#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:25:55 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179480 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/77/4337799.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_4337799
loop_
_publ_author_name
'Xi, Xiaobing'
'Liu, Yan'
'Cui, Yong'
_publ_section_title
;
 Homochiral silver-based coordination polymers exhibiting
 temperature-dependent photoluminescence behavior.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2352
_journal_page_last               2354
_journal_paper_doi               10.1021/ic4027865
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C106 H112 Ag2 Cl2 N9 O23'
_chemical_formula_weight         2166.69
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 102.8280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   51.6398(14)
_cell_length_b                   13.6915(4)
_cell_length_c                   17.5930(5)
_cell_measurement_temperature    123(2)
_cell_volume                     12128.3(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0336
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28808
_diffrn_reflns_theta_full        50.00
_diffrn_reflns_theta_max         50.00
_diffrn_reflns_theta_min         3.42
_exptl_absorpt_coefficient_mu    3.530
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4492
_refine_diff_density_max         1.654
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.113
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.029(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1106
_refine_ls_number_reflns         9509
_refine_ls_number_restraints     71
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1579P)²+26.2192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1996
_refine_ls_wR_factor_ref         0.2040
_reflns_number_gt                8930
_reflns_number_total             9509
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4027865_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2
_cod_database_code               4337799
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
Ag2 Ag 0.0000 0.04026(9) 0.5000 0.0733(5) Uani 1 2 d SD
Ag4 Ag 0.5000 0.24900(9) 0.0000 0.0617(4) Uani 1 2 d SD
N1 N 0.03733(11) 0.2948(5) 0.4661(4) 0.074(2) Uani 1 1 d GU
C1 C 0.03696(10) 0.2929(6) 0.3869(4) 0.077(3) Uani 1 1 d GU
H1 H 0.0222 0.2686 0.3518 0.092 Uiso 1 1 calc R
C2 C 0.05866(12) 0.3274(6) 0.3602(3) 0.064(3) Uani 1 1 d G
H2 H 0.0584 0.3261 0.3072 0.077 Uiso 1 1 calc R
C3 C 0.08073(11) 0.3637(5) 0.4127(3) 0.047(2) Uani 1 1 d GU
C4 C 0.08110(11) 0.3655(5) 0.4920(3) 0.058(3) Uani 1 1 d GU
H4 H 0.0959 0.3898 0.5271 0.070 Uiso 1 1 calc R
C5 C 0.05940(13) 0.3311(6) 0.5187(3) 0.072(2) Uani 1 1 d GU
H5 H 0.0596 0.3323 0.5717 0.087 Uiso 1 1 calc R
C12 C 0.13214(19) 0.3800(8) 0.2000(5) 0.043(3) Uani 1 1 d .
C6 C 0.10352(10) 0.4068(4) 0.3824(3) 0.033(2) Uani 1 1 d GU
C7 C 0.11884(11) 0.4822(4) 0.4220(2) 0.037(2) Uani 1 1 d G
H7 H 0.1157 0.5047 0.4690 0.044 Uiso 1 1 calc R
C8 C 0.13886(10) 0.5239(4) 0.3914(3) 0.032(2) Uani 1 1 d G
C9 C 0.14355(10) 0.4902(4) 0.3211(3) 0.032(2) Uani 1 1 d G
C10 C 0.12824(11) 0.4148(4) 0.2815(2) 0.033(2) Uani 1 1 d G
C11 C 0.10822(10) 0.3731(4) 0.3122(3) 0.037(2) Uani 1 1 d GU
H11 H 0.0980 0.3226 0.2857 0.044 Uiso 1 1 calc R
C13 C 0.1263(3) 0.4693(10) 0.1446(5) 0.068(3) Uani 1 1 d .
H13A H 0.1289 0.4514 0.0940 0.102 Uiso 1 1 calc R
H13B H 0.1381 0.5217 0.1652 0.102 Uiso 1 1 calc R
H13C H 0.1083 0.4900 0.1403 0.102 Uiso 1 1 calc R
C14 C 0.1134(2) 0.2978(9) 0.1674(5) 0.054(3) Uani 1 1 d .
H14A H 0.1166 0.2778 0.1180 0.080 Uiso 1 1 calc R
H14B H 0.0954 0.3199 0.1607 0.080 Uiso 1 1 calc R
H14C H 0.1164 0.2436 0.2029 0.080 Uiso 1 1 calc R
C15 C 0.1607(2) 0.3436(8) 0.2060(6) 0.054(3) Uani 1 1 d .
H15A H 0.1627 0.3230 0.1555 0.080 Uiso 1 1 calc R
H15B H 0.1642 0.2895 0.2416 0.080 Uiso 1 1 calc R
H15C H 0.1729 0.3955 0.2246 0.080 Uiso 1 1 calc R
C16 C 0.15243(17) 0.6087(7) 0.4309(5) 0.032(2) Uani 1 1 d .
H16 H 0.1475 0.6322 0.4752 0.039 Uiso 1 1 calc R
C17 C 0.18246(9) 0.7411(3) 0.4413(3) 0.031(2) Uani 1 1 d G
C18 C 0.20936(9) 0.7605(3) 0.4496(3) 0.026(2) Uani 1 1 d G
C19 C 0.22011(7) 0.8467(4) 0.4847(3) 0.031(2) Uani 1 1 d G
C20 C 0.20396(10) 0.9135(3) 0.5116(3) 0.035(2) Uani 1 1 d G
C21 C 0.17706(10) 0.8941(4) 0.5034(3) 0.037(2) Uani 1 1 d G
C22 C 0.16631(7) 0.8079(4) 0.4682(3) 0.038(2) Uani 1 1 d G
H22 H 0.1483 0.7949 0.4627 0.046 Uiso 1 1 calc R
C23 C 0.1586(2) 0.9649(8) 0.5321(6) 0.055(3) Uani 1 1 d .
H23A H 0.1612 0.9594 0.5877 0.082 Uiso 1 1 calc R
H23B H 0.1405 0.9495 0.5081 0.082 Uiso 1 1 calc R
H23C H 0.1625 1.0304 0.5188 0.082 Uiso 1 1 calc R
C24 C 0.21544(18) 1.0065(7) 0.5551(5) 0.043(2) Uani 1 1 d .
H24A H 0.2343 0.9992 0.5737 0.064 Uiso 1 1 calc R
H24B H 0.2073 1.0172 0.5984 0.064 Uiso 1 1 calc R
H24C H 0.2119 1.0613 0.5203 0.064 Uiso 1 1 calc R
C25 C 0.22228(17) 0.6881(7) 0.3413(5) 0.036(2) Uani 1 1 d D
H25A H 0.2035 0.6918 0.3171 0.044 Uiso 1 1 calc R
H25B H 0.2289 0.6259 0.3272 0.044 Uiso 1 1 calc R
C26 C 0.26379(18) 0.7510(8) 0.3258(5) 0.042(2) Uani 1 1 d .
H26A H 0.2720 0.8051 0.3056 0.063 Uiso 1 1 calc R
H26B H 0.2672 0.6920 0.3003 0.063 Uiso 1 1 calc R
H26C H 0.2710 0.7453 0.3808 0.063 Uiso 1 1 calc R
C27 C 0.24942(7) 0.8649(4) 0.4920(3) 0.030(2) Uani 1 1 d G
C28 C 0.26768(9) 0.8075(3) 0.5428(3) 0.0248(19) Uani 1 1 d G
C29 C 0.29473(8) 0.8210(4) 0.5488(3) 0.027(2) Uani 1 1 d G
C30 C 0.30353(7) 0.8919(4) 0.5038(3) 0.033(2) Uani 1 1 d G
H30 H 0.3216 0.9010 0.5078 0.040 Uiso 1 1 calc R
C31 C 0.28527(9) 0.9493(4) 0.4530(3) 0.035(2) Uani 1 1 d G
C32 C 0.25821(8) 0.9358(3) 0.4470(3) 0.027(2) Uani 1 1 d G
C33 C 0.23854(17) 0.9969(7) 0.3889(5) 0.033(2) Uani 1 1 d .
H33A H 0.2208 0.9797 0.3917 0.050 Uiso 1 1 calc R
H33B H 0.2410 0.9848 0.3372 0.050 Uiso 1 1 calc R
H33C H 0.2415 1.0649 0.4011 0.050 Uiso 1 1 calc R
C34 C 0.29545(19) 1.0283(8) 0.4072(5) 0.052(3) Uani 1 1 d .
H34A H 0.3145 1.0264 0.4184 0.078 Uiso 1 1 calc R
H34B H 0.2897 1.0909 0.4217 0.078 Uiso 1 1 calc R
H34C H 0.2886 1.0178 0.3525 0.078 Uiso 1 1 calc R
C35 C 0.26355(18) 0.7589(7) 0.6684(4) 0.035(2) Uani 1 1 d .
H35A H 0.2638 0.6983 0.6972 0.042 Uiso 1 1 calc R
H35B H 0.2809 0.7889 0.6843 0.042 Uiso 1 1 calc R
C36 C 0.21939(17) 0.7778(8) 0.6797(5) 0.046(3) Uani 1 1 d .
H36A H 0.2074 0.8243 0.6940 0.070 Uiso 1 1 calc R
H36B H 0.2207 0.7217 0.7131 0.070 Uiso 1 1 calc R
H36C H 0.2128 0.7580 0.6266 0.070 Uiso 1 1 calc R
C37 C 0.3348(2) 0.7333(7) 0.5805(5) 0.042(2) Uani 1 1 d .
H37 H 0.3404 0.7704 0.5429 0.051 Uiso 1 1 calc R
C38 C 0.35282(9) 0.6587(4) 0.6221(3) 0.028(2) Uani 1 1 d G
C39 C 0.34632(8) 0.5989(4) 0.6789(3) 0.037(2) Uani 1 1 d G
C40 C 0.36417(10) 0.5284(4) 0.7154(3) 0.042(2) Uani 1 1 d G
C41 C 0.38853(10) 0.5176(4) 0.6950(3) 0.043(2) Uani 1 1 d G
H41 H 0.4005 0.4704 0.7194 0.051 Uiso 1 1 calc R
C42 C 0.39504(8) 0.5775(5) 0.6382(3) 0.043(2) Uani 1 1 d G
C43 C 0.37718(10) 0.6480(4) 0.6017(3) 0.037(2) Uani 1 1 d G
H43 H 0.3815 0.6880 0.5637 0.045 Uiso 1 1 calc R
C44 C 0.35638(19) 0.4585(8) 0.7767(5) 0.049(3) Uani 1 1 d .
C45 C 0.33209(18) 0.4001(8) 0.7414(5) 0.045(3) Uani 1 1 d .
H45A H 0.3356 0.3607 0.6997 0.067 Uiso 1 1 calc R
H45B H 0.3176 0.4436 0.7214 0.067 Uiso 1 1 calc R
H45C H 0.3275 0.3588 0.7805 0.067 Uiso 1 1 calc R
C46 C 0.3513(2) 0.5180(10) 0.8448(6) 0.070(4) Uani 1 1 d .
H46A H 0.3463 0.4751 0.8824 0.104 Uiso 1 1 calc R
H46B H 0.3371 0.5636 0.8264 0.104 Uiso 1 1 calc R
H46C H 0.3671 0.5530 0.8688 0.104 Uiso 1 1 calc R
C48 C 0.42038(8) 0.5637(5) 0.6080(3) 0.044(2) Uani 1 1 d G
C49 C 0.44443(10) 0.5420(6) 0.6586(3) 0.059(3) Uani 1 1 d G
H49 H 0.4452 0.5337 0.7115 0.071 Uiso 1 1 calc R
C50 C 0.46735(8) 0.5326(6) 0.6301(3) 0.077(4) Uani 1 1 d G
H50 H 0.4834 0.5180 0.6639 0.093 Uiso 1 1 calc R
N4 N 0.46621(8) 0.5449(5) 0.5510(3) 0.067(3) Uani 1 1 d G
C51 C 0.44216(10) 0.5667(6) 0.5004(3) 0.062(3) Uani 1 1 d G
H51 H 0.4414 0.5749 0.4475 0.075 Uiso 1 1 calc R
C52 C 0.41924(9) 0.5761(6) 0.5289(3) 0.058(3) Uani 1 1 d G
H52 H 0.4032 0.5906 0.4951 0.069 Uiso 1 1 calc R
C47 C 0.3791(2) 0.3869(10) 0.8111(7) 0.071(4) Uani 1 1 d .
H47A H 0.3831 0.3474 0.7701 0.107 Uiso 1 1 calc R
H47B H 0.3737 0.3457 0.8489 0.107 Uiso 1 1 calc R
H47C H 0.3946 0.4232 0.8356 0.107 Uiso 1 1 calc R
N5 N 0.46210(11) 0.5088(5) 0.0314(4) 0.064(3) Uani 1 1 d G
C53 C 0.44194(13) 0.5541(5) -0.0226(3) 0.060(3) Uani 1 1 d G
H53 H 0.4428 0.5572 -0.0747 0.072 Uiso 1 1 calc R
C54 C 0.42043(11) 0.5949(5) 0.0014(3) 0.049(3) Uani 1 1 d G
H54 H 0.4069 0.6253 -0.0347 0.058 Uiso 1 1 calc R
C55 C 0.41908(10) 0.5904(5) 0.0793(3) 0.036(2) Uani 1 1 d G
C56 C 0.43924(12) 0.5451(5) 0.1333(3) 0.049(3) Uani 1 1 d G
H56 H 0.4383 0.5420 0.1855 0.058 Uiso 1 1 calc R
C57 C 0.46075(10) 0.5043(5) 0.1094(4) 0.061(3) Uani 1 1 d G
H57 H 0.4742 0.4739 0.1455 0.073 Uiso 1 1 calc R
C58 C 0.39623(18) 0.6402(7) 0.1069(5) 0.039(2) Uani 1 1 d .
C59 C 0.38313(16) 0.7208(6) 0.0678(4) 0.033(2) Uani 1 1 d .
H59 H 0.3875 0.7422 0.0221 0.039 Uiso 1 1 calc R
C60 C 0.36377(16) 0.7693(6) 0.0960(4) 0.031(2) Uani 1 1 d .
C61 C 0.35729(16) 0.7368(7) 0.1676(5) 0.034(2) Uani 1 1 d .
C62 C 0.37060(15) 0.6563(7) 0.2064(5) 0.030(2) Uani 1 1 d .
C63 C 0.38943(17) 0.6107(7) 0.1750(4) 0.034(2) Uani 1 1 d .
H63 H 0.3981 0.5568 0.2010 0.040 Uiso 1 1 calc R
C64 C 0.36435(18) 0.6242(6) 0.2859(4) 0.031(2) Uani 1 1 d .
C65 C 0.3717(2) 0.7096(8) 0.3456(5) 0.046(3) Uani 1 1 d .
H65A H 0.3680 0.6905 0.3946 0.069 Uiso 1 1 calc R
H65B H 0.3614 0.7662 0.3263 0.069 Uiso 1 1 calc R
H65C H 0.3903 0.7245 0.3526 0.069 Uiso 1 1 calc R
C66 C 0.38023(19) 0.5347(7) 0.3171(5) 0.043(3) Uani 1 1 d .
H66A H 0.3756 0.4820 0.2806 0.065 Uiso 1 1 calc R
H66B H 0.3763 0.5163 0.3661 0.065 Uiso 1 1 calc R
H66C H 0.3988 0.5487 0.3245 0.065 Uiso 1 1 calc R
C67 C 0.33448(18) 0.6005(9) 0.2735(5) 0.050(3) Uani 1 1 d .
H67A H 0.3301 0.5482 0.2365 0.075 Uiso 1 1 calc R
H67B H 0.3242 0.6573 0.2540 0.075 Uiso 1 1 calc R
H67C H 0.3306 0.5812 0.3222 0.075 Uiso 1 1 calc R
C68 C 0.35008(17) 0.8520(7) 0.0554(4) 0.033(2) Uani 1 1 d .
H68 H 0.3542 0.8709 0.0087 0.039 Uiso 1 1 calc R
C69 C 0.32090(9) 0.9870(3) 0.0403(3) 0.0246(19) Uani 1 1 d G
C70 C 0.29406(9) 1.0044(3) 0.0354(3) 0.028(2) Uani 1 1 d G
C71 C 0.28212(7) 1.0874(4) -0.0024(3) 0.028(2) Uani 1 1 d G
C72 C 0.29702(10) 1.1530(3) -0.0354(3) 0.030(2) Uani 1 1 d G
C73 C 0.32386(9) 1.1356(3) -0.0304(3) 0.027(2) Uani 1 1 d G
C74 C 0.33580(7) 1.0526(4) 0.0074(3) 0.036(2) Uani 1 1 d G
H74 H 0.3538 1.0409 0.0107 0.043 Uiso 1 1 calc R
C75 C 0.34080(19) 1.2064(7) -0.0665(5) 0.044(2) Uani 1 1 d .
H75A H 0.3587 1.1825 -0.0575 0.066 Uiso 1 1 calc R
H75B H 0.3407 1.2696 -0.0430 0.066 Uiso 1 1 calc R
H75C H 0.3336 1.2114 -0.1216 0.066 Uiso 1 1 calc R
C76 C 0.28394(18) 1.2428(7) -0.0785(5) 0.038(2) Uani 1 1 d .
H76A H 0.2655 1.2442 -0.0767 0.057 Uiso 1 1 calc R
H76B H 0.2855 1.2403 -0.1318 0.057 Uiso 1 1 calc R
H76C H 0.2926 1.3006 -0.0542 0.057 Uiso 1 1 calc R
C77 C 0.28272(18) 0.9343(7) 0.1499(4) 0.035(2) Uani 1 1 d .
H77A H 0.2780 0.8701 0.1658 0.041 Uiso 1 1 calc R
H77B H 0.3014 0.9448 0.1729 0.041 Uiso 1 1 calc R
C78 C 0.24055(19) 0.9823(8) 0.1621(5) 0.045(2) Uani 1 1 d .
H78A H 0.2313 1.0333 0.1824 0.067 Uiso 1 1 calc R
H78B H 0.2378 0.9214 0.1862 0.067 Uiso 1 1 calc R
H78C H 0.2339 0.9774 0.1067 0.067 Uiso 1 1 calc R
C79 C 0.25310(7) 1.1034(4) -0.0061(3) 0.0243(19) Uani 1 1 d G
C80 C 0.23460(9) 1.0418(3) -0.0519(3) 0.0241(19) Uani 1 1 d G
C81 C 0.20774(8) 1.0525(4) -0.0532(3) 0.029(2) Uani 1 1 d G
C82 C 0.19938(7) 1.1249(4) -0.0087(3) 0.032(2) Uani 1 1 d G
H82 H 0.1814 1.1321 -0.0096 0.038 Uiso 1 1 calc R
C83 C 0.21788(10) 1.1866(4) 0.0371(3) 0.033(2) Uani 1 1 d G
C84 C 0.24474(9) 1.1758(3) 0.0384(3) 0.030(2) Uani 1 1 d G
C85 C 0.26529(18) 1.2371(7) 0.0951(5) 0.042(2) Uani 1 1 d .
H85A H 0.2828 1.2207 0.0892 0.062 Uiso 1 1 calc R
H85B H 0.2639 1.2238 0.1477 0.062 Uiso 1 1 calc R
H85C H 0.2620 1.3052 0.0840 0.062 Uiso 1 1 calc R
C86 C 0.2086(2) 1.2681(8) 0.0820(5) 0.051(3) Uani 1 1 d .
H86A H 0.1897 1.2654 0.0746 0.077 Uiso 1 1 calc R
H86B H 0.2137 1.3297 0.0636 0.077 Uiso 1 1 calc R
H86C H 0.2167 1.2612 0.1364 0.077 Uiso 1 1 calc R
C87 C 0.23818(17) 0.9942(6) -0.1793(4) 0.029(2) Uani 1 1 d D
H87A H 0.2382 0.9339 -0.2082 0.035 Uiso 1 1 calc R
H87B H 0.2209 1.0245 -0.1962 0.035 Uiso 1 1 calc R
C88 C 0.28243(16) 1.0083(7) -0.1932(4) 0.030(2) Uani 1 1 d .
H88A H 0.2954 1.0539 -0.2033 0.045 Uiso 1 1 calc R
H88B H 0.2798 0.9577 -0.2320 0.045 Uiso 1 1 calc R
H88C H 0.2886 0.9799 -0.1425 0.045 Uiso 1 1 calc R
C89 C 0.16776(19) 0.9603(7) -0.0745(5) 0.034(2) Uani 1 1 d .
H89 H 0.1634 0.9961 -0.0343 0.040 Uiso 1 1 calc R
C90 C 0.14948(9) 0.8865(4) -0.1133(3) 0.030(2) Uani 1 1 d G
C91 C 0.15502(8) 0.8284(4) -0.1725(3) 0.034(2) Uani 1 1 d G
C92 C 0.13716(10) 0.7564(4) -0.2064(3) 0.033(2) Uani 1 1 d G
C93 C 0.11375(9) 0.7427(4) -0.1811(3) 0.033(2) Uani 1 1 d G
H93 H 0.1018 0.6946 -0.2038 0.040 Uiso 1 1 calc R
C94 C 0.10821(8) 0.8008(4) -0.1219(3) 0.039(2) Uani 1 1 d G
C95 C 0.12607(10) 0.8728(4) -0.0880(3) 0.033(2) Uani 1 1 d G
H95 H 0.1224 0.9117 -0.0484 0.040 Uiso 1 1 calc R
C96 C 0.14327(18) 0.6854(7) -0.2711(5) 0.040(2) Uani 1 1 d .
C97 C 0.1690(2) 0.6279(7) -0.2370(6) 0.044(3) Uani 1 1 d .
H97A H 0.1730 0.5850 -0.2762 0.065 Uiso 1 1 calc R
H97B H 0.1667 0.5901 -0.1931 0.065 Uiso 1 1 calc R
H97C H 0.1835 0.6728 -0.2207 0.065 Uiso 1 1 calc R
C98 C 0.14633(18) 0.7450(8) -0.3425(4) 0.042(2) Uani 1 1 d .
H98A H 0.1499 0.7017 -0.3818 0.064 Uiso 1 1 calc R
H98B H 0.1608 0.7901 -0.3275 0.064 Uiso 1 1 calc R
H98C H 0.1302 0.7804 -0.3627 0.064 Uiso 1 1 calc R
C99 C 0.1215(2) 0.6113(9) -0.2979(6) 0.058(3) Uani 1 1 d .
H99A H 0.1260 0.5707 -0.3376 0.087 Uiso 1 1 calc R
H99B H 0.1051 0.6446 -0.3187 0.087 Uiso 1 1 calc R
H99C H 0.1196 0.5716 -0.2546 0.087 Uiso 1 1 calc R
C100 C 0.08299(7) 0.7846(4) -0.0923(3) 0.034(2) Uani 1 1 d G
C101 C 0.05995(9) 0.7530(6) -0.1433(2) 0.053(3) Uani 1 1 d G
H101 H 0.0600 0.7410 -0.1953 0.064 Uiso 1 1 calc R
C102 C 0.03680(8) 0.7396(6) -0.1166(3) 0.053(3) Uani 1 1 d G
H102 H 0.0214 0.7185 -0.1508 0.063 Uiso 1 1 calc R
N8 N 0.03670(7) 0.7577(4) -0.0390(3) 0.053(2) Uani 1 1 d G
C103 C 0.05973(9) 0.7892(5) 0.0120(2) 0.051(3) Uani 1 1 d G
H103 H 0.0597 0.8013 0.0640 0.061 Uiso 1 1 calc R
C104 C 0.08288(8) 0.8026(5) -0.0147(2) 0.042(2) Uani 1 1 d G
H104 H 0.0983 0.8237 0.0195 0.051 Uiso 1 1 calc R
N2 N 0.17151(14) 0.6533(6) 0.4061(4) 0.0349(18) Uani 1 1 d .
N3 N 0.31194(14) 0.7503(6) 0.5929(4) 0.0324(17) Uani 1 1 d .
N6 N 0.33252(13) 0.9010(5) 0.0799(4) 0.0291(17) Uani 1 1 d .
N7 N 0.18999(12) 0.9784(5) -0.0940(4) 0.0299(17) Uani 1 1 d .
O1 O 0.16322(12) 0.5315(5) 0.2923(3) 0.0451(17) Uani 1 1 d .
O2 O 0.22574(10) 0.6934(4) 0.4235(3) 0.0265(13) Uani 1 1 d .
O3 O 0.23612(11) 0.7665(4) 0.3122(3) 0.0378(15) Uani 1 1 d D
O4 O 0.25851(10) 0.7378(4) 0.5875(3) 0.0275(13) Uani 1 1 d .
O5 O 0.24472(11) 0.8208(5) 0.6876(3) 0.0380(15) Uani 1 1 d .
O6 O 0.32184(10) 0.6095(5) 0.6949(3) 0.0433(17) Uani 1 1 d .
O7 O 0.33881(12) 0.7850(5) 0.1943(3) 0.0392(15) Uani 1 1 d .
O8 O 0.27864(10) 0.9368(4) 0.0653(3) 0.0268(13) Uani 1 1 d .
O9 O 0.26793(11) 1.0039(5) 0.1782(3) 0.0366(15) Uani 1 1 d .
O10 O 0.24275(10) 0.9728(4) -0.0978(3) 0.0245(13) Uani 1 1 d .
O11 O 0.25797(11) 1.0578(4) -0.1958(3) 0.0306(14) Uani 1 1 d D
O12 O 0.17810(11) 0.8408(4) -0.1949(3) 0.0338(14) Uani 1 1 d U
Cl2 Cl 0.53278(6) 0.3494(3) 0.19573(19) 0.0903(10) Uani 1 1 d DU
O17 O 0.5291(2) 0.4306(8) 0.1432(6) 0.123(2) Uani 1 1 d DU
O18 O 0.5275(2) 0.2521(7) 0.1555(6) 0.123(2) Uani 1 1 d DU
O19 O 0.56042(19) 0.3495(13) 0.2316(10) 0.238(10) Uani 1 1 d D
O20 O 0.5151(3) 0.3601(13) 0.2465(8) 0.206(9) Uani 1 1 d D
Cl1 Cl 0.03503(9) 0.1850(5) 0.6813(3) 0.1287(17) Uani 1 1 d D
O13 O 0.0208(2) 0.1877(9) 0.6012(6) 0.121 Uani 1 1 d D
O14 O 0.0601(4) 0.151(2) 0.6791(19) 0.320 Uani 1 1 d D
O15 O 0.0188(5) 0.1395(18) 0.7262(15) 0.293 Uani 1 1 d D
O16 O 0.0335(5) 0.2965(11) 0.6880(13) 0.298 Uani 1 1 d D
O21 O 0.0330(5) -0.136(2) 0.6440(14) 0.137(8) Uiso 0.50 1 d P
O21A O 0.0675(8) -0.166(4) 0.627(2) 0.236(16) Uiso 0.50 1 d P
O22 O 0.5907(7) 0.250(3) 0.439(2) 0.328(16) Uiso 1 1 d .
O23 O 0.4085(6) 0.984(2) 0.0767(18) 0.294(13) Uiso 1 1 d .
C105 C 0.9781(3) 0.2292(17) 0.8597(9) 0.130(4) Uani 1 1 d D
N9 N 0.9895(3) 0.2152(13) 0.9290(7) 0.130(4) Uani 1 1 d D
C106 C 0.9508(3) 0.2688(16) 0.8327(10) 0.130(4) Uani 1 1 d D
Ag1 Ag 0.00413(7) 0.26977(14) 0.52169(12) 0.0764(10) Uani 0.50 1 d P
Ag3 Ag 0.50354(14) 0.48135(12) 0.0158(3) 0.0730(14) Uani 0.50 1 d PDU
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0180 0.0090 '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 0.1310 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3640 0.7020 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0310 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0490 0.0320 '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
N4 Ag2 N4 177(4) 4_546 3_445
N4 Ag2 O13 91(2) 4_546 .
N4 Ag2 O13 86.8(9) 3_445 .
N4 Ag2 O13 86.8(8) 4_546 2_556
N4 Ag2 O13 91(3) 3_445 2_556
O13 Ag2 O13 85.4(5) . 2_556
N4 Ag2 Ag1 89(2) 4_546 .
N4 Ag2 Ag1 88(2) 3_445 .
O13 Ag2 Ag1 35.6(2) . .
O13 Ag2 Ag1 49.9(2) 2_556 .
N4 Ag2 Ag1 87.7(19) 4_546 2_556
N4 Ag2 Ag1 89(2) 3_445 2_556
O13 Ag2 Ag1 49.9(2) . 2_556
O13 Ag2 Ag1 35.6(2) 2_556 2_556
Ag1 Ag2 Ag1 14.28(7) . 2_556
N8 Ag4 N8 174(3) 3_545 4_545
N8 Ag4 Ag3 86.3(19) 3_545 .
N8 Ag4 Ag3 87.4(14) 4_545 .
N8 Ag4 Ag3 87.4(16) 3_545 2_655
N8 Ag4 Ag3 86.3(16) 4_545 2_655
Ag3 Ag4 Ag3 10.67(15) . 2_655
C1 N1 C5 120.0 . .
C1 N1 Ag1 127.5(4) . .
C5 N1 Ag1 111.6(4) . .
C1 N1 Ag1 107.1(4) . 2_556
C5 N1 Ag1 131.0(4) . 2_556
Ag1 N1 Ag1 20.56(11) . 2_556
C2 C1 N1 120.0 . .
C2 C1 H1 120.0 . .
N1 C1 H1 120.0 . .
C1 C2 C3 120.0 . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 C6 120.5(4) . .
C2 C3 C6 119.4(4) . .
C3 C4 C5 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C4 C5 N1 120.0 . .
C4 C5 H5 120.0 . .
N1 C5 H5 120.0 . .
C14 C12 C15 107.9(9) . .
C14 C12 C13 109.2(8) . .
C15 C12 C13 110.4(8) . .
C14 C12 C10 111.9(7) . .
C15 C12 C10 110.6(7) . .
C13 C12 C10 106.8(8) . .
C7 C6 C11 120.0 . .
C7 C6 C3 120.8(4) . .
C11 C6 C3 119.1(4) . .
C8 C7 C6 120.0 . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C9 C8 C7 120.0 . .
C9 C8 C16 122.0(5) . .
C7 C8 C16 117.7(5) . .
O1 C9 C8 119.2(4) . .
O1 C9 C10 120.8(4) . .
C8 C9 C10 120.0 . .
C9 C10 C11 120.0 . .
C9 C10 C12 120.7(5) . .
C11 C10 C12 119.2(5) . .
C10 C11 C6 120.0 . .
C10 C11 H11 120.0 . .
C6 C11 H11 120.0 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N2 C16 C8 122.1(7) . .
N2 C16 H16 119.0 . .
C8 C16 H16 119.0 . .
C18 C17 C22 120.0 . .
C18 C17 N2 120.2(4) . .
C22 C17 N2 119.8(4) . .
C17 C18 C19 120.0 . .
C17 C18 O2 120.4(4) . .
C19 C18 O2 119.6(4) . .
C20 C19 C18 120.0 . .
C20 C19 C27 121.9(4) . .
C18 C19 C27 118.1(4) . .
C19 C20 C21 120.0 . .
C19 C20 C24 121.4(5) . .
C21 C20 C24 118.5(5) . .
C22 C21 C20 120.0 . .
C22 C21 C23 118.2(5) . .
C20 C21 C23 121.8(5) . .
C21 C22 C17 120.0 . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C20 C24 H24A 109.5 . .
C20 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C20 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
O2 C25 O3 111.3(6) . .
O2 C25 H25A 109.4 . .
O3 C25 H25A 109.4 . .
O2 C25 H25B 109.4 . .
O3 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
O3 C26 H26A 109.5 . .
O3 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
O3 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C28 C27 C32 120.0 . .
C28 C27 C19 119.0(4) . .
C32 C27 C19 121.0(4) . .
O4 C28 C29 120.9(4) . .
O4 C28 C27 119.1(4) . .
C29 C28 C27 120.0 . .
C28 C29 C30 120.0 . .
C28 C29 N3 116.5(4) . .
C30 C29 N3 122.8(4) . .
C31 C30 C29 120.0 . .
C31 C30 H30 120.0 . .
C29 C30 H30 120.0 . .
C32 C31 C30 120.0 . .
C32 C31 C34 121.2(5) . .
C30 C31 C34 118.7(5) . .
C31 C32 C27 120.0 . .
C31 C32 C33 119.1(4) . .
C27 C32 C33 120.8(4) . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C31 C34 H34A 109.5 . .
C31 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C31 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O5 C35 O4 112.7(7) . .
O5 C35 H35A 109.0 . .
O4 C35 H35A 109.0 . .
O5 C35 H35B 109.0 . .
O4 C35 H35B 109.0 . .
H35A C35 H35B 107.8 . .
O5 C36 H36A 109.5 . .
O5 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
O5 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N3 C37 C38 123.7(8) . .
N3 C37 H37 118.1 . .
C38 C37 H37 118.1 . .
C39 C38 C43 120.0 . .
C39 C38 C37 122.8(5) . .
C43 C38 C37 117.2(5) . .
O6 C39 C40 122.0(4) . .
O6 C39 C38 118.0(4) . .
C40 C39 C38 120.0 . .
C41 C40 C39 120.0 . .
C41 C40 C44 120.0(5) . .
C39 C40 C44 119.9(5) . .
C40 C41 C42 120.0 . .
C40 C41 H41 120.0 . .
C42 C41 H41 120.0 . .
C41 C42 C43 120.0 . .
C41 C42 C48 122.6(4) . .
C43 C42 C48 117.1(4) . .
C42 C43 C38 120.0 . .
C42 C43 H43 120.0 . .
C38 C43 H43 120.0 . .
C45 C44 C46 109.6(9) . .
C45 C44 C47 108.5(9) . .
C46 C44 C47 106.3(9) . .
C45 C44 C40 111.2(7) . .
C46 C44 C40 109.4(8) . .
C47 C44 C40 111.7(8) . .
C44 C45 H45A 109.5 . .
C44 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C44 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C44 C46 H46A 109.5 . .
C44 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C44 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
C49 C48 C52 120.0 . .
C49 C48 C42 121.1(4) . .
C52 C48 C42 118.9(4) . .
C48 C49 C50 120.0 . .
C48 C49 H49 120.0 . .
C50 C49 H49 120.0 . .
C49 C50 N4 120.0 . .
C49 C50 H50 120.0 . .
N4 C50 H50 120.0 . .
C51 N4 C50 120.0 . .
C51 N4 Ag2 115.8(3) . 3
C50 N4 Ag2 124.1(3) . 3
N4 C51 C52 120.0 . .
N4 C51 H51 120.0 . .
C52 C51 H51 120.0 . .
C51 C52 C48 120.0 . .
C51 C52 H52 120.0 . .
C48 C52 H52 120.0 . .
C44 C47 H47A 109.5 . .
C44 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C44 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C53 N5 C57 120.0 . .
C53 N5 Ag3 111.8(4) . 2_655
C57 N5 Ag3 126.8(4) . 2_655
C53 N5 Ag3 125.4(4) . .
C57 N5 Ag3 111.7(4) . .
Ag3 N5 Ag3 15.3(2) 2_655 .
C54 C53 N5 120.0 . .
C54 C53 H53 120.0 . .
N5 C53 H53 120.0 . .
C53 C54 C55 120.0 . .
C53 C54 H54 120.0 . .
C55 C54 H54 120.0 . .
C56 C55 C54 120.0 . .
C56 C55 C58 119.7(5) . .
C54 C55 C58 120.2(5) . .
C55 C56 C57 120.0 . .
C55 C56 H56 120.0 . .
C57 C56 H56 120.0 . .
C56 C57 N5 120.0 . .
C56 C57 H57 120.0 . .
N5 C57 H57 120.0 . .
C63 C58 C59 118.1(8) . .
C63 C58 C55 120.4(8) . .
C59 C58 C55 121.3(7) . .
C60 C59 C58 121.0(7) . .
C60 C59 H59 119.5 . .
C58 C59 H59 119.5 . .
C59 C60 C68 121.1(7) . .
C59 C60 C61 119.4(7) . .
C68 C60 C61 119.5(8) . .
O7 C61 C62 122.4(7) . .
O7 C61 C60 118.5(8) . .
C62 C61 C60 119.1(8) . .
C63 C62 C61 118.7(7) . .
C63 C62 C64 122.5(7) . .
C61 C62 C64 118.8(7) . .
C62 C63 C58 123.8(8) . .
C62 C63 H63 118.1 . .
C58 C63 H63 118.1 . .
C66 C64 C67 109.0(8) . .
C66 C64 C65 109.4(7) . .
C67 C64 C65 109.9(8) . .
C66 C64 C62 110.5(7) . .
C67 C64 C62 109.2(6) . .
C65 C64 C62 108.9(7) . .
C64 C65 H65A 109.5 . .
C64 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C64 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C64 C66 H66A 109.5 . .
C64 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C64 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C64 C67 H67A 109.5 . .
C64 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C64 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
N6 C68 C60 123.6(7) . .
N6 C68 H68 118.2 . .
C60 C68 H68 118.2 . .
C70 C69 C74 120.0 . .
C70 C69 N6 118.4(4) . .
C74 C69 N6 121.6(4) . .
C71 C70 C69 120.0 . .
C71 C70 O8 119.5(4) . .
C69 C70 O8 120.5(4) . .
C70 C71 C72 120.0 . .
C70 C71 C79 118.2(4) . .
C72 C71 C79 121.8(4) . .
C73 C72 C71 120.0 . .
C73 C72 C76 119.7(5) . .
C71 C72 C76 120.3(5) . .
C72 C73 C74 120.0 . .
C72 C73 C75 121.2(5) . .
C74 C73 C75 118.8(5) . .
C73 C74 C69 120.0 . .
C73 C74 H74 120.0 . .
C69 C74 H74 120.0 . .
C73 C75 H75A 109.5 . .
C73 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C73 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C72 C76 H76A 109.5 . .
C72 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C72 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
O9 C77 O8 112.7(7) . .
O9 C77 H77A 109.1 . .
O8 C77 H77A 109.1 . .
O9 C77 H77B 109.1 . .
O8 C77 H77B 109.1 . .
H77A C77 H77B 107.8 . .
O9 C78 H78A 109.5 . .
O9 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
O9 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C80 C79 C84 120.0 . .
C80 C79 C71 119.1(4) . .
C84 C79 C71 120.8(4) . .
O10 C80 C81 120.0(4) . .
O10 C80 C79 120.0(4) . .
C81 C80 C79 120.0 . .
C80 C81 C82 120.0 . .
C80 C81 N7 117.0(4) . .
C82 C81 N7 122.5(4) . .
C81 C82 C83 120.0 . .
C81 C82 H82 120.0 . .
C83 C82 H82 120.0 . .
C84 C83 C82 120.0 . .
C84 C83 C86 120.1(5) . .
C82 C83 C86 119.8(5) . .
C83 C84 C79 120.0 . .
C83 C84 C85 119.7(5) . .
C79 C84 C85 120.0(5) . .
C84 C85 H85A 109.5 . .
C84 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C84 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C83 C86 H86A 109.5 . .
C83 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C83 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
O11 C87 O10 111.4(6) . .
O11 C87 H87A 109.3 . .
O10 C87 H87A 109.3 . .
O11 C87 H87B 109.3 . .
O10 C87 H87B 109.3 . .
H87A C87 H87B 108.0 . .
O11 C88 H88A 109.5 . .
O11 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
O11 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
N7 C89 C90 122.3(7) . .
N7 C89 H89 118.8 . .
C90 C89 H89 118.8 . .
C91 C90 C95 120.0 . .
C91 C90 C89 122.1(5) . .
C95 C90 C89 117.9(5) . .
O12 C91 C92 120.6(4) . .
O12 C91 C90 119.3(4) . .
C92 C91 C90 120.0 . .
C91 C92 C93 120.0 . .
C91 C92 C96 121.7(5) . .
C93 C92 C96 118.2(5) . .
C94 C93 C92 120.0 . .
C94 C93 H93 120.0 . .
C92 C93 H93 120.0 . .
C93 C94 C95 120.0 . .
C93 C94 C100 120.4(4) . .
C95 C94 C100 119.6(4) . .
C94 C95 C90 120.0 . .
C94 C95 H95 120.0 . .
C90 C95 H95 120.0 . .
C99 C96 C98 107.8(8) . .
C99 C96 C97 107.2(8) . .
C98 C96 C97 110.6(7) . .
C99 C96 C92 112.6(7) . .
C98 C96 C92 109.6(7) . .
C97 C96 C92 109.0(7) . .
C96 C97 H97A 109.5 . .
C96 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
C96 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C96 C98 H98A 109.5 . .
C96 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C96 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C96 C99 H99A 109.5 . .
C96 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C96 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
C101 C100 C104 120.0 . .
C101 C100 C94 119.9(3) . .
C104 C100 C94 120.0(4) . .
C102 C101 C100 120.0 . .
C102 C101 H101 120.0 . .
C100 C101 H101 120.0 . .
C101 C102 N8 120.0 . .
C101 C102 H102 120.0 . .
N8 C102 H102 120.0 . .
C102 N8 C103 120.0 . .
C102 N8 Ag4 119.9(2) . 3_455
C103 N8 Ag4 119.9(3) . 3_455
C104 C103 N8 120.0 . .
C104 C103 H103 120.0 . .
N8 C103 H103 120.0 . .
C103 C104 C100 120.0 . .
C103 C104 H104 120.0 . .
C100 C104 H104 120.0 . .
C16 N2 C17 120.5(6) . .
C37 N3 C29 121.6(7) . .
C68 N6 C69 121.3(6) . .
C89 N7 C81 120.4(6) . .
C18 O2 C25 114.8(6) . .
C26 O3 C25 112.9(7) . .
C28 O4 C35 114.8(6) . .
C35 O5 C36 113.9(7) . .
C70 O8 C77 115.8(6) . .
C77 O9 C78 113.1(7) . .
C80 O10 C87 116.5(5) . .
C87 O11 C88 112.0(6) . .
O20 Cl2 O19 116.2(9) . .
O20 Cl2 O17 108.4(9) . .
O19 Cl2 O17 105.1(8) . .
O20 Cl2 O18 108.1(7) . .
O19 Cl2 O18 105.6(8) . .
O17 Cl2 O18 113.6(6) . .
Cl2 O17 Ag3 141.5(7) . .
O14 Cl1 O15 122.5(14) . .
O14 Cl1 O13 105.0(15) . .
O15 Cl1 O13 108.8(13) . .
O14 Cl1 O16 113.9(13) . .
O15 Cl1 O16 110.2(12) . .
O13 Cl1 O16 91.5(9) . .
Cl1 O13 Ag1 143.8(8) . .
Cl1 O13 Ag1 154.7(8) . 2_556
Ag1 O13 Ag1 10.95(12) . 2_556
Cl1 O13 Ag2 131.1(7) . .
Ag1 O13 Ag2 84.7(4) . .
Ag1 O13 Ag2 73.7(3) 2_556 .
N9 C105 C106 125.4(17) . .
Ag1 Ag1 O13 142.5(3) 2_556 .
Ag1 Ag1 N1 82.9(6) 2_556 .
O13 Ag1 N1 98.8(4) . .
Ag1 Ag1 N1 76.6(6) 2_556 2_556
O13 Ag1 N1 108.5(4) . 2_556
N1 Ag1 N1 152.6(3) . 2_556
Ag1 Ag1 O13 26.5(3) 2_556 2_556
O13 Ag1 O13 116.1(6) . 2_556
N1 Ag1 O13 89.4(3) . 2_556
N1 Ag1 O13 80.3(3) 2_556 2_556
Ag1 Ag1 Ag2 82.86(4) 2_556 .
O13 Ag1 Ag2 59.8(3) . .
N1 Ag1 Ag2 98.1(2) . .
N1 Ag1 Ag2 97.1(2) 2_556 .
O13 Ag1 Ag2 56.4(3) 2_556 .
Ag3 Ag3 N5 91.6(17) 2_655 2_655
Ag3 Ag3 N5 73.1(16) 2_655 .
N5 Ag3 N5 155.0(3) 2_655 .
Ag3 Ag3 O17 163.1(5) 2_655 .
N5 Ag3 O17 94.6(4) 2_655 .
N5 Ag3 O17 105.8(5) . .
Ag3 Ag3 Ag4 84.67(7) 2_655 .
N5 Ag3 Ag4 100.2(3) 2_655 .
N5 Ag3 Ag4 98.0(3) . .
O17 Ag3 Ag4 78.8(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag2 N4 2.132(15) 4_546
Ag2 N4 2.132(15) 3_445
Ag2 O13 2.748(11) .
Ag2 O13 2.748(11) 2_556
Ag2 Ag1 3.167(2) .
Ag2 Ag1 3.167(2) 2_556
Ag4 N8 2.157(15) 3_545
Ag4 N8 2.157(14) 4_545
Ag4 Ag3 3.195(2) .
Ag4 Ag3 3.195(2) 2_655
N1 C1 1.3900 .
N1 C5 1.3900 .
N1 Ag1 2.181(5) .
N1 Ag1 2.225(6) 2_556
C1 C2 1.3900 .
C1 H1 0.9300 .
C2 C3 1.3900 .
C2 H2 0.9300 .
C3 C4 1.3900 .
C3 C6 1.516(5) .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 H5 0.9300 .
C12 C14 1.511(14) .
C12 C15 1.536(14) .
C12 C13 1.551(16) .
C12 C10 1.566(9) .
C6 C7 1.3900 .
C6 C11 1.3900 .
C7 C8 1.3900 .
C7 H7 0.9300 .
C8 C9 1.3900 .
C8 C16 1.451(10) .
C9 O1 1.356(7) .
C9 C10 1.3900 .
C10 C11 1.3900 .
C11 H11 0.9300 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 N2 1.314(11) .
C16 H16 0.9300 .
C17 C18 1.3900 .
C17 C22 1.3900 .
C17 N2 1.411(8) .
C18 C19 1.3900 .
C18 O2 1.393(6) .
C19 C20 1.3900 .
C19 C27 1.511(5) .
C20 C21 1.3900 .
C20 C24 1.535(10) .
C21 C22 1.3900 .
C21 C23 1.521(10) .
C22 H22 0.9300 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 O2 1.421(9) .
C25 O3 1.444(10) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 O3 1.412(11) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 C28 1.3900 .
C27 C32 1.3900 .
C28 O4 1.386(6) .
C28 C29 1.3900 .
C29 C30 1.3900 .
C29 N3 1.423(8) .
C30 C31 1.3900 .
C30 H30 0.9300 .
C31 C32 1.3900 .
C31 C34 1.510(10) .
C32 C33 1.522(9) .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 O5 1.387(10) .
C35 O4 1.418(9) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 O5 1.413(10) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
C37 N3 1.268(12) .
C37 C38 1.463(11) .
C37 H37 0.9300 .
C38 C39 1.3900 .
C38 C43 1.3900 .
C39 O6 1.363(6) .
C39 C40 1.3900 .
C40 C41 1.3900 .
C40 C44 1.560(10) .
C41 C42 1.3900 .
C41 H41 0.9300 .
C42 C43 1.3900 .
C42 C48 1.530(5) .
C43 H43 0.9300 .
C44 C45 1.500(14) .
C44 C46 1.521(16) .
C44 C47 1.545(15) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C48 C49 1.3900 .
C48 C52 1.3900 .
C49 C50 1.3900 .
C49 H49 0.9300 .
C50 N4 1.3900 .
C50 H50 0.9300 .
N4 C51 1.3900 .
N4 Ag2 2.132(4) 3
C51 C52 1.3900 .
C51 H51 0.9300 .
C52 H52 0.9300 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
N5 C53 1.3900 .
N5 C57 1.3900 .
N5 Ag3 2.152(9) 2_655
N5 Ag3 2.249(9) .
C53 C54 1.3900 .
C53 H53 0.9300 .
C54 C55 1.3900 .
C54 H54 0.9300 .
C55 C56 1.3900 .
C55 C58 1.532(10) .
C56 C57 1.3900 .
C56 H56 0.9300 .
C57 H57 0.9300 .
C58 C63 1.380(12) .
C58 C59 1.394(12) .
C59 C60 1.381(12) .
C59 H59 0.9300 .
C60 C68 1.438(12) .
C60 C61 1.445(12) .
C61 O7 1.328(10) .
C61 C62 1.394(12) .
C62 C63 1.371(12) .
C62 C64 1.567(11) .
C63 H63 0.9300 .
C64 C66 1.509(13) .
C64 C67 1.544(13) .
C64 C65 1.560(13) .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
C67 H67A 0.9600 .
C67 H67B 0.9600 .
C67 H67C 0.9600 .
C68 N6 1.278(11) .
C68 H68 0.9300 .
C69 C70 1.3900 .
C69 C74 1.3900 .
C69 N6 1.430(7) .
C70 C71 1.3900 .
C70 O8 1.397(6) .
C71 C72 1.3900 .
C71 C79 1.501(5) .
C72 C73 1.3900 .
C72 C76 1.522(10) .
C73 C74 1.3900 .
C73 C75 1.534(9) .
C74 H74 0.9300 .
C75 H75A 0.9600 .
C75 H75B 0.9600 .
C75 H75C 0.9600 .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 O9 1.381(10) .
C77 O8 1.457(9) .
C77 H77A 0.9700 .
C77 H77B 0.9700 .
C78 O9 1.410(11) .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C79 C80 1.3900 .
C79 C84 1.3900 .
C80 O10 1.369(6) .
C80 C81 1.3900 .
C81 C82 1.3900 .
C81 N7 1.447(8) .
C82 C83 1.3900 .
C82 H82 0.9300 .
C83 C84 1.3900 .
C83 C86 1.505(10) .
C84 C85 1.535(9) .
C85 H85A 0.9600 .
C85 H85B 0.9600 .
C85 H85C 0.9600 .
C86 H86A 0.9600 .
C86 H86B 0.9600 .
C86 H86C 0.9600 .
C87 O11 1.421(9) .
C87 O10 1.430(9) .
C87 H87A 0.9700 .
C87 H87B 0.9700 .
C88 O11 1.425(10) .
C88 H88A 0.9600 .
C88 H88B 0.9600 .
C88 H88C 0.9600 .
C89 N7 1.292(11) .
C89 C90 1.446(10) .
C89 H89 0.9300 .
C90 C91 1.3900 .
C90 C95 1.3900 .
C91 O12 1.347(6) .
C91 C92 1.3900 .
C92 C93 1.3900 .
C92 C96 1.582(10) .
C93 C94 1.3900 .
C93 H93 0.9300 .
C94 C95 1.3900 .
C94 C100 1.523(5) .
C95 H95 0.9300 .
C96 C99 1.510(15) .
C96 C98 1.535(13) .
C96 C97 1.547(14) .
C97 H97A 0.9600 .
C97 H97B 0.9600 .
C97 H97C 0.9600 .
C98 H98A 0.9600 .
C98 H98B 0.9600 .
C98 H98C 0.9600 .
C99 H99A 0.9600 .
C99 H99B 0.9600 .
C99 H99C 0.9600 .
C100 C101 1.3900 .
C100 C104 1.3900 .
C101 C102 1.3900 .
C101 H101 0.9300 .
C102 N8 1.3900 .
C102 H102 0.9300 .
N8 C103 1.3900 .
N8 Ag4 2.157(3) 3_455
C103 C104 1.3900 .
C103 H103 0.9300 .
C104 H104 0.9300 .
Cl2 O20 1.420(10) .
Cl2 O19 1.426(10) .
Cl2 O17 1.432(10) .
Cl2 O18 1.505(9) .
O17 Ag3 2.436(11) .
Cl1 O14 1.385(15) .
Cl1 O15 1.417(15) .
Cl1 O13 1.437(10) .
Cl1 O16 1.535(15) .
O13 Ag1 1.851(11) .
O13 Ag1 2.522(11) 2_556
C105 N9 1.246(14) .
C105 C106 1.485(16) .
Ag1 Ag1 0.787(4) 2_556
Ag1 N1 2.225(6) 2_556
Ag1 O13 2.522(11) 2_556
Ag3 Ag3 0.594(8) 2_655
Ag3 N5 2.152(9) 2_655
