6796.50(17)
_computing_cell_refinement       Denzo
_computing_data_collection       'Collect, Nonius B. V.'
_computing_data_reduction        Denzo
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    DIRDIF-96
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean '56 microns'
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '1 deg. Phi 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  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26159
_diffrn_reflns_theta_full        27.89
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.049
_exptl_absorpt_correction_T_max  0.8177
_exptl_absorpt_correction_T_min  0.7438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prisms
_exptl_crystal_F_000             3464
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.632
_refine_diff_density_rms         0.093
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.493(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     906
_refine_ls_number_reflns         14244
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.122
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0411P)²+17.6922P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                12361
_reflns_number_total             14244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg034011qsi20030205_060328.cif
_cod_data_source_block           Complex-7a
_cod_original_cell_volume        6796.50(16)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4505698
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 0.223488(15) 0.19504(2) 1.157007(19) 0.02230(9) Uani 1 1 d .
Ag2 Ag 0.31774(2) 0.381765(18) 1.55606(2) 0.02546(9) Uani 1 1 d .
Ag3 Ag 0.406419(15) 0.19006(2) 0.92955(2) 0.02332(9) Uani 1 1 d .
Cl1 Cl 0.47467(6) 0.32479(6) 0.22612(7) 0.0244(2) Uani 1 1 d .
O1 O 0.5040(2) 0.3958(2) 0.2394(3) 0.0413(10) Uani 1 1 d .
O2 O 0.4327(2) 0.3255(3) 0.2626(3) 0.0472(11) Uani 1 1 d .
O3 O 0.4380(2) 0.3092(2) 0.1365(2) 0.0394(10) Uani 1 1 d .
O4 O 0.5212(2) 0.2684(2) 0.2681(3) 0.0516(12) Uani 1 1 d .
Cl2 Cl 0.44526(6) 0.17281(7) 0.51218(8) 0.0278(3) Uani 1 1 d .
O5 O 0.4420(2) 0.2516(2) 0.5058(3) 0.0510(13) Uani 1 1 d .
O6 O 0.50803(19) 0.1502(3) 0.5292(3) 0.0460(11) Uani 1 1 d .
O7 O 0.3969(2) 0.1404(3) 0.4353(3) 0.0642(15) Uani 1 1 d .
O8 O 0.4369(2) 0.1498(2) 0.5828(3) 0.0396(9) Uani 1 1 d .
Cl3 Cl 0.17779(7) 0.25224(8) 0.59327(10) 0.0331(3) Uani 1 1 d .
O9 O 0.1165(2) 0.2355(3) 0.5809(4) 0.0722(17) Uani 1 1 d .
O10 O 0.1793(3) 0.2265(3) 0.5185(3) 0.0565(12) Uani 1 1 d .
O11 O 0.1876(2) 0.3309(2) 0.6021(4) 0.0684(17) Uani 1 1 d .
O12 O 0.2267(3) 0.2157(3) 0.6654(3) 0.0681(15) Uani 1 1 d .
N1 N 0.23969(19) 0.3266(2) 1.4397(2) 0.0215(9) Uani 1 1 d .
C2 C 0.1835(2) 0.3613(3) 1.3860(3) 0.0170(9) Uani 1 1 d .
C3 C 0.1697(2) 0.4287(3) 1.4125(3) 0.0257(11) Uani 1 1 d .
H3 H 0.1982 0.4480 1.4676 0.031 Uiso 1 1 calc R
C4 C 0.1147(3) 0.4670(3) 1.3589(4) 0.0330(12) Uani 1 1 d .
H4 H 0.1060 0.5127 1.3773 0.040 Uiso 1 1 calc R
C5 C 0.0717(3) 0.4394(3) 1.2776(3) 0.0313(12) Uani 1 1 d .
H5 H 0.0342 0.4664 1.2414 0.038 Uiso 1 1 calc R
C6 C 0.0840(2) 0.3730(3) 1.2501(3) 0.0259(11) Uani 1 1 d .
H6 H 0.0550 0.3548 1.1946 0.031 Uiso 1 1 calc R
C7 C 0.1396(2) 0.3317(3) 1.3041(3) 0.0191(9) Uani 1 1 d .
C8 C 0.1548(2) 0.2633(3) 1.2806(3) 0.0180(9) Uani 1 1 d .
C9 C 0.2106(2) 0.2283(3) 1.3366(3) 0.0213(10) Uani 1 1 d .
H9 H 0.2212 0.1815 1.3227 0.026 Uiso 1 1 calc R
C10 C 0.2517(2) 0.2631(3) 1.4147(3) 0.0212(10) Uani 1 1 d .
H10 H 0.2906 0.2390 1.4520 0.025 Uiso 1 1 calc R
C11 C 0.1096(2) 0.2269(3) 1.1984(3) 0.0206(10) Uani 1 1 d .
H11 H 0.0652 0.2309 1.1785 0.025 Uiso 1 1 calc R
N12 N 0.12826(18) 0.1908(2) 1.1541(2) 0.0190(8) Uani 1 1 d .
C13 C 0.0789(2) 0.1546(3) 1.0760(3) 0.0215(10) Uani 1 1 d .
H13A H 0.0372 0.1594 1.0737 0.026 Uiso 1 1 calc R
H13B H 0.0887 0.1012 1.0777 0.026 Uiso 1 1 calc R
C14 C 0.0752(2) 0.1893(3) 0.9961(3) 0.0211(10) Uani 1 1 d .
H14A H 0.0437 0.1619 0.9450 0.025 Uiso 1 1 calc R
H14B H 0.0603 0.2411 0.9909 0.025 Uiso 1 1 calc R
N15 N 0.13683(18) 0.1885(2) 0.9982(2) 0.0193(8) Uani 1 1 d .
C16 C 0.1391(2) 0.1608(3) 0.9342(3) 0.0205(10) Uani 1 1 d .
H16 H 0.1023 0.1375 0.8900 0.025 Uiso 1 1 calc R
C17 C 0.1981(2) 0.1643(3) 0.9274(3) 0.0186(9) Uani 1 1 d .
C18 C 0.2125(2) 0.1103(3) 0.8812(3) 0.0187(9) Uani 1 1 d .
C19 C 0.1744(2) 0.0481(3) 0.8395(3) 0.0249(10) Uani 1 1 d .
H19 H 0.1347 0.0422 0.8382 0.030 Uiso 1 1 calc R
C20 C 0.1932(3) -0.0035(3) 0.8013(4) 0.0309(12) Uani 1 1 d .
H20 H 0.1666 -0.0447 0.7732 0.037 Uiso 1 1 calc R
C21 C 0.2528(3) 0.0042(3) 0.8035(3) 0.0303(12) Uani 1 1 d .
H21 H 0.2670 -0.0334 0.7798 0.036 Uiso 1 1 calc R
C22 C 0.2894(2) 0.0651(3) 0.8393(3) 0.0250(10) Uani 1 1 d .
H22 H 0.3279 0.0710 0.8375 0.030 Uiso 1 1 calc R
C23 C 0.2708(2) 0.1192(3) 0.8790(3) 0.0189(9) Uani 1 1 d .
N24 N 0.30985(19) 0.1787(2) 0.9162(3) 0.0221(9) Uani 1 1 d .
C25 C 0.2937(2) 0.2278(3) 0.9560(3) 0.0237(10) Uani 1 1 d .
H25 H 0.3207 0.2693 0.9806 0.028 Uiso 1 1 calc R
C26 C 0.2391(2) 0.2228(3) 0.9644(3) 0.0207(10) Uani 1 1 d .
H26 H 0.2303 0.2594 0.9953 0.025 Uiso 1 1 calc R
N27 N 0.29815(18) 0.1286(2) 1.1476(2) 0.0193(8) Uani 1 1 d .
C28 C 0.2852(2) 0.0605(3) 1.1088(3) 0.0174(9) Uani 1 1 d .
C29 C 0.2305(2) 0.0220(3) 1.0962(3) 0.0212(10) Uani 1 1 d .
H29 H 0.2031 0.0438 1.1143 0.025 Uiso 1 1 calc R
C30 C 0.2160(2) -0.0462(3) 1.0583(3) 0.0246(10) Uani 1 1 d .
H30 H 0.1796 -0.0722 1.0518 0.030 Uiso 1 1 calc R
C31 C 0.2556(2) -0.0782(3) 1.0288(3) 0.0278(11) Uani 1 1 d .
H31 H 0.2451 -0.1253 1.0017 0.033 Uiso 1 1 calc R
C32 C 0.3081(3) -0.0422(2) 1.0391(3) 0.0215(10) Uani 1 1 d .
H32 H 0.3338 -0.0644 1.0185 0.026 Uiso 1 1 calc R
C33 C 0.3257(2) 0.0278(3) 1.0797(3) 0.0181(9) Uani 1 1 d .
C34 C 0.3798(2) 0.0691(3) 1.0913(3) 0.0199(10) Uani 1 1 d .
C35 C 0.3909(2) 0.1366(3) 1.1313(3) 0.0229(10) Uani 1 1 d .
H35 H 0.4271 0.1647 1.1406 0.027 Uiso 1 1 calc R
C36 C 0.3497(2) 0.1645(3) 1.1583(3) 0.0234(10) Uani 1 1 d .
H36 H 0.3588 0.2115 1.1856 0.028 Uiso 1 1 calc R
C37 C 0.4230(2) 0.0401(3) 1.0622(3) 0.0226(10) Uani 1 1 d .
H37 H 0.4248 -0.0118 1.0548 0.027 Uiso 1 1 calc R
N38 N 0.4574(2) 0.0825(2) 1.0470(3) 0.0282(9) Uani 1 1 d .
C39 C 0.5001(2) 0.0475(3) 1.0193(3) 0.0263(11) Uani 1 1 d .
H39A H 0.4748 0.0174 0.9674 0.032 Uiso 1 1 calc R
H39B H 0.5307 0.0145 1.0651 0.032 Uiso 1 1 calc R
C40 C 0.5358(2) 0.1071(3) 1.0005(3) 0.0235(10) Uani 1 1 d .
H40A H 0.5585 0.1395 1.0512 0.028 Uiso 1 1 calc R
H40B H 0.5679 0.0838 0.9885 0.028 Uiso 1 1 calc R
N41 N 0.49160(19) 0.1520(2) 0.9262(3) 0.0228(9) Uani 1 1 d .
C42 C 0.5120(2) 0.1756(3) 0.8769(3) 0.0227(10) Uani 1 1 d .
H42 H 0.5547 0.1658 0.8908 0.027 Uiso 1 1 calc R
C43 C 0.4700(2) 0.2181(3) 0.7981(3) 0.0205(10) Uani 1 1 d .
C44 C 0.4922(2) 0.2848(3) 0.7799(3) 0.0193(9) Uani 1 1 d .
C45 C 0.5512(2) 0.3181(3) 0.8362(3) 0.0248(11) Uani 1 1 d .
H45 H 0.5786 0.2948 0.8893 0.030 Uiso 1 1 calc R
C46 C 0.5695(2) 0.3833(3) 0.8158(3) 0.0261(11) Uani 1 1 d .
H46 H 0.6091 0.4051 0.8548 0.031 Uiso 1 1 calc R
C47 C 0.5296(2) 0.4179(3) 0.7368(3) 0.0254(10) Uani 1 1 d .
H47 H 0.5428 0.4627 0.7224 0.030 Uiso 1 1 calc R
C48 C 0.4720(2) 0.3875(3) 0.6808(3) 0.0208(10) Uani 1 1 d .
H48 H 0.4458 0.4107 0.6271 0.025 Uiso 1 1 calc R
C49 C 0.4515(2) 0.3221(3) 0.7025(3) 0.0184(9) Uani 1 1 d .
N50 N 0.3909(2) 0.2963(2) 0.6469(3) 0.0203(9) Uani 1 1 d .
C51 C 0.3718(2) 0.2344(3) 0.6670(3) 0.0225(10) Uani 1 1 d .
H51 H 0.3300 0.2171 0.6297 0.027 Uiso 1 1 calc R
C52 C 0.4108(3) 0.1929(3) 0.7415(3) 0.0256(11) Uani 1 1 d .
H52 H 0.3958 0.1477 0.7520 0.031 Uiso 1 1 calc R
N53 N 0.27710(19) 0.3054(2) 0.2285(2) 0.0177(8) Uani 1 1 d .
C54 C 0.2417(2) 0.3698(3) 0.2022(3) 0.0179(9) Uani 1 1 d .
C55 C 0.1909(2) 0.3741(3) 0.1172(3) 0.0256(11) Uani 1 1 d .
H55 H 0.1812 0.3327 0.0801 0.031 Uiso 1 1 calc R
C56 C 0.1559(2) 0.4369(3) 0.0882(3) 0.0324(12) Uani 1 1 d .
H56 H 0.1226 0.4398 0.0305 0.039 Uiso 1 1 calc R
C57 C 0.1686(3) 0.4977(3) 0.1432(4) 0.0337(13) Uani 1 1 d .
H57 H 0.1437 0.5414 0.1227 0.040 Uiso 1 1 calc R
C58 C 0.2167(2) 0.4940(3) 0.2262(3) 0.0262(11) Uani 1 1 d .
H58 H 0.2240 0.5350 0.2631 0.031 Uiso 1 1 calc R
C59 C 0.2555(2) 0.4315(2) 0.2582(3) 0.0174(9) Uani 1 1 d .
C60 C 0.3079(2) 0.4256(3) 0.3427(3) 0.0177(9) Uani 1 1 d .
C61 C 0.3436(2) 0.3621(3) 0.3659(3) 0.0196(9) Uani 1 1 d .
H61 H 0.3797 0.3577 0.4212 0.024 Uiso 1 1 calc R
C62 C 0.3260(2) 0.3031(3) 0.3063(3) 0.0211(10) Uani 1 1 d .
H62 H 0.3510 0.2593 0.3237 0.025 Uiso 1 1 calc R
C63 C 0.3244(2) 0.4891(3) 0.4030(3) 0.0201(9) Uani 1 1 d .
H63 H 0.3174 0.5381 0.3808 0.024 Uiso 1 1 calc R
N64 N 0.34759(19) 0.4799(2) 0.4830(2) 0.0200(8) Uani 1 1 d .
C65 C 0.3642(2) 0.5487(3) 0.5346(3) 0.0199(10) Uani 1 1 d .
H65A H 0.3565 0.5920 0.4969 0.024 Uiso 1 1 calc R
H65B H 0.4100 0.5479 0.5778 0.024 Uiso 1 1 calc R
C66 C 0.3244(2) 0.5558(2) 0.5794(3) 0.0189(9) Uani 1 1 d .
H66A H 0.3374 0.6007 0.6157 0.023 Uiso 1 1 calc R
H66B H 0.2789 0.5608 0.5361 0.023 Uiso 1 1 calc R
N67 N 0.33339(18) 0.4903(2) 0.6325(2) 0.0175(8) Uani 1 1 d .
C68 C 0.3638(2) 0.4995(3) 0.7136(3) 0.0174(9) Uani 1 1 d .
H68 H 0.3799 0.5471 0.7362 0.021 Uiso 1 1 calc R
C69 C 0.3747(2) 0.4367(2) 0.7734(3) 0.0161(9) Uani 1 1 d .
C70 C 0.4301(2) 0.4339(2) 0.8549(3) 0.0156(9) Uani 1 1 d .
C71 C 0.4808(2) 0.4851(3) 0.8838(3) 0.0207(10) Uani 1 1 d .
H71 H 0.4786 0.5253 0.8483 0.025 Uiso 1 1 calc R
C72 C 0.5331(2) 0.4765(3) 0.9631(3) 0.0237(10) Uani 1 1 d .
H72 H 0.5670 0.5111 0.9817 0.028 Uiso 1 1 calc R
C73 C 0.5380(2) 0.4181(3) 1.0173(3) 0.0255(11) Uani 1 1 d .
H73 H 0.5746 0.4138 1.0722 0.031 Uiso 1 1 calc R
C74 C 0.4900(2) 0.3674(3) 0.9909(3) 0.0223(10) Uani 1 1 d .
H74 H 0.4933 0.3277 1.0277 0.027 Uiso 1 1 calc R
C75 C 0.4354(2) 0.3734(2) 0.9095(3) 0.0176(9) Uani 1 1 d .
N76 N 0.38951(18) 0.3191(2) 0.8855(2) 0.0171(8) Uani 1 1 d .
C77 C 0.3388(2) 0.3245(3) 0.8090(3) 0.0201(10) Uani 1 1 d .
H77 H 0.3070 0.2873 0.7920 0.024 Uiso 1 1 calc R
C78 C 0.3290(2) 0.3825(3) 0.7510(3) 0.0172(9) Uani 1 1 d .
H78 H 0.2912 0.3841 0.6971 0.021 Uiso 1 1 calc R
N79 N 0.4181(4) -0.0016(4) 0.2954(4) 0.068(2) Uani 1 1 d .
C80 C 0.4499(4) 0.0514(4) 0.3162(4) 0.0517(18) Uani 1 1 d .
C81 C 0.4897(4) 0.1180(4) 0.3429(4) 0.0558(19) Uani 1 1 d .
H81A H 0.5142 0.1198 0.4056 0.084 Uiso 1 1 calc R
H81B H 0.4627 0.1620 0.3215 0.084 Uiso 1 1 calc R
H81C H 0.5190 0.1167 0.3195 0.084 Uiso 1 1 calc R
N82 N 0.7099(6) 0.1166(7) 0.3819(8) 0.134(4) Uiso 1 1 d .
C83 C 0.6671(5) 0.1445(6) 0.3243(7) 0.078(3) Uiso 1 1 d .
C84 C 0.6262(7) 0.1800(7) 0.2475(9) 0.123(4) Uiso 1 1 d .
H84A H 0.6474 0.2237 0.2405 0.184 Uiso 1 1 calc R
H84B H 0.5875 0.1955 0.2485 0.184 Uiso 1 1 calc R
H84C H 0.6148 0.1460 0.1996 0.184 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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
N27 Ag1 N12 145.17(14) . .
N27 Ag1 N53 104.17(14) . 1_556
N12 Ag1 N53 108.53(14) . 1_556
N27 Ag1 N15 98.06(13) . .
N12 Ag1 N15 73.04(13) . .
N53 Ag1 N15 124.43(13) 1_556 .
N1 Ag2 N67 138.20(15) . 1_556
N1 Ag2 N50 111.21(16) . 1_556
N67 Ag2 N50 107.58(14) 1_556 1_556
N1 Ag2 N64 98.81(13) . 1_556
N67 Ag2 N64 72.79(13) 1_556 1_556
N50 Ag2 N64 121.65(14) 1_556 1_556
N41 Ag3 N24 155.50(16) . .
N41 Ag3 N76 107.61(14) . .
N24 Ag3 N76 93.04(14) . .
O4 Cl1 O1 110.9(3) . .
O4 Cl1 O3 110.3(3) . .
O1 Cl1 O3 110.4(2) . .
O4 Cl1 O2 108.1(3) . .
O1 Cl1 O2 108.3(3) . .
O3 Cl1 O2 108.8(3) . .
O7 Cl2 O5 110.2(3) . .
O7 Cl2 O8 109.3(3) . .
O5 Cl2 O8 109.5(3) . .
O7 Cl2 O6 111.4(3) . .
O5 Cl2 O6 108.0(3) . .
O8 Cl2 O6 108.4(3) . .
O12 Cl3 O9 112.5(4) . .
O12 Cl3 O11 110.0(3) . .
O9 Cl3 O11 109.4(3) . .
O12 Cl3 O10 108.1(3) . .
O9 Cl3 O10 106.6(3) . .
O11 Cl3 O10 110.2(3) . .
C10 N1 C2 117.8(4) . .
C10 N1 Ag2 118.7(3) . .
C2 N1 Ag2 122.7(3) . .
N1 C2 C3 118.4(4) . .
N1 C2 C7 122.1(4) . .
C3 C2 C7 119.5(4) . .
C4 C3 C2 120.2(5) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 121.0(5) . .
C3 C4 H4 119.5 . .
C5 C4 H4 119.5 . .
C6 C5 C4 119.9(5) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C7 120.5(5) . .
C5 C6 H6 119.8 . .
C7 C6 H6 119.8 . .
C8 C7 C6 123.5(4) . .
C8 C7 C2 117.6(4) . .
C6 C7 C2 118.8(4) . .
C9 C8 C7 119.3(4) . .
C9 C8 C11 119.9(4) . .
C7 C8 C11 120.6(4) . .
C8 C9 C10 118.7(4) . .
C8 C9 H9 120.7 . .
C10 C9 H9 120.7 . .
N1 C10 C9 124.4(4) . .
N1 C10 H10 117.8 . .
C9 C10 H10 117.8 . .
N12 C11 C8 122.2(4) . .
N12 C11 H11 118.9 . .
C8 C11 H11 118.9 . .
C11 N12 C13 117.0(4) . .
C11 N12 Ag1 129.2(3) . .
C13 N12 Ag1 112.0(3) . .
N12 C13 C14 111.0(4) . .
N12 C13 H13A 109.4 . .
C14 C13 H13A 109.4 . .
N12 C13 H13B 109.4 . .
C14 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
N15 C14 C13 112.2(4) . .
N15 C14 H14A 109.2 . .
C13 C14 H14A 109.2 . .
N15 C14 H14B 109.2 . .
C13 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C16 N15 C14 117.9(4) . .
C16 N15 Ag1 129.9(3) . .
C14 N15 Ag1 107.0(3) . .
N15 C16 C17 121.3(4) . .
N15 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
C26 C17 C18 118.9(4) . .
C26 C17 C16 118.9(4) . .
C18 C17 C16 122.1(4) . .
C19 C18 C17 124.8(4) . .
C19 C18 C23 117.9(4) . .
C17 C18 C23 117.3(4) . .
C20 C19 C18 121.4(5) . .
C20 C19 H19 119.3 . .
C18 C19 H19 119.3 . .
C19 C20 C21 119.9(5) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 120.4(5) . .
C22 C21 H21 119.8 . .
C20 C21 H21 119.8 . .
C21 C22 C23 120.5(5) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
N24 C23 C22 118.7(4) . .
N24 C23 C18 121.7(4) . .
C22 C23 C18 119.6(4) . .
C25 N24 C23 118.7(4) . .
C25 N24 Ag3 116.9(3) . .
C23 N24 Ag3 123.9(3) . .
N24 C25 C26 124.1(5) . .
N24 C25 H25 118.0 . .
C26 C25 H25 118.0 . .
C17 C26 C25 119.3(4) . .
C17 C26 H26 120.4 . .
C25 C26 H26 120.4 . .
C36 N27 C28 118.4(4) . .
C36 N27 Ag1 117.1(3) . .
C28 N27 Ag1 121.8(3) . .
N27 C28 C29 119.1(4) . .
N27 C28 C33 121.7(4) . .
C29 C28 C33 119.2(4) . .
C30 C29 C28 121.1(4) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C29 C30 C31 119.8(5) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C32 C31 C30 120.5(5) . .
C32 C31 H31 119.7 . .
C30 C31 H31 119.7 . .
C31 C32 C33 121.6(5) . .
C31 C32 H32 119.2 . .
C33 C32 H32 119.2 . .
C32 C33 C34 124.4(4) . .
C32 C33 C28 117.8(4) . .
C34 C33 C28 117.8(4) . .
C35 C34 C33 118.1(4) . .
C35 C34 C37 120.7(4) . .
C33 C34 C37 121.1(4) . .
C34 C35 C36 120.8(5) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
N27 C36 C35 123.2(4) . .
N27 C36 H36 118.4 . .
C35 C36 H36 118.4 . .
N38 C37 C34 121.2(5) . .
N38 C37 H37 119.4 . .
C34 C37 H37 119.4 . .
C37 N38 C39 117.0(4) . .
N38 C39 C40 109.5(4) . .
N38 C39 H39A 109.8 . .
C40 C39 H39A 109.8 . .
N38 C39 H39B 109.8 . .
C40 C39 H39B 109.8 . .
H39A C39 H39B 108.2 . .
N41 C40 C39 110.6(4) . .
N41 C40 H40A 109.5 . .
C39 C40 H40A 109.5 . .
N41 C40 H40B 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 108.1 . .
C42 N41 C40 117.0(4) . .
C42 N41 Ag3 126.6(3) . .
C40 N41 Ag3 114.9(3) . .
N41 C42 C43 121.0(4) . .
N41 C42 H42 119.5 . .
C43 C42 H42 119.5 . .
C52 C43 C44 119.2(4) . .
C52 C43 C42 120.9(4) . .
C44 C43 C42 119.9(4) . .
C45 C44 C49 118.0(4) . .
C45 C44 C43 123.9(4) . .
C49 C44 C43 118.0(4) . .
C46 C45 C44 121.2(5) . .
C46 C45 H45 119.4 . .
C44 C45 H45 119.4 . .
C45 C46 C47 119.9(5) . .
C45 C46 H46 120.0 . .
C47 C46 H46 120.0 . .
C48 C47 C46 120.6(5) . .
C48 C47 H47 119.7 . .
C46 C47 H47 119.7 . .
C47 C48 C49 120.1(4) . .
C47 C48 H48 120.0 . .
C49 C48 H48 120.0 . .
N50 C49 C48 118.3(4) . .
N50 C49 C44 121.6(4) . .
C48 C49 C44 120.1(4) . .
C51 N50 C49 118.3(4) . .
C51 N50 Ag2 120.5(3) . 1_554
C49 N50 Ag2 117.0(3) . 1_554
N50 C51 C52 123.0(5) . .
N50 C51 H51 118.5 . .
C52 C51 H51 118.5 . .
C43 C52 C51 119.8(5) . .
C43 C52 H52 120.1 . .
C51 C52 H52 120.1 . .
C62 N53 C54 118.3(4) . .
C62 N53 Ag1 120.8(3) . 1_554
C54 N53 Ag1 116.0(3) . 1_554
N53 C54 C55 118.6(4) . .
N53 C54 C59 121.6(4) . .
C55 C54 C59 119.7(4) . .
C56 C55 C54 120.4(5) . .
C56 C55 H55 119.8 . .
C54 C55 H55 119.8 . .
C55 C56 C57 120.3(5) . .
C55 C56 H56 119.9 . .
C57 C56 H56 119.9 . .
C58 C57 C56 120.1(5) . .
C58 C57 H57 119.9 . .
C56 C57 H57 119.9 . .
C57 C58 C59 121.7(5) . .
C57 C58 H58 119.1 . .
C59 C58 H58 119.1 . .
C58 C59 C60 124.2(4) . .
C58 C59 C54 117.7(4) . .
C60 C59 C54 118.1(4) . .
C61 C60 C59 118.9(4) . .
C61 C60 C63 121.3(4) . .
C59 C60 C63 119.8(4) . .
C60 C61 C62 119.3(4) . .
C60 C61 H61 120.4 . .
C62 C61 H61 120.4 . .
N53 C62 C61 123.8(4) . .
N53 C62 H62 118.1 . .
C61 C62 H62 118.1 . .
N64 C63 C60 122.1(4) . .
N64 C63 H63 118.9 . .
C60 C63 H63 118.9 . .
C63 N64 C65 115.4(4) . .
C63 N64 Ag2 127.0(3) . 1_554
C65 N64 Ag2 109.1(3) . 1_554
N64 C65 C66 110.5(4) . .
N64 C65 H65A 109.6 . .
C66 C65 H65A 109.6 . .
N64 C65 H65B 109.6 . .
C66 C65 H65B 109.6 . .
H65A C65 H65B 108.1 . .
N67 C66 C65 110.0(4) . .
N67 C66 H66A 109.7 . .
C65 C66 H66A 109.7 . .
N67 C66 H66B 109.7 . .
C65 C66 H66B 109.7 . .
H66A C66 H66B 108.2 . .
C68 N67 C66 116.9(4) . .
C68 N67 Ag2 128.3(3) . 1_554
C66 N67 Ag2 111.7(3) . 1_554
N67 C68 C69 121.3(4) . .
N67 C68 H68 119.4 . .
C69 C68 H68 119.4 . .
C78 C69 C70 119.3(4) . .
C78 C69 C68 119.8(4) . .
C70 C69 C68 120.8(4) . .
C71 C70 C69 124.4(4) . .
C71 C70 C75 118.5(4) . .
C69 C70 C75 117.1(4) . .
C72 C71 C70 119.9(5) . .
C72 C71 H71 120.1 . .
C70 C71 H71 120.1 . .
C71 C72 C73 121.8(5) . .
C71 C72 H72 119.1 . .
C73 C72 H72 119.1 . .
C74 C73 C72 119.7(4) . .
C74 C73 H73 120.1 . .
C72 C73 H73 120.1 . .
C73 C74 C75 120.6(4) . .
C73 C74 H74 119.7 . .
C75 C74 H74 119.7 . .
N76 C75 C74 117.8(4) . .
N76 C75 C70 122.7(4) . .
C74 C75 C70 119.5(4) . .
C77 N76 C75 117.7(4) . .
C77 N76 Ag3 109.3(3) . .
C75 N76 Ag3 126.8(3) . .
N76 C77 C78 123.7(4) . .
N76 C77 H77 118.1 . .
C78 C77 H77 118.1 . .
C69 C78 C77 119.4(4) . .
C69 C78 H78 120.3 . .
C77 C78 H78 120.3 . .
N79 C80 C81 179.6(8) . .
C80 C81 H81A 109.5 . .
C80 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C80 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
N82 C83 C84 165.9(13) . .
C83 C84 H84A 109.3 . .
C83 C84 H84B 109.6 . .
H84A C84 H84B 109.5 . .
C83 C84 H84C 109.6 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N27 2.236(4) .
Ag1 N12 2.271(4) .
Ag1 N53 2.380(4) 1_556
Ag1 N15 2.579(4) .
Ag2 N1 2.245(4) .
Ag2 N67 2.313(4) 1_556
Ag2 N50 2.310(4) 1_556
Ag2 N64 2.508(4) 1_556
Ag3 N41 2.193(4) .
Ag3 N24 2.230(4) .
Ag3 N76 2.431(4) .
Cl1 O4 1.426(4) .
Cl1 O1 1.426(4) .
Cl1 O3 1.431(4) .
Cl1 O2 1.448(4) .
Cl2 O7 1.423(5) .
Cl2 O5 1.427(4) .
Cl2 O8 1.437(4) .
Cl2 O6 1.448(4) .
Cl3 O12 1.416(5) .
Cl3 O9 1.415(5) .
Cl3 O11 1.436(4) .
Cl3 O10 1.433(5) .
N1 C10 1.313(7) .
N1 C2 1.370(6) .
C2 C3 1.405(7) .
C2 C7 1.428(6) .
C3 C4 1.382(8) .
C3 H3 0.9500 .
C4 C5 1.402(8) .
C4 H4 0.9500 .
C5 C6 1.383(8) .
C5 H5 0.9500 .
C6 C7 1.421(7) .
C6 H6 0.9500 .
C7 C8 1.411(7) .
C8 C9 1.377(7) .
C8 C11 1.490(6) .
C9 C10 1.406(7) .
C9 H9 0.9500 .
C10 H10 0.9500 .
C11 N12 1.267(6) .
C11 H11 0.9500 .
N12 C13 1.473(6) .
C13 C14 1.525(7) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 N15 1.465(6) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
N15 C16 1.275(6) .
C16 C17 1.487(7) .
C16 H16 0.9500 .
C17 C26 1.374(7) .
C17 C18 1.427(6) .
C18 C19 1.412(7) .
C18 C23 1.433(6) .
C19 C20 1.358(7) .
C19 H19 0.9500 .
C20 C21 1.424(8) .
C20 H20 0.9500 .
C21 C22 1.357(7) .
C21 H21 0.9500 .
C22 C23 1.406(7) .
C22 H22 0.9500 .
C23 N24 1.367(6) .
N24 C25 1.309(6) .
C25 C26 1.399(7) .
C25 H25 0.9500 .
C26 H26 0.9500 .
N27 C36 1.329(6) .
N27 C28 1.372(6) .
C28 C29 1.408(7) .
C28 C33 1.438(6) .
C29 C30 1.367(7) .
C29 H29 0.9500 .
C30 C31 1.419(7) .
C30 H30 0.9500 .
C31 C32 1.354(8) .
C31 H31 0.9500 .
C32 C33 1.416(7) .
C32 H32 0.9500 .
C33 C34 1.426(7) .
C34 C35 1.373(7) .
C34 C37 1.467(6) .
C35 C36 1.395(7) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C37 N38 1.253(6) .
C37 H37 0.9500 .
N38 C39 1.483(6) .
C39 C40 1.515(7) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 N41 1.475(6) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
N41 C42 1.276(6) .
C42 C43 1.486(7) .
C42 H42 0.9500 .
C43 C52 1.362(7) .
C43 C44 1.419(7) .
C44 C45 1.413(7) .
C44 C49 1.418(6) .
C45 C46 1.369(7) .
C45 H45 0.9500 .
C46 C47 1.409(7) .
C46 H46 0.9500 .
C47 C48 1.369(7) .
C47 H47 0.9500 .
C48 C49 1.406(7) .
C48 H48 0.9500 .
C49 N50 1.385(6) .
N50 C51 1.324(6) .
N50 Ag2 2.310(4) 1_554
C51 C52 1.413(7) .
C51 H51 0.9500 .
C52 H52 0.9500 .
N53 C62 1.314(6) .
N53 C54 1.381(6) .
N53 Ag1 2.380(4) 1_554
C54 C55 1.414(6) .
C54 C59 1.426(6) .
C55 C56 1.357(7) .
C55 H55 0.9500 .
C56 C57 1.405(8) .
C56 H56 0.9500 .
C57 C58 1.369(7) .
C57 H57 0.9500 .
C58 C59 1.398(6) .
C58 H58 0.9500 .
C59 C60 1.424(6) .
C60 C61 1.371(7) .
C60 C63 1.489(6) .
C61 C62 1.418(7) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 N64 1.269(6) .
C63 H63 0.9500 .
N64 C65 1.481(6) .
N64 Ag2 2.508(4) 1_554
C65 C66 1.527(6) .
C65 H65A 0.9900 .
C65 H65B 0.9900 .
C66 N67 1.467(6) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
N67 C68 1.278(6) .
N67 Ag2 2.313(4) 1_554
C68 C69 1.491(6) .
C68 H68 0.9500 .
C69 C78 1.379(6) .
C69 C70 1.417(6) .
C70 C71 1.413(6) .
C70 C75 1.430(6) .
C71 C72 1.371(7) .
C71 H71 0.9500 .
C72 C73 1.397(7) .
C72 H72 0.9500 .
C73 C74 1.367(7) .
C73 H73 0.9500 .
C74 C75 1.412(6) .
C74 H74 0.9500 .
C75 N76 1.379(6) .
N76 C77 1.320(6) .
C77 C78 1.410(7) .
C77 H77 0.9500 .
C78 H78 0.9500 .
N79 C80 1.168(10) .
C80 C81 1.465(11) .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
N82 C83 1.158(13) .
C83 C84 1.397(15) .
C84 H84A 0.9801 .
C84 H84B 0.9801 .
C84 H84C 0.9801 .
