#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:05:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179714 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/16/7001631.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_7001631
loop_
_publ_author_name
'Halder, Partha'
'Zangrando, Ennio'
'Paine, Tapan Kanti'
_publ_section_title
;
 Self-assembly of silver(i) and bis-bidentate N,N-donor ligands: from a
 tetranuclear complex to coordination polymers
;
_journal_issue                   27
_journal_name_full               'Dalton Transactions'
_journal_page_first              5386
_journal_page_last               5394
_journal_paper_doi               10.1039/b900581a
_journal_year                    2009
_chemical_formula_moiety         'C88 H88 Ag4 N16 4+, 4(Cl O4 1-)'
_chemical_formula_sum            'C88 H88 Ag4 Cl4 N16 O16'
_chemical_formula_weight         2199.02
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 90.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.221(3)
_cell_length_b                   25.437(4)
_cell_length_c                   19.302(3)
_cell_measurement_temperature    150(2)
_cell_volume                     9927(3)
_computing_cell_refinement       'Bruker Apex II'
_computing_data_collection       'APEX2 v2.1-0 (Bruker AXS)'
_computing_data_reduction        'Bruker Apex II'
_computing_molecular_graphics    'Ortep3/windows (Farrugia,1997)'
_computing_publication_material  'Wingx 1.70.00 (Farrugia, 1999)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1998)'
_computing_structure_solution    'SHELX97 (Sheldrick, 1998)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'w/ and f/ scan'
_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  0.0651
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            56470
_diffrn_reflns_theta_full        25.52
_diffrn_reflns_theta_max         25.52
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    0.953
_exptl_absorpt_correction_T_max  0.8802
_exptl_absorpt_correction_T_min  0.7087
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Bruker (2000) SADABS
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             4448
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.715
_refine_diff_density_min         -0.512
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     574
_refine_ls_number_reflns         9199
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0645
_refine_ls_R_factor_gt           0.0476
_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)+(0.0619P)²+34.0290P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1156
_refine_ls_wR_factor_ref         0.1233
_reflns_number_gt                3234
_reflns_number_total             9199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900581a.txt
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7001631
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'
'-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.63678(3) 0.88130(2) 0.51050(4) 0.0596(3) Uani 1 1 d . . .
Ag2 Ag 0.71112(4) 0.82964(3) 0.18600(4) 0.0913(4) Uani 1 1 d . . .
N1 N 0.5850(4) 0.8106(3) 0.5547(4) 0.0588(19) Uani 1 1 d . . .
N2 N 0.6826(4) 0.8037(3) 0.4538(4) 0.064(2) Uani 1 1 d . . .
N3 N 0.8159(5) 0.8382(3) 0.1484(7) 0.092(3) Uani 1 1 d . . .
N4 N 0.7086(5) 0.8167(3) 0.0635(5) 0.071(2) Uani 1 1 d . . .
C1 C 0.5392(5) 0.8129(4) 0.6044(5) 0.065(3) Uani 1 1 d . . .
C2 C 0.5081(5) 0.7663(5) 0.6272(6) 0.097(4) Uani 1 1 d . . .
H2 H 0.4768 0.7675 0.6621 0.116 Uiso 1 1 calc R . .
C3 C 0.5245(6) 0.7196(5) 0.5973(8) 0.121(5) Uani 1 1 d . . .
H3 H 0.5037 0.6887 0.6110 0.145 Uiso 1 1 calc R . .
C4 C 0.5716(6) 0.7182(4) 0.5469(8) 0.116(4) Uani 1 1 d . . .
H4 H 0.5833 0.6866 0.5262 0.139 Uiso 1 1 calc R . .
C5 C 0.6013(4) 0.7647(4) 0.5274(6) 0.073(3) Uani 1 1 d . . .
C6 C 0.6525(5) 0.7633(4) 0.4747(6) 0.084(3) Uani 1 1 d . . .
H6 H 0.6635 0.7310 0.4554 0.100 Uiso 1 1 calc R . .
C7 C 0.7323(4) 0.8023(4) 0.4030(5) 0.067(3) Uani 1 1 d . . .
C8 C 0.7575(5) 0.8498(4) 0.3826(5) 0.068(3) Uani 1 1 d . . .
H8 H 0.7422 0.8806 0.4028 0.082 Uiso 1 1 calc R . .
C9 C 0.8052(5) 0.8524(4) 0.3325(5) 0.077(3) Uani 1 1 d . . .
H9 H 0.8221 0.8850 0.3199 0.092 Uiso 1 1 calc R . .
C10 C 0.8284(4) 0.8078(5) 0.3006(5) 0.077(3) Uani 1 1 d . . .
C11 C 0.8035(6) 0.7602(5) 0.3221(6) 0.097(4) Uani 1 1 d . . .
H11 H 0.8194 0.7295 0.3020 0.116 Uiso 1 1 calc R . .
C12 C 0.7560(5) 0.7565(4) 0.3720(6) 0.083(3) Uani 1 1 d . . .
H12 H 0.7398 0.7238 0.3852 0.100 Uiso 1 1 calc R . .
C13 C 0.8831(5) 0.8096(5) 0.2475(7) 0.102(4) Uani 1 1 d . . .
H13A H 0.8865 0.7754 0.2257 0.122 Uiso 1 1 calc R . .
H13B H 0.9248 0.8166 0.2713 0.122 Uiso 1 1 calc R . .
C14 C 0.8728(6) 0.8511(5) 0.1912(8) 0.109(5) Uani 1 1 d . . .
H14A H 0.8663 0.8852 0.2125 0.131 Uiso 1 1 calc R . .
H14B H 0.9118 0.8530 0.1626 0.131 Uiso 1 1 calc R . .
C15 C 0.8227(7) 0.8379(4) 0.0829(9) 0.092(4) Uani 1 1 d . . .
H15 H 0.8639 0.8453 0.0644 0.110 Uiso 1 1 calc R . .
C16 C 0.7665(7) 0.8259(4) 0.0355(7) 0.082(3) Uani 1 1 d . . .
C17 C 0.7785(7) 0.8247(4) -0.0344(8) 0.102(4) Uani 1 1 d . . .
H17 H 0.8205 0.8309 -0.0515 0.122 Uiso 1 1 calc R . .
C18 C 0.7266(9) 0.8139(5) -0.0777(7) 0.120(5) Uani 1 1 d . . .
H18 H 0.7321 0.8139 -0.1254 0.143 Uiso 1 1 calc R . .
C19 C 0.6657(6) 0.8030(4) -0.0496(6) 0.090(3) Uani 1 1 d . . .
H19 H 0.6299 0.7947 -0.0783 0.108 Uiso 1 1 calc R . .
C20 C 0.6580(7) 0.8046(4) 0.0215(7) 0.080(3) Uani 1 1 d . . .
C41 C 0.5214(4) 0.8645(4) 0.6330(5) 0.075(3) Uani 1 1 d . . .
H41A H 0.5474 0.8913 0.6115 0.112 Uiso 1 1 calc R . .
H41B H 0.5297 0.8647 0.6821 0.112 Uiso 1 1 calc R . .
H41C H 0.4753 0.8712 0.6242 0.112 Uiso 1 1 calc R . .
C42 C 0.5939(5) 0.7914(4) 0.0543(5) 0.090(3) Uani 1 1 d . . .
H42A H 0.5982 0.7947 0.1037 0.135 Uiso 1 1 calc R . .
H42B H 0.5818 0.7560 0.0427 0.135 Uiso 1 1 calc R . .
H42C H 0.5603 0.8151 0.0376 0.135 Uiso 1 1 calc R . .
N5 N 0.7151(4) 0.9464(3) 0.5167(4) 0.0570(19) Uani 1 1 d . . .
N6 N 0.5930(4) 0.9554(3) 0.4526(4) 0.0568(19) Uani 1 1 d . . .
N7 N 0.3441(4) 0.8955(3) 0.2551(4) 0.071(2) Uani 1 1 d . . .
N8 N 0.3672(4) 0.7901(3) 0.2467(4) 0.069(2) Uani 1 1 d . . .
C21 C 0.7753(6) 0.9414(4) 0.5440(5) 0.068(3) Uani 1 1 d . . .
C22 C 0.8231(5) 0.9809(5) 0.5368(6) 0.096(3) Uani 1 1 d . . .
H22 H 0.8653 0.9775 0.5558 0.115 Uiso 1 1 calc R . .
C23 C 0.8041(7) 1.0254(5) 0.4997(8) 0.118(5) Uani 1 1 d . . .
H23 H 0.8345 1.0524 0.4940 0.142 Uiso 1 1 calc R . .
C24 C 0.7429(6) 1.0304(4) 0.4717(7) 0.100(4) Uani 1 1 d . . .
H24 H 0.7310 1.0603 0.4469 0.120 Uiso 1 1 calc R . .
C25 C 0.6989(6) 0.9902(4) 0.4810(5) 0.066(3) Uani 1 1 d . . .
C26 C 0.6335(6) 0.9933(4) 0.4511(5) 0.066(3) Uani 1 1 d . . .
H26 H 0.6204 1.0244 0.4298 0.079 Uiso 1 1 calc R . .
C27 C 0.5289(5) 0.9608(3) 0.4222(5) 0.060(2) Uani 1 1 d . . .
C28 C 0.5118(5) 0.9958(3) 0.3679(5) 0.063(3) Uani 1 1 d . . .
H28 H 0.5442 1.0175 0.3497 0.076 Uiso 1 1 calc R . .
C29 C 0.4491(6) 0.9984(4) 0.3417(5) 0.066(3) Uani 1 1 d . . .
H29 H 0.4394 1.0221 0.3063 0.079 Uiso 1 1 calc R . .
C30 C 0.4002(5) 0.9667(4) 0.3667(5) 0.061(2) Uani 1 1 d . . .
C31 C 0.4158(5) 0.9314(3) 0.4184(5) 0.059(2) Uani 1 1 d . . .
H31 H 0.3829 0.9095 0.4353 0.070 Uiso 1 1 calc R . .
C32 C 0.4791(5) 0.9279(3) 0.4457(4) 0.061(2) Uani 1 1 d . . .
H32 H 0.4885 0.9034 0.4801 0.073 Uiso 1 1 calc R . .
C33 C 0.3324(5) 0.9705(4) 0.3355(5) 0.078(3) Uani 1 1 d . . .
H33A H 0.3175 1.0067 0.3378 0.094 Uiso 1 1 calc R . .
H33B H 0.3023 0.9493 0.3624 0.094 Uiso 1 1 calc R . .
C34 C 0.3296(5) 0.9521(4) 0.2597(5) 0.078(3) Uani 1 1 d . . .
H34A H 0.2860 0.9590 0.2403 0.093 Uiso 1 1 calc R . .
H34B H 0.3616 0.9717 0.2329 0.093 Uiso 1 1 calc R . .
C35 C 0.3898(5) 0.8802(4) 0.2172(5) 0.066(3) Uani 1 1 d . . .
H35 H 0.4148 0.9047 0.1932 0.079 Uiso 1 1 calc R . .
C36 C 0.4046(5) 0.8239(4) 0.2100(5) 0.069(3) Uani 1 1 d . . .
C37 C 0.4530(5) 0.8074(4) 0.1655(5) 0.081(3) Uani 1 1 d . . .
H37 H 0.4781 0.8315 0.1410 0.097 Uiso 1 1 calc R . .
C38 C 0.4633(5) 0.7537(5) 0.1580(5) 0.096(4) Uani 1 1 d . . .
H38 H 0.4952 0.7413 0.1278 0.115 Uiso 1 1 calc R . .
C39 C 0.4265(5) 0.7198(4) 0.1953(5) 0.095(3) Uani 1 1 d . . .
H39 H 0.4328 0.6837 0.1911 0.114 Uiso 1 1 calc R . .
C40 C 0.3790(5) 0.7396(5) 0.2399(5) 0.087(3) Uani 1 1 d . . .
C43 C 0.7908(5) 0.8922(4) 0.5818(5) 0.086(3) Uani 1 1 d . . .
H43A H 0.7525 0.8698 0.5816 0.129 Uiso 1 1 calc R . .
H43B H 0.8032 0.9003 0.6288 0.129 Uiso 1 1 calc R . .
H43C H 0.8266 0.8744 0.5596 0.129 Uiso 1 1 calc R . .
C44 C 0.3370(6) 0.7025(4) 0.2814(6) 0.117(4) Uani 1 1 d . . .
H44A H 0.3069 0.7223 0.3093 0.176 Uiso 1 1 calc R . .
H44B H 0.3649 0.6814 0.3109 0.176 Uiso 1 1 calc R . .
H44C H 0.3123 0.6800 0.2506 0.176 Uiso 1 1 calc R . .
Cl1 Cl 0.15936(14) 0.61332(10) 0.27150(14) 0.0739(7) Uani 1 1 d D . .
O1 O 0.2208(6) 0.6068(4) 0.3020(7) 0.221(7) Uani 1 1 d D . .
O2 O 0.1347(3) 0.6647(2) 0.2850(3) 0.0770(18) Uani 1 1 d D . .
O3 O 0.1158(5) 0.5770(3) 0.2916(5) 0.193(6) Uani 1 1 d D . .
O4 O 0.1709(5) 0.6046(3) 0.2002(5) 0.161(4) Uani 1 1 d D . .
Cl2 Cl 0.47332(13) 0.61765(10) 0.4281(2) 0.1070(11) Uani 1 1 d D . .
O5 O 0.4470(9) 0.5737(7) 0.4534(12) 0.150(7) Uiso 0.50 1 d PD . .
O6 O 0.4557(7) 0.6653(5) 0.4633(8) 0.110(5) Uiso 0.50 1 d PD . .
O7 O 0.4587(12) 0.6289(10) 0.3572(9) 0.205(10) Uiso 0.50 1 d PD . .
O8 O 0.5390(6) 0.6145(5) 0.4111(8) 0.076(4) Uiso 0.50 1 d PD . .
O14 O 0.4426(9) 0.6644(8) 0.4056(11) 0.140(6) Uiso 0.50 1 d P . .
O11 O 0.4335(11) 0.5778(10) 0.4008(13) 0.176(8) Uiso 0.50 1 d P . .
O12 O 0.4550(10) 0.6094(8) 0.5036(11) 0.150(7) Uiso 0.50 1 d P . .
O13 O 0.5434(9) 0.6151(7) 0.4492(11) 0.126(7) Uiso 0.50 1 d P . .
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'
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'
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
_geom_angle_publ_flag
N1 Ag1 N5 151.6(3) . . ?
N1 Ag1 N6 130.1(3) . . ?
N5 Ag1 N6 72.7(3) . . ?
N1 Ag1 N2 72.8(3) . . ?
N5 Ag1 N2 110.0(3) . . ?
N6 Ag1 N2 125.1(2) . . ?
N3 Ag2 N8 151.8(3) . 2_655 ?
N3 Ag2 N7 123.2(3) . 2_655 ?
N8 Ag2 N7 72.4(3) 2_655 2_655 ?
N3 Ag2 N4 72.8(4) . . ?
N8 Ag2 N4 119.6(3) 2_655 . ?
N7 Ag2 N4 125.5(3) 2_655 . ?
C5 N1 C1 120.0(8) . . ?
C5 N1 Ag1 115.8(6) . . ?
C1 N1 Ag1 124.2(6) . . ?
C6 N2 C7 123.4(8) . . ?
C6 N2 Ag1 109.1(6) . . ?
C7 N2 Ag1 127.4(6) . . ?
C15 N3 C14 118.3(11) . . ?
C15 N3 Ag2 115.6(9) . . ?
C14 N3 Ag2 125.6(8) . . ?
C16 N4 C20 118.0(10) . . ?
C16 N4 Ag2 112.0(9) . . ?
C20 N4 Ag2 129.9(7) . . ?
N1 C1 C2 119.8(9) . . ?
N1 C1 C41 118.9(8) . . ?
C2 C1 C41 121.3(10) . . ?
C3 C2 C1 119.2(10) . . ?
C2 C3 C4 119.8(10) . . ?
C3 C4 C5 118.7(11) . . ?
N1 C5 C4 122.4(10) . . ?
N1 C5 C6 118.6(8) . . ?
C4 C5 C6 119.0(10) . . ?
N2 C6 C5 123.5(9) . . ?
C8 C7 C12 118.8(9) . . ?
C8 C7 N2 116.6(8) . . ?
C12 C7 N2 124.6(9) . . ?
C7 C8 C9 120.7(8) . . ?
C10 C9 C8 121.3(9) . . ?
C9 C10 C11 117.6(9) . . ?
C9 C10 C13 122.1(10) . . ?
C11 C10 C13 120.1(10) . . ?
C12 C11 C10 122.2(9) . . ?
C11 C12 C7 119.3(9) . . ?
C10 C13 C14 114.0(9) . . ?
N3 C14 C13 110.6(10) . . ?
N3 C15 C16 121.5(11) . . ?
N4 C16 C17 124.6(14) . . ?
N4 C16 C15 117.5(11) . . ?
C17 C16 C15 117.9(13) . . ?
C18 C17 C16 117.6(13) . . ?
C17 C18 C19 118.9(12) . . ?
C18 C19 C20 119.7(13) . . ?
N4 C20 C19 121.0(11) . . ?
N4 C20 C42 117.4(10) . . ?
C19 C20 C42 121.6(13) . . ?
C21 N5 C25 119.9(8) . . ?
C21 N5 Ag1 125.6(6) . . ?
C25 N5 Ag1 114.0(7) . . ?
C26 N6 C27 120.1(8) . . ?
C26 N6 Ag1 112.4(7) . . ?
C27 N6 Ag1 127.5(6) . . ?
C35 N7 C34 119.3(8) . . ?
C35 N7 Ag2 115.2(6) . 2_655 ?
C34 N7 Ag2 125.4(6) . 2_655 ?
C40 N8 C36 117.8(8) . . ?
C40 N8 Ag2 127.8(6) . 2_655 ?
C36 N8 Ag2 114.4(6) . 2_655 ?
N5 C21 C22 121.5(10) . . ?
N5 C21 C43 117.6(9) . . ?
C22 C21 C43 120.9(11) . . ?
C23 C22 C21 116.7(11) . . ?
C24 C23 C22 121.9(11) . . ?
C23 C24 C25 118.1(11) . . ?
N5 C25 C24 122.0(10) . . ?
N5 C25 C26 117.8(9) . . ?
C24 C25 C26 120.1(11) . . ?
N6 C26 C25 122.7(9) . . ?
C32 C27 C28 116.7(9) . . ?
C32 C27 N6 117.8(9) . . ?
C28 C27 N6 125.5(9) . . ?
C29 C28 C27 121.7(9) . . ?
C28 C29 C30 120.9(9) . . ?
C29 C30 C31 118.7(9) . . ?
C29 C30 C33 119.0(9) . . ?
C31 C30 C33 122.3(9) . . ?
C30 C31 C32 121.4(8) . . ?
C31 C32 C27 120.6(8) . . ?
C30 C33 C34 112.7(7) . . ?
N7 C34 C33 110.5(7) . . ?
N7 C35 C36 120.8(9) . . ?
N8 C36 C37 122.7(9) . . ?
N8 C36 C35 117.0(8) . . ?
C37 C36 C35 120.2(9) . . ?
C36 C37 C38 118.3(9) . . ?
C39 C38 C37 119.2(9) . . ?
C38 C39 C40 119.0(10) . . ?
N8 C40 C39 122.9(9) . . ?
N8 C40 C44 117.1(9) . . ?
C39 C40 C44 119.9(11) . . ?
O3 Cl1 O1 112.8(8) . . ?
O3 Cl1 O4 106.9(6) . . ?
O1 Cl1 O4 103.7(7) . . ?
O3 Cl1 O2 110.3(5) . . ?
O1 Cl1 O2 110.4(5) . . ?
O4 Cl1 O2 112.6(4) . . ?
O5 Cl2 O8 115.5(10) . . ?
O5 Cl2 O7 116.2(13) . . ?
O8 Cl2 O7 88.3(12) . . ?
O5 Cl2 O6 115.6(11) . . ?
O8 Cl2 O6 114.1(8) . . ?
O7 Cl2 O6 103.6(11) . . ?
O11 Cl2 O14 104.3(13) . . ?
O11 Cl2 O13 128.6(12) . . ?
O14 Cl2 O13 122.8(11) . . ?
O11 Cl2 O12 96.7(12) . . ?
O14 Cl2 O12 107.5(11) . . ?
O13 Cl2 O12 88.5(11) . . ?
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 N1 2.255(7) . ?
Ag1 N5 2.293(7) . ?
Ag1 N6 2.357(7) . ?
Ag1 N2 2.445(7) . ?
Ag2 N3 2.258(9) . ?
Ag2 N8 2.293(7) 2_655 ?
Ag2 N7 2.318(7) 2_655 ?
Ag2 N4 2.387(9) . ?
N1 C5 1.324(10) . ?
N1 C1 1.345(10) . ?
N2 C6 1.262(11) . ?
N2 C7 1.414(11) . ?
N3 C15 1.273(14) . ?
N3 C14 1.445(14) . ?
N4 C16 1.317(12) . ?
N4 C20 1.333(12) . ?
C1 C2 1.415(13) . ?
C1 C41 1.470(12) . ?
C2 C3 1.363(15) . ?
C3 C4 1.371(15) . ?
C4 C5 1.379(13) . ?
C5 C6 1.462(13) . ?
C7 C8 1.370(12) . ?
C7 C12 1.398(12) . ?
C8 C9 1.376(11) . ?
C9 C10 1.376(12) . ?
C10 C11 1.377(13) . ?
C10 C13 1.519(13) . ?
C11 C12 1.373(13) . ?
C13 C14 1.527(15) . ?
C15 C16 1.482(15) . ?
C16 C17 1.373(15) . ?
C17 C18 1.361(17) . ?
C18 C19 1.380(16) . ?
C19 C20 1.383(13) . ?
C20 C42 1.488(13) . ?
N5 C21 1.327(11) . ?
N5 C25 1.347(11) . ?
N6 C26 1.265(10) . ?
N6 C27 1.424(11) . ?
N7 C35 1.248(10) . ?
N7 C34 1.473(11) . ?
N7 Ag2 2.318(7) 2_655 ?
N8 C40 1.313(12) . ?
N8 C36 1.349(11) . ?
N8 Ag2 2.293(7) 2_655 ?
C21 C22 1.401(13) . ?
C21 C43 1.481(12) . ?
C22 C23 1.391(15) . ?
C23 C24 1.350(15) . ?
C24 C25 1.370(13) . ?
C25 C26 1.439(12) . ?
C27 C32 1.389(11) . ?
C27 C28 1.413(12) . ?
C28 C29 1.360(11) . ?
C29 C30 1.368(12) . ?
C30 C31 1.376(11) . ?
C30 C33 1.495(12) . ?
C31 C32 1.382(11) . ?
C33 C34 1.536(12) . ?
C35 C36 1.469(12) . ?
C36 C37 1.377(12) . ?
C37 C38 1.388(13) . ?
C38 C39 1.353(13) . ?
C39 C40 1.393(13) . ?
C40 C44 1.509(13) . ?
Cl1 O3 1.337(7) . ?
Cl1 O1 1.379(9) . ?
Cl1 O4 1.416(8) . ?
Cl1 O2 1.425(6) . ?
Cl2 O5 1.333(15) . ?
Cl2 O8 1.374(12) . ?
Cl2 O7 1.426(16) . ?
Cl2 O6 1.437(12) . ?
Cl2 O11 1.39(2) . ?
Cl2 O14 1.409(19) . ?
Cl2 O13 1.471(19) . ?
Cl2 O12 1.52(2) . ?
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
N5 Ag1 N1 C5 -103.5(8) . . . . ?
N6 Ag1 N1 C5 118.7(6) . . . . ?
N2 Ag1 N1 C5 -3.1(6) . . . . ?
N5 Ag1 N1 C1 77.8(9) . . . . ?
N6 Ag1 N1 C1 -60.0(8) . . . . ?
N2 Ag1 N1 C1 178.2(7) . . . . ?
N1 Ag1 N2 C6 3.2(6) . . . . ?
N5 Ag1 N2 C6 153.4(7) . . . . ?
N6 Ag1 N2 C6 -124.1(7) . . . . ?
N1 Ag1 N2 C7 -179.8(7) . . . . ?
N5 Ag1 N2 C7 -29.6(8) . . . . ?
N6 Ag1 N2 C7 52.9(8) . . . . ?
N8 Ag2 N3 C15 128.2(9) 2_655 . . . ?
N7 Ag2 N3 C15 -114.6(7) 2_655 . . . ?
N4 Ag2 N3 C15 7.0(7) . . . . ?
N8 Ag2 N3 C14 -60.9(12) 2_655 . . . ?
N7 Ag2 N3 C14 56.4(10) 2_655 . . . ?
N4 Ag2 N3 C14 177.9(9) . . . . ?
N3 Ag2 N4 C16 -6.2(6) . . . . ?
N8 Ag2 N4 C16 -158.5(6) 2_655 . . . ?
N7 Ag2 N4 C16 112.7(6) 2_655 . . . ?
N3 Ag2 N4 C20 177.6(9) . . . . ?
N8 Ag2 N4 C20 25.2(9) 2_655 . . . ?
N7 Ag2 N4 C20 -63.6(9) 2_655 . . . ?
C5 N1 C1 C2 -0.5(13) . . . . ?
Ag1 N1 C1 C2 178.1(7) . . . . ?
C5 N1 C1 C41 -179.2(8) . . . . ?
Ag1 N1 C1 C41 -0.6(11) . . . . ?
N1 C1 C2 C3 -1.1(15) . . . . ?
C41 C1 C2 C3 177.6(10) . . . . ?
C1 C2 C3 C4 1.4(19) . . . . ?
C2 C3 C4 C5 0(2) . . . . ?
C1 N1 C5 C4 1.8(15) . . . . ?
Ag1 N1 C5 C4 -176.9(9) . . . . ?
C1 N1 C5 C6 -178.5(8) . . . . ?
Ag1 N1 C5 C6 2.8(11) . . . . ?
C3 C4 C5 N1 -1.4(18) . . . . ?
C3 C4 C5 C6 178.8(11) . . . . ?
C7 N2 C6 C5 179.7(9) . . . . ?
Ag1 N2 C6 C5 -3.1(12) . . . . ?
N1 C5 C6 N2 0.5(15) . . . . ?
C4 C5 C6 N2 -179.7(10) . . . . ?
C6 N2 C7 C8 176.1(9) . . . . ?
Ag1 N2 C7 C8 -0.5(12) . . . . ?
C6 N2 C7 C12 -2.8(15) . . . . ?
Ag1 N2 C7 C12 -179.4(7) . . . . ?
C12 C7 C8 C9 0.1(14) . . . . ?
N2 C7 C8 C9 -178.8(8) . . . . ?
C7 C8 C9 C10 0.9(15) . . . . ?
C8 C9 C10 C11 -1.8(15) . . . . ?
C8 C9 C10 C13 -177.3(10) . . . . ?
C9 C10 C11 C12 1.7(16) . . . . ?
C13 C10 C11 C12 177.2(10) . . . . ?
C10 C11 C12 C7 -0.7(16) . . . . ?
C8 C7 C12 C11 -0.3(15) . . . . ?
N2 C7 C12 C11 178.6(9) . . . . ?
C9 C10 C13 C14 -48.5(15) . . . . ?
C11 C10 C13 C14 136.1(12) . . . . ?
C15 N3 C14 C13 -129.1(9) . . . . ?
Ag2 N3 C14 C13 60.2(11) . . . . ?
C10 C13 C14 N3 -66.1(12) . . . . ?
C14 N3 C15 C16 -179.0(9) . . . . ?
Ag2 N3 C15 C16 -7.3(12) . . . . ?
C20 N4 C16 C17 0.9(14) . . . . ?
Ag2 N4 C16 C17 -175.9(8) . . . . ?
C20 N4 C16 C15 -178.3(8) . . . . ?
Ag2 N4 C16 C15 4.9(10) . . . . ?
N3 C15 C16 N4 1.3(14) . . . . ?
N3 C15 C16 C17 -177.9(9) . . . . ?
N4 C16 C17 C18 1.1(16) . . . . ?
C15 C16 C17 C18 -179.8(10) . . . . ?
C16 C17 C18 C19 -2.3(17) . . . . ?
C17 C18 C19 C20 1.7(17) . . . . ?
C16 N4 C20 C19 -1.5(14) . . . . ?
Ag2 N4 C20 C19 174.6(6) . . . . ?
C16 N4 C20 C42 176.8(8) . . . . ?
Ag2 N4 C20 C42 -7.1(13) . . . . ?
C18 C19 C20 N4 0.3(15) . . . . ?
C18 C19 C20 C42 -177.9(10) . . . . ?
N1 Ag1 N5 C21 36.7(9) . . . . ?
N6 Ag1 N5 C21 -175.9(7) . . . . ?
N2 Ag1 N5 C21 -54.0(7) . . . . ?
N1 Ag1 N5 C25 -152.3(6) . . . . ?
N6 Ag1 N5 C25 -4.9(5) . . . . ?
N2 Ag1 N5 C25 117.0(6) . . . . ?
N1 Ag1 N6 C26 162.6(5) . . . . ?
N5 Ag1 N6 C26 2.2(5) . . . . ?
N2 Ag1 N6 C26 -100.4(6) . . . . ?
N1 Ag1 N6 C27 -16.5(7) . . . . ?
N5 Ag1 N6 C27 -177.0(6) . . . . ?
N2 Ag1 N6 C27 80.4(6) . . . . ?
C25 N5 C21 C22 0.2(13) . . . . ?
Ag1 N5 C21 C22 170.7(7) . . . . ?
C25 N5 C21 C43 -179.1(8) . . . . ?
Ag1 N5 C21 C43 -8.6(11) . . . . ?
N5 C21 C22 C23 0.0(15) . . . . ?
C43 C21 C22 C23 179.3(10) . . . . ?
C21 C22 C23 C24 -0.2(18) . . . . ?
C22 C23 C24 C25 0.2(18) . . . . ?
C21 N5 C25 C24 -0.2(13) . . . . ?
Ag1 N5 C25 C24 -171.8(8) . . . . ?
C21 N5 C25 C26 178.6(7) . . . . ?
Ag1 N5 C25 C26 7.1(9) . . . . ?
C23 C24 C25 N5 0.0(16) . . . . ?
C23 C24 C25 C26 -178.8(10) . . . . ?
C27 N6 C26 C25 180.0(7) . . . . ?
Ag1 N6 C26 C25 0.8(10) . . . . ?
N5 C25 C26 N6 -5.5(13) . . . . ?
C24 C25 C26 N6 173.4(9) . . . . ?
C26 N6 C27 C32 -156.9(8) . . . . ?
Ag1 N6 C27 C32 22.2(10) . . . . ?
C26 N6 C27 C28 25.5(12) . . . . ?
Ag1 N6 C27 C28 -155.4(6) . . . . ?
C32 C27 C28 C29 2.3(12) . . . . ?
N6 C27 C28 C29 179.9(8) . . . . ?
C27 C28 C29 C30 -0.6(13) . . . . ?
C28 C29 C30 C31 -0.9(13) . . . . ?
C28 C29 C30 C33 -179.1(8) . . . . ?
C29 C30 C31 C32 0.7(12) . . . . ?
C33 C30 C31 C32 178.8(8) . . . . ?
C30 C31 C32 C27 1.1(12) . . . . ?
C28 C27 C32 C31 -2.5(11) . . . . ?
N6 C27 C32 C31 179.8(7) . . . . ?
C29 C30 C33 C34 66.2(11) . . . . ?
C31 C30 C33 C34 -111.9(9) . . . . ?
C35 N7 C34 C33 -124.6(9) . . . . ?
Ag2 N7 C34 C33 55.0(10) 2_655 . . . ?
C30 C33 C34 N7 65.7(10) . . . . ?
C34 N7 C35 C36 -178.4(8) . . . . ?
Ag2 N7 C35 C36 1.9(11) 2_655 . . . ?
C40 N8 C36 C37 1.2(15) . . . . ?
Ag2 N8 C36 C37 -178.4(8) 2_655 . . . ?
C40 N8 C36 C35 178.8(9) . . . . ?
Ag2 N8 C36 C35 -0.8(10) 2_655 . . . ?
N7 C35 C36 N8 -0.8(14) . . . . ?
N7 C35 C36 C37 176.9(9) . . . . ?
N8 C36 C37 C38 0.3(15) . . . . ?
C35 C36 C37 C38 -177.2(9) . . . . ?
C36 C37 C38 C39 -1.0(16) . . . . ?
C37 C38 C39 C40 0.2(17) . . . . ?
C36 N8 C40 C39 -2.0(16) . . . . ?
Ag2 N8 C40 C39 177.5(8) 2_655 . . . ?
C36 N8 C40 C44 179.7(9) . . . . ?
Ag2 N8 C40 C44 -0.7(14) 2_655 . . . ?
C38 C39 C40 N8 1.3(17) . . . . ?
C38 C39 C40 C44 179.6(11) . . . . ?
