#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:57:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180162 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/58/7105816.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_7105816
loop_
_publ_author_name
'Di Sun'
'Dan-Feng Wang'
'Xi-Guang Han'
'Na Zhang'
'Rong-Bin Huang'
'Lan-Sun Zheng'
_publ_section_title
;
 Stepwise synthesis of two 3d-4d heterometallic coordination polymers
 based on a hexnuclear silver(I) metalloligand
;
_journal_name_full               Chem.Commun.
_journal_page_first              746
_journal_paper_doi               10.1039/c0cc03534c
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety
'2(C56 H38 Ag6 Cu2 N10 O14 S6), 2(C10 H14 Cu N2 O3), 46(H O0.50)'
_chemical_formula_sum            'C132 H150 Ag12 Cu6 N24 O57 S12'
_chemical_formula_weight         5045.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.901(1)
_cell_angle_beta                 93.249(1)
_cell_angle_gamma                102.625(1)
_cell_formula_units_Z            1
_cell_length_a                   12.8443(4)
_cell_length_b                   15.9047(6)
_cell_length_c                   21.8952(8)
_cell_measurement_reflns_used    24180
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.02
_cell_measurement_theta_min      6.22
_cell_volume                     4208.6(3)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC and Rigaku Corporation, 2002)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω 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  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0603
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            33055
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    2.341
_exptl_absorpt_correction_T_max  0.8919
_exptl_absorpt_correction_T_min  0.7996
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.991
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.310
_refine_diff_density_min         -1.305
_refine_diff_density_rms         0.192
_refine_ls_extinction_coef       0.00025(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1081
_refine_ls_number_reflns         14750
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0771
_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)+(0.0272P)²+111.3915P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1688
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                11513
_reflns_number_total             14750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03534C.TXT
_cod_data_source_block           p1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7105816
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.48009(7) 1.08111(6) 0.93388(4) 0.0293(2) Uani 1 1 d . . .
Ag2 Ag 0.33214(7) 0.93054(6) 0.96072(4) 0.0320(2) Uani 1 1 d . . .
Ag3 Ag 0.58460(7) 0.92827(6) 0.91684(5) 0.0328(2) Uani 1 1 d . . .
Ag4 Ag 0.97642(7) 1.06858(6) 1.42018(5) 0.0334(2) Uani 1 1 d . . .
Ag5 Ag 1.08033(8) 0.92229(6) 1.42097(5) 0.0368(2) Uani 1 1 d . . .
Ag6 Ag 0.81269(8) 0.93566(6) 1.45641(5) 0.0367(2) Uani 1 1 d . . .
Cu1 Cu -0.07946(13) 0.45031(10) 0.72759(7) 0.0364(4) Uani 1 1 d . . .
Cu2 Cu 0.24985(12) 0.64710(9) 0.60545(7) 0.0341(4) Uani 1 1 d . . .
Cu3 Cu 0.74630(13) 0.61955(9) 1.09299(7) 0.0363(4) Uani 1 1 d . . .
S1 S 0.6753(2) 1.14979(18) 0.95499(14) 0.0267(6) Uani 1 1 d . . .
S2 S 0.3997(2) 0.87393(18) 0.85878(13) 0.0255(6) Uani 1 1 d . . .
S3 S 0.6379(2) 0.85019(18) 0.99465(13) 0.0255(6) Uani 1 1 d . . .
S4 S 0.8826(2) 1.15460(19) 1.49805(14) 0.0308(6) Uani 1 1 d . . .
S5 S 1.1719(2) 1.13200(19) 1.45158(14) 0.0296(6) Uani 1 1 d . . .
S6 S 0.8960(2) 0.85459(19) 1.36599(14) 0.0283(6) Uani 1 1 d . . .
C1 C 0.7714(10) 0.9690(8) 0.8291(6) 0.036(3) Uani 1 1 d . . .
H1A H 0.7551 0.9057 0.8155 0.043 Uiso 1 1 calc R . .
C2 C 0.8488(9) 1.0183(9) 0.8009(6) 0.036(3) Uani 1 1 d . . .
H2A H 0.8875 0.9891 0.7702 0.043 Uiso 1 1 calc R . .
C3 C 0.8681(10) 1.1097(8) 0.8182(6) 0.035(3) Uani 1 1 d . . .
H3A H 0.9176 1.1441 0.7977 0.042 Uiso 1 1 calc R . .
C4 C 0.8155(9) 1.1519(8) 0.8656(6) 0.035(3) Uani 1 1 d . . .
C5 C 0.7411(8) 1.0972(6) 0.8938(5) 0.019(2) Uani 1 1 d . . .
C6 C 0.8409(11) 1.2516(9) 0.8865(7) 0.043(3) Uani 1 1 d . . .
C11 C 0.9042(9) 1.0357(9) 1.0604(6) 0.036(3) Uani 1 1 d . . .
H11A H 0.9239 1.0991 1.0715 0.043 Uiso 1 1 calc R . .
C12 C 0.9828(10) 0.9900(10) 1.0672(7) 0.046(4) Uani 1 1 d . . .
H12A H 1.0553 1.0212 1.0813 0.056 Uiso 1 1 calc R . .
C13 C 0.9534(10) 0.8987(10) 1.0531(6) 0.040(3) Uani 1 1 d . . .
H13A H 1.0056 0.8661 1.0584 0.048 Uiso 1 1 calc R . .
C14 C 0.8479(10) 0.8537(8) 1.0311(6) 0.034(3) Uani 1 1 d . . .
C15 C 0.7720(8) 0.9046(7) 1.0240(5) 0.022(2) Uani 1 1 d . . .
C16 C 0.8102(11) 0.7542(9) 1.0216(6) 0.037(3) Uani 1 1 d . . .
C21 C 0.4153(9) 1.0801(7) 0.7870(6) 0.027(2) Uani 1 1 d . . .
H21A H 0.4344 1.1430 0.8039 0.033 Uiso 1 1 calc R . .
C22 C 0.3828(9) 1.0473(7) 0.7232(6) 0.029(3) Uani 1 1 d . . .
H22A H 0.3777 1.0857 0.6965 0.035 Uiso 1 1 calc R . .
C23 C 0.3574(8) 0.9541(7) 0.6995(5) 0.025(2) Uani 1 1 d . . .
H23A H 0.3335 0.9283 0.6558 0.030 Uiso 1 1 calc R . .
C24 C 0.3667(8) 0.8993(7) 0.7391(5) 0.024(2) Uani 1 1 d . . .
C25 C 0.3966(8) 0.9404(7) 0.8040(5) 0.022(2) Uani 1 1 d . . .
C26 C 0.3505(10) 0.8002(7) 0.7082(5) 0.031(3) Uani 1 1 d . . .
C31 C 0.5931(9) 1.0019(8) 1.4388(5) 0.029(3) Uani 1 1 d . . .
H31A H 0.5620 0.9399 1.4222 0.034 Uiso 1 1 calc R . .
C32 C 0.5260(10) 1.0609(8) 1.4453(5) 0.034(3) Uani 1 1 d . . .
H32A H 0.4507 1.0396 1.4338 0.041 Uiso 1 1 calc R . .
C33 C 0.5717(10) 1.1503(8) 1.4685(6) 0.036(3) Uani 1 1 d . . .
H33A H 0.5283 1.1921 1.4715 0.043 Uiso 1 1 calc R . .
C34 C 0.6805(9) 1.1797(7) 1.4874(5) 0.026(2) Uani 1 1 d . . .
C35 C 0.7428(9) 1.1176(7) 1.4780(5) 0.027(2) Uani 1 1 d . . .
C36 C 0.7322(10) 1.2774(9) 1.5211(6) 0.036(3) Uani 1 1 d . . .
C41 C 1.2743(10) 0.9490(9) 1.3345(6) 0.042(3) Uani 1 1 d . . .
H41A H 1.2607 0.8859 1.3256 0.050 Uiso 1 1 calc R . .
C42 C 1.3482(11) 0.9921(10) 1.3031(6) 0.047(4) Uani 1 1 d . . .
H42A H 1.3844 0.9599 1.2725 0.057 Uiso 1 1 calc R . .
C43 C 1.3689(10) 1.0848(10) 1.3173(7) 0.043(3) Uani 1 1 d . . .
H43A H 1.4201 1.1166 1.2962 0.052 Uiso 1 1 calc R . .
C44 C 1.3150(9) 1.1316(8) 1.3624(6) 0.033(3) Uani 1 1 d . . .
C45 C 1.2418(9) 1.0800(9) 1.3930(6) 0.035(3) Uani 1 1 d . . .
C46 C 1.3399(12) 1.2335(11) 1.3772(11) 0.064(5) Uani 1 1 d . . .
C51 C 0.8906(9) 1.0370(7) 1.2728(5) 0.028(2) Uani 1 1 d . . .
H51A H 0.9082 1.1004 1.2834 0.033 Uiso 1 1 calc R . .
C52 C 0.8520(9) 0.9926(7) 1.2119(5) 0.029(2) Uani 1 1 d . . .
H52A H 0.8391 1.0235 1.1812 0.034 Uiso 1 1 calc R . .
C53 C 0.8318(9) 0.8990(8) 1.1961(5) 0.029(3) Uani 1 1 d . . .
H53A H 0.8050 0.8658 1.1538 0.035 Uiso 1 1 calc R . .
C54 C 0.8500(8) 0.8551(7) 1.2407(5) 0.024(2) Uani 1 1 d . . .
C55 C 0.8859(8) 0.9072(7) 1.3043(5) 0.023(2) Uani 1 1 d . . .
C56 C 0.8427(9) 0.7577(7) 1.2211(5) 0.028(2) Uani 1 1 d . . .
C61 C 0.1464(14) 0.4253(13) 0.7167(9) 0.070(5) Uani 1 1 d . . .
H61A H 0.1135 0.3636 0.7004 0.084 Uiso 1 1 calc R . .
C62 C 0.2577(15) 0.4523(15) 0.7252(9) 0.076(6) Uani 1 1 d . . .
H62A H 0.3007 0.4100 0.7181 0.092 Uiso 1 1 calc R . .
C63 C 0.3044(15) 0.5444(17) 0.7449(10) 0.090(8) Uani 1 1 d . . .
H63A H 0.3803 0.5659 0.7505 0.108 Uiso 1 1 calc R . .
C64 C 0.2400(13) 0.6022(13) 0.7558(7) 0.065(5) Uani 1 1 d . . .
H64A H 0.2704 0.6647 0.7670 0.078 Uiso 1 1 calc R . .
C65 C 0.1301(12) 0.5701(10) 0.7506(6) 0.051(4) Uani 1 1 d . . .
C66 C 0.0557(13) 0.6280(9) 0.7637(6) 0.050(4) Uani 1 1 d . . .
C67 C 0.0866(16) 0.7225(12) 0.7865(7) 0.073(6) Uani 1 1 d . . .
H67A H 0.1603 0.7533 0.7940 0.088 Uiso 1 1 calc R . .
C68 C 0.0069(19) 0.7685(12) 0.7976(8) 0.076(6) Uani 1 1 d . . .
H68A H 0.0264 0.8317 0.8126 0.091 Uiso 1 1 calc R . .
C69 C -0.0973(17) 0.7260(10) 0.7878(8) 0.068(5) Uani 1 1 d . . .
H69A H -0.1519 0.7578 0.7952 0.082 Uiso 1 1 calc R . .
C70 C -0.1220(15) 0.6340(9) 0.7664(8) 0.064(5) Uani 1 1 d . . .
H70A H -0.1957 0.6035 0.7603 0.077 Uiso 1 1 calc R . .
C71 C 0.0460(11) 0.7060(9) 0.6184(6) 0.040(3) Uani 1 1 d . . .
H71A H 0.0915 0.7645 0.6307 0.049 Uiso 1 1 calc R . .
C72 C -0.0637(11) 0.6969(10) 0.6145(7) 0.048(3) Uani 1 1 d . . .
H72A H -0.0940 0.7473 0.6237 0.057 Uiso 1 1 calc R . .
C73 C -0.1279(11) 0.6103(10) 0.5965(6) 0.046(3) Uani 1 1 d . . .
H73A H -0.2038 0.6012 0.5934 0.055 Uiso 1 1 calc R . .
C74 C -0.0845(9) 0.5396(8) 0.5836(6) 0.032(3) Uani 1 1 d . . .
H74A H -0.1291 0.4808 0.5715 0.039 Uiso 1 1 calc R . .
C75 C 0.0271(9) 0.5533(7) 0.5880(5) 0.028(2) Uani 1 1 d . . .
C76 C 0.0856(9) 0.4826(8) 0.5749(5) 0.030(3) Uani 1 1 d . . .
C77 C 0.0349(10) 0.3926(8) 0.5604(6) 0.038(3) Uani 1 1 d . . .
H77A H -0.0409 0.3733 0.5585 0.045 Uiso 1 1 calc R . .
C78 C 0.1005(11) 0.3301(8) 0.5484(7) 0.045(4) Uani 1 1 d . . .
H78A H 0.0689 0.2679 0.5385 0.054 Uiso 1 1 calc R . .
C79 C 0.2084(11) 0.3601(9) 0.5512(8) 0.059(5) Uani 1 1 d . . .
H79A H 0.2532 0.3193 0.5429 0.070 Uiso 1 1 calc R . .
C80 C 0.2524(11) 0.4515(8) 0.5664(7) 0.044(3) Uani 1 1 d . . .
H80A H 0.3279 0.4717 0.5676 0.053 Uiso 1 1 calc R . .
C81 C 0.7511(11) 0.4286(8) 1.0905(7) 0.043(3) Uani 1 1 d . . .
H81A H 0.8270 0.4480 1.0936 0.052 Uiso 1 1 calc R . .
C82 C 0.7075(12) 0.3408(9) 1.0864(7) 0.049(4) Uani 1 1 d . . .
H82A H 0.7521 0.3010 1.0884 0.058 Uiso 1 1 calc R . .
C83 C 0.5985(12) 0.3117(8) 1.0793(6) 0.045(3) Uani 1 1 d . . .
H83A H 0.5657 0.2508 1.0753 0.054 Uiso 1 1 calc R . .
C84 C 0.5369(10) 0.3717(8) 1.0779(6) 0.038(3) Uani 1 1 d . . .
H84A H 0.4608 0.3523 1.0727 0.046 Uiso 1 1 calc R . .
C85 C 0.5860(10) 0.4610(7) 1.0841(6) 0.034(3) Uani 1 1 d . . .
C86 C 0.5269(10) 0.5311(8) 1.0820(5) 0.033(3) Uani 1 1 d . . .
C87 C 0.4159(10) 0.5148(9) 1.0793(6) 0.041(3) Uani 1 1 d . . .
H87A H 0.3731 0.4567 1.0762 0.049 Uiso 1 1 calc R . .
C88 C 0.3686(12) 0.5881(11) 1.0813(8) 0.057(4) Uani 1 1 d . . .
H88A H 0.2930 0.5799 1.0804 0.068 Uiso 1 1 calc R . .
C89 C 0.4314(12) 0.6697(10) 1.0846(8) 0.056(4) Uani 1 1 d . . .
H89A H 0.4005 0.7190 1.0856 0.067 Uiso 1 1 calc R . .
C90 C 0.5406(13) 0.6801(9) 1.0865(7) 0.051(4) Uani 1 1 d . . .
H90A H 0.5845 0.7375 1.0890 0.061 Uiso 1 1 calc R . .
N1 N 0.4217(7) 1.0286(6) 0.8272(4) 0.028(2) Uani 1 1 d . . .
N2 N 0.8023(8) 0.9943(6) 1.0391(5) 0.031(2) Uani 1 1 d . . .
N3 N 0.7200(8) 1.0079(6) 0.8744(4) 0.030(2) Uani 1 1 d . . .
N4 N 0.6995(8) 1.0290(6) 1.4552(4) 0.029(2) Uani 1 1 d . . .
N5 N 1.2199(7) 0.9911(7) 1.3771(5) 0.033(2) Uani 1 1 d . . .
N6 N 0.9057(7) 0.9967(6) 1.3194(4) 0.0239(19) Uani 1 1 d . . .
N7 N 0.0845(9) 0.4811(9) 0.7300(5) 0.049(3) Uani 1 1 d . . .
N8 N -0.0502(10) 0.5851(7) 0.7537(5) 0.047(3) Uani 1 1 d . . .
N9 N 0.0910(7) 0.6375(6) 0.6058(4) 0.029(2) Uani 1 1 d . . .
N10 N 0.1942(8) 0.5127(6) 0.5793(5) 0.031(2) Uani 1 1 d . . .
N11 N 0.6930(8) 0.4889(6) 1.0904(5) 0.031(2) Uani 1 1 d . . .
N12 N 0.5879(9) 0.6119(6) 1.0848(5) 0.037(2) Uani 1 1 d . . .
O1 O 0.8117(8) 1.2918(6) 0.8496(6) 0.060(3) Uani 1 1 d . . .
O1W O 0.4416(17) 1.5075(10) 1.2393(8) 0.147(8) Uani 1 1 d . . .
H1WA H 0.4085 1.4688 1.2061 0.176 Uiso 1 1 d R . .
H1WB H 0.4672 1.5560 1.2296 0.176 Uiso 1 1 d R . .
O2 O 0.8965(10) 1.2870(7) 0.9382(5) 0.073(4) Uani 1 1 d . . .
O2W O 1.3800(14) 1.4421(10) 1.3458(9) 0.130(7) Uani 1 1 d . . .
H2WA H 1.3643 1.3854 1.3375 0.155 Uiso 1 1 d R . .
H2WB H 1.3979 1.4572 1.3124 0.155 Uiso 1 1 d R . .
O3 O 0.2775(7) 0.7689(5) 0.6613(4) 0.040(2) Uani 1 1 d . . .
O3W O 1.405(2) 1.5472(17) 1.4587(12) 0.192(10) Uiso 1 1 d . . .
H3WA H 1.3944 1.5120 1.4218 0.230 Uiso 1 1 d R . .
H3WB H 1.4535 1.5930 1.4590 0.230 Uiso 1 1 d R . .
O4 O 0.4094(7) 0.7602(5) 0.7289(4) 0.038(2) Uani 1 1 d . . .
O4W O 1.4398(16) 1.3123(13) 1.5450(10) 0.146(7) Uiso 1 1 d . . .
H4WA H 1.4108 1.2883 1.5072 0.176 Uiso 1 1 d R . .
H4WB H 1.4194 1.2765 1.5676 0.176 Uiso 1 1 d R . .
O5 O 0.8122(16) 0.7014(8) 0.9718(6) 0.111(6) Uani 1 1 d . . .
O5W O 0.596(3) 0.772(2) 1.3710(16) 0.269(16) Uiso 1 1 d . . .
H5WA H 0.5385 0.7889 1.3776 0.323 Uiso 1 1 d R . .
H5WB H 0.5909 0.7439 1.3323 0.323 Uiso 1 1 d R . .
O6 O 0.7766(9) 0.7323(6) 1.0686(5) 0.056(3) Uani 1 1 d . . .
O6W O 0.5502(11) 0.6828(10) 1.2436(7) 0.094(4) Uani 1 1 d . . .
H6WA H 0.6014 0.7001 1.2231 0.113 Uiso 1 1 d R . .
H6WB H 0.4983 0.7052 1.2355 0.113 Uiso 1 1 d R . .
O7 O 0.7502(9) 1.3339(6) 1.4911(4) 0.059(3) Uani 1 1 d . . .
O7W O 0.6538(12) 1.2745(10) 0.7557(6) 0.103(5) Uani 1 1 d . . .
H7WA H 0.7092 1.2700 0.7766 0.123 Uiso 1 1 d R . .
H7WB H 0.6495 1.2435 0.7178 0.123 Uiso 1 1 d R . .
O8W O 0.4129(18) 0.8049(16) 1.3688(11) 0.175(9) Uiso 1 1 d . . .
H8WA H 0.4172 0.8607 1.3779 0.210 Uiso 1 1 d R . .
H8WB H 0.3741 0.7809 1.3932 0.210 Uiso 1 1 d R . .
O8 O 0.7535(9) 1.2942(6) 1.5798(4) 0.055(3) Uani 1 1 d . . .
O9W O 0.8996(8) 0.6183(7) 1.1012(6) 0.065(3) Uani 1 1 d . . .
H9WB H 0.9296 0.6387 1.0724 0.078 Uiso 1 1 d R . .
H9WA H 0.9294 0.6505 1.1374 0.098 Uiso 1 1 d R . .
O9 O 1.3788(11) 1.2736(8) 1.4329(8) 0.093(5) Uani 1 1 d . . .
O10W O 0.3224(10) 1.3507(9) 1.1536(6) 0.085(4) Uani 1 1 d . . .
H10A H 0.3386 1.3090 1.1674 0.102 Uiso 1 1 d R . .
H10B H 0.2844 1.3279 1.1180 0.102 Uiso 1 1 d R . .
O10 O 1.3246(11) 1.2632(9) 1.3301(7) 0.088(5) Uani 1 1 d . . .
O11 O 0.9307(7) 0.7332(5) 1.2248(4) 0.0352(19) Uani 1 1 d . . .
O11W O 0.915(2) 1.4653(11) 0.9914(9) 0.073(8) Uani 0.50 1 d P . .
H11C H 0.9802 1.4932 0.9979 0.088 Uiso 0.50 1 d PR . .
H11B H 0.9094 1.4102 0.9748 0.088 Uiso 0.50 1 d PR . .
O12 O 0.7546(7) 0.7063(5) 1.1948(4) 0.037(2) Uani 1 1 d . . .
O12W O 0.9235(12) 1.2517(10) 1.0578(7) 0.102(5) Uani 1 1 d . . .
H12B H 0.9139 1.2621 1.0219 0.122 Uiso 1 1 d R . .
H12C H 0.9843 1.2826 1.0769 0.152 Uiso 1 1 d R . .
O13W O 0.4034(9) 0.6437(8) 0.6082(7) 0.094(5) Uani 1 1 d . . .
H13B H 0.4312 0.6774 0.6443 0.113 Uiso 1 1 d R . .
H13C H 0.4377 0.6676 0.5821 0.113 Uiso 1 1 d R . .
O14W O -0.1032(9) 0.3153(6) 0.7026(5) 0.059(3) Uani 1 1 d . . .
H14B H -0.1000 0.2974 0.6630 0.071 Uiso 1 1 d R . .
H14A H -0.0550 0.3006 0.7231 0.088 Uiso 1 1 d R . .
O15W O 1.3911(9) 1.2360(7) 1.2113(5) 0.067(3) Uani 1 1 d . . .
H15A H 1.3593 1.2440 1.2445 0.080 Uiso 1 1 d R . .
H15B H 1.4554 1.2355 1.2222 0.080 Uiso 1 1 d R . .
O16W O -0.0852(10) 0.4486(7) 0.8275(5) 0.064(3) Uani 1 1 d . . .
H16B H -0.1179 0.4871 0.8454 0.076 Uiso 1 1 d R . .
H16A H -0.1180 0.3970 0.8296 0.095 Uiso 1 1 d R . .
O17W O -0.2345(8) 0.4306(7) 0.6929(6) 0.066(3) Uani 1 1 d . . .
H17B H -0.2452 0.4789 0.6866 0.079 Uiso 1 1 d R . .
H17A H -0.2482 0.3901 0.6582 0.099 Uiso 1 1 d 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'
Cu Cu 0.3201 1.2651 '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
N1 Ag1 S3 118.7(3) . 2_677 ?
N1 Ag1 S1 112.5(2) . . ?
S3 Ag1 S1 117.61(10) 2_677 . ?
N1 Ag1 Ag2 91.2(2) . . ?
S3 Ag1 Ag2 75.47(7) 2_677 . ?
S1 Ag1 Ag2 136.85(7) . . ?
N1 Ag1 Ag3 86.1(2) . . ?
S3 Ag1 Ag3 138.69(7) 2_677 . ?
S1 Ag1 Ag3 74.79(7) . . ?
Ag2 Ag1 Ag3 71.31(3) . . ?
N1 Ag1 Ag2 140.3(2) . 2_677 ?
S3 Ag1 Ag2 100.10(7) 2_677 2_677 ?
S1 Ag1 Ag2 48.16(7) . 2_677 ?
Ag2 Ag1 Ag2 90.45(3) . 2_677 ?
Ag3 Ag1 Ag2 57.04(3) . 2_677 ?
N2 Ag2 S2 118.5(2) 2_677 . ?
N2 Ag2 S1 112.2(2) 2_677 2_677 ?
S2 Ag2 S1 121.59(10) . 2_677 ?
N2 Ag2 Ag1 89.2(2) 2_677 . ?
S2 Ag2 Ag1 72.69(7) . . ?
S1 Ag2 Ag1 135.87(8) 2_677 . ?
N2 Ag2 Ag3 82.5(2) 2_677 2_677 ?
S2 Ag2 Ag3 137.42(7) . 2_677 ?
S1 Ag2 Ag3 74.08(7) 2_677 2_677 ?
Ag1 Ag2 Ag3 71.01(3) . 2_677 ?
N2 Ag2 Ag1 136.3(2) 2_677 2_677 ?
S2 Ag2 Ag1 102.62(7) . 2_677 ?
S1 Ag2 Ag1 48.04(7) 2_677 2_677 ?
Ag1 Ag2 Ag1 89.55(3) . 2_677 ?
Ag3 Ag2 Ag1 56.04(3) 2_677 2_677 ?
N3 Ag3 S3 117.2(2) . . ?
N3 Ag3 S2 120.0(2) . . ?
S3 Ag3 S2 118.71(9) . . ?
N3 Ag3 Ag1 88.6(2) . . ?
S3 Ag3 Ag1 130.37(8) . . ?
S2 Ag3 Ag1 71.24(7) . . ?
N3 Ag3 Ag2 85.5(2) . 2_677 ?
S3 Ag3 Ag2 73.43(7) . 2_677 ?
S2 Ag3 Ag2 129.96(8) . 2_677 ?
Ag1 Ag3 Ag2 66.92(3) . 2_677 ?
N6 Ag4 S4 124.2(2) . . ?
N6 Ag4 S5 123.0(2) . . ?
S4 Ag4 S5 107.06(10) . . ?
N6 Ag4 Ag5 88.1(2) . . ?
S4 Ag4 Ag5 133.42(8) . . ?
S5 Ag4 Ag5 71.34(7) . . ?
N6 Ag4 Ag6 85.6(2) . . ?
S4 Ag4 Ag6 74.49(7) . . ?
S5 Ag4 Ag6 134.77(8) . . ?
Ag5 Ag4 Ag6 76.04(3) . . ?
N5 Ag5 S4 119.1(3) . 2_778 ?
N5 Ag5 S6 124.8(3) . . ?
S4 Ag5 S6 110.00(10) 2_778 . ?
N5 Ag5 Ag4 89.6(3) . . ?
S4 Ag5 Ag4 133.59(9) 2_778 . ?
S6 Ag5 Ag4 72.86(7) . . ?
N5 Ag5 Ag6 83.8(2) . 2_778 ?
S4 Ag5 Ag6 71.58(8) 2_778 2_778 ?
S6 Ag5 Ag6 137.32(8) . 2_778 ?
Ag4 Ag5 Ag6 76.88(3) . 2_778 ?
N4 Ag6 S5 120.1(2) . 2_778 ?
N4 Ag6 S6 129.0(2) . . ?
S5 Ag6 S6 109.03(10) 2_778 . ?
N4 Ag6 Ag4 87.2(2) . . ?
S5 Ag6 Ag4 127.73(8) 2_778 . ?
S6 Ag6 Ag4 72.33(7) . . ?
N4 Ag6 Ag5 83.2(2) . 2_778 ?
S5 Ag6 Ag5 68.17(7) 2_778 2_778 ?
S6 Ag6 Ag5 130.07(8) . 2_778 ?
Ag4 Ag6 Ag5 72.79(3) . 2_778 ?
O17W Cu1 N8 95.3(5) . . ?
O17W Cu1 O14W 86.8(4) . . ?
N8 Cu1 O14W 177.9(5) . . ?
O17W Cu1 N7 158.0(5) . . ?
N8 Cu1 N7 80.6(5) . . ?
O14W Cu1 N7 97.5(5) . . ?
O17W Cu1 O16W 104.6(5) . . ?
N8 Cu1 O16W 89.6(4) . . ?
O14W Cu1 O16W 89.9(4) . . ?
N7 Cu1 O16W 97.0(4) . . ?
O3 Cu2 O13W 94.6(4) . . ?
O3 Cu2 N9 89.3(4) . . ?
O13W Cu2 N9 173.5(5) . . ?
O3 Cu2 N10 156.8(4) . . ?
O13W Cu2 N10 94.7(5) . . ?
N9 Cu2 N10 79.8(4) . . ?
O3 Cu2 O7 104.4(4) . 2_677 ?
O13W Cu2 O7 90.9(6) . 2_677 ?
N9 Cu2 O7 93.2(4) . 2_677 ?
N10 Cu2 O7 96.7(4) . 2_677 ?
O6 Cu3 O9W 92.4(5) . . ?
O6 Cu3 N12 91.5(4) . . ?
O9W Cu3 N12 176.0(4) . . ?
O6 Cu3 N11 162.3(4) . . ?
O9W Cu3 N11 94.7(4) . . ?
N12 Cu3 N11 81.4(4) . . ?
O6 Cu3 O12 85.7(4) . . ?
O9W Cu3 O12 93.9(4) . . ?
N12 Cu3 O12 87.4(4) . . ?
N11 Cu3 O12 109.9(4) . . ?
C5 S1 Ag1 109.5(4) . . ?
C5 S1 Ag2 108.7(3) . 2_677 ?
Ag1 S1 Ag2 83.80(9) . 2_677 ?
C25 S2 Ag2 114.7(4) . . ?
C25 S2 Ag3 105.0(3) . . ?
Ag2 S2 Ag3 87.45(9) . . ?
C15 S3 Ag1 108.5(4) . 2_677 ?
C15 S3 Ag3 105.7(3) . . ?
Ag1 S3 Ag3 88.17(9) 2_677 . ?
C35 S4 Ag4 110.6(4) . . ?
C35 S4 Ag5 103.6(4) . 2_778 ?
Ag4 S4 Ag5 92.89(11) . 2_778 ?
C45 S5 Ag4 108.6(4) . . ?
C45 S5 Ag6 107.0(4) . 2_778 ?
Ag4 S5 Ag6 96.79(10) . 2_778 ?
C55 S6 Ag5 105.1(4) . . ?
C55 S6 Ag6 106.6(4) . . ?
Ag5 S6 Ag6 92.35(10) . . ?
N3 C1 C2 121.9(11) . . ?
N3 C1 H1A 119.0 . . ?
C2 C1 H1A 119.0 . . ?
C3 C2 C1 118.9(12) . . ?
C3 C2 H2A 120.6 . . ?
C1 C2 H2A 120.6 . . ?
C2 C3 C4 120.1(12) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 C5 117.6(11) . . ?
C3 C4 C6 119.8(11) . . ?
C5 C4 C6 122.6(11) . . ?
N3 C5 C4 121.4(10) . . ?
N3 C5 S1 120.5(8) . . ?
C4 C5 S1 118.1(8) . . ?
O1 C6 O2 125.3(13) . . ?
O1 C6 C4 118.1(13) . . ?
O2 C6 C4 116.4(13) . . ?
N2 C11 C12 122.5(12) . . ?
N2 C11 H11A 118.7 . . ?
C12 C11 H11A 118.7 . . ?
C13 C12 C11 118.6(12) . . ?
C13 C12 H12A 120.7 . . ?
C11 C12 H12A 120.7 . . ?
C12 C13 C14 120.2(11) . . ?
C12 C13 H13A 119.9 . . ?
C14 C13 H13A 119.9 . . ?
C13 C14 C15 118.3(11) . . ?
C13 C14 C16 121.6(11) . . ?
C15 C14 C16 119.8(10) . . ?
N2 C15 C14 120.5(10) . . ?
N2 C15 S3 119.7(7) . . ?
C14 C15 S3 119.8(9) . . ?
O5 C16 O6 123.7(14) . . ?
O5 C16 C14 122.4(13) . . ?
O6 C16 C14 113.9(11) . . ?
N1 C21 C22 124.1(10) . . ?
N1 C21 H21A 117.9 . . ?
C22 C21 H21A 117.9 . . ?
C21 C22 C23 116.5(10) . . ?
C21 C22 H22A 121.7 . . ?
C23 C22 H22A 121.7 . . ?
C24 C23 C22 120.9(10) . . ?
C24 C23 H23A 119.5 . . ?
C22 C23 H23A 119.5 . . ?
C23 C24 C25 117.3(10) . . ?
C23 C24 C26 117.3(10) . . ?
C25 C24 C26 125.3(10) . . ?
N1 C25 C24 122.5(10) . . ?
N1 C25 S2 117.5(8) . . ?
C24 C25 S2 120.0(8) . . ?
O4 C26 O3 127.2(11) . . ?
O4 C26 C24 118.0(10) . . ?
O3 C26 C24 114.7(10) . . ?
N4 C31 C32 122.8(11) . . ?
N4 C31 H31A 118.6 . . ?
C32 C31 H31A 118.6 . . ?
C33 C32 C31 118.3(11) . . ?
C33 C32 H32A 120.9 . . ?
C31 C32 H32A 120.9 . . ?
C32 C33 C34 120.1(11) . . ?
C32 C33 H33A 120.0 . . ?
C34 C33 H33A 120.0 . . ?
C33 C34 C35 118.5(10) . . ?
C33 C34 C36 121.5(10) . . ?
C35 C34 C36 119.9(10) . . ?
N4 C35 C34 122.3(10) . . ?
N4 C35 S4 118.6(9) . . ?
C34 C35 S4 119.0(8) . . ?
O7 C36 O8 123.7(12) . . ?
O7 C36 C34 120.7(11) . . ?
O8 C36 C34 115.6(11) . . ?
N5 C41 C42 123.3(13) . . ?
N5 C41 H41A 118.3 . . ?
C42 C41 H41A 118.3 . . ?
C41 C42 C43 117.9(13) . . ?
C41 C42 H42A 121.0 . . ?
C43 C42 H42A 121.0 . . ?
C42 C43 C44 120.5(13) . . ?
C42 C43 H43A 119.7 . . ?
C44 C43 H43A 119.7 . . ?
C43 C44 C45 116.6(12) . . ?
C43 C44 C46 119.4(12) . . ?
C45 C44 C46 124.0(12) . . ?
N5 C45 C44 122.0(12) . . ?
N5 C45 S5 117.5(9) . . ?
C44 C45 S5 120.4(10) . . ?
O9 C46 O10 130.4(17) . . ?
O9 C46 C44 115.1(16) . . ?
O10 C46 C44 114.3(18) . . ?
N6 C51 C52 124.2(10) . . ?
N6 C51 H51A 117.9 . . ?
C52 C51 H51A 117.9 . . ?
C51 C52 C53 117.3(10) . . ?
C51 C52 H52A 121.3 . . ?
C53 C52 H52A 121.3 . . ?
C54 C53 C52 120.9(11) . . ?
C54 C53 H53A 119.5 . . ?
C52 C53 H53A 119.5 . . ?
C53 C54 C55 117.8(10) . . ?
C53 C54 C56 119.7(10) . . ?
C55 C54 C56 122.2(9) . . ?
N6 C55 C54 121.3(10) . . ?
N6 C55 S6 118.2(8) . . ?
C54 C55 S6 120.3(8) . . ?
O12 C56 O11 124.0(11) . . ?
O12 C56 C54 118.6(10) . . ?
O11 C56 C54 116.8(10) . . ?
N7 C61 C62 123.0(19) . . ?
N7 C61 H61A 118.5 . . ?
C62 C61 H61A 118.5 . . ?
C61 C62 C63 117.5(19) . . ?
C61 C62 H62A 121.3 . . ?
C63 C62 H62A 121.3 . . ?
C64 C63 C62 119.3(17) . . ?
C64 C63 H63A 120.4 . . ?
C62 C63 H63A 120.4 . . ?
C63 C64 C65 119.8(18) . . ?
C63 C64 H64A 120.1 . . ?
C65 C64 H64A 120.1 . . ?
N7 C65 C64 120.9(17) . . ?
N7 C65 C66 115.9(13) . . ?
C64 C65 C66 123.1(15) . . ?
N8 C66 C67 119.9(16) . . ?
N8 C66 C65 115.2(12) . . ?
C67 C66 C65 124.9(16) . . ?
C68 C67 C66 118.4(17) . . ?
C68 C67 H67A 120.8 . . ?
C66 C67 H67A 120.8 . . ?
C69 C68 C67 121.5(17) . . ?
C69 C68 H68A 119.2 . . ?
C67 C68 H68A 119.2 . . ?
C68 C69 C70 117.3(19) . . ?
C68 C69 H69A 121.3 . . ?
C70 C69 H69A 121.3 . . ?
N8 C70 C69 124.8(17) . . ?
N8 C70 H70A 117.6 . . ?
C69 C70 H70A 117.6 . . ?
N9 C71 C72 123.2(13) . . ?
N9 C71 H71A 118.4 . . ?
C72 C71 H71A 118.4 . . ?
C71 C72 C73 116.9(13) . . ?
C71 C72 H72A 121.6 . . ?
C73 C72 H72A 121.6 . . ?
C74 C73 C72 121.2(13) . . ?
C74 C73 H73A 119.4 . . ?
C72 C73 H73A 119.4 . . ?
C73 C74 C75 119.2(11) . . ?
C73 C74 H74A 120.4 . . ?
C75 C74 H74A 120.4 . . ?
N9 C75 C74 120.3(10) . . ?
N9 C75 C76 114.4(10) . . ?
C74 C75 C76 125.3(10) . . ?
N10 C76 C77 122.8(11) . . ?
N10 C76 C75 114.3(10) . . ?
C77 C76 C75 122.9(11) . . ?
C76 C77 C78 117.7(12) . . ?
C76 C77 H77A 121.2 . . ?
C78 C77 H77A 121.2 . . ?
C79 C78 C77 119.5(11) . . ?
C79 C78 H78A 120.2 . . ?
C77 C78 H78A 120.2 . . ?
C78 C79 C80 118.9(12) . . ?
C78 C79 H79A 120.6 . . ?
C80 C79 H79A 120.6 . . ?
N10 C80 C79 123.7(12) . . ?
N10 C80 H80A 118.1 . . ?
C79 C80 H80A 118.1 . . ?
N11 C81 C82 123.8(13) . . ?
N11 C81 H81A 118.1 . . ?
C82 C81 H81A 118.1 . . ?
C83 C82 C81 118.5(12) . . ?
C83 C82 H82A 120.8 . . ?
C81 C82 H82A 120.8 . . ?
C82 C83 C84 119.0(12) . . ?
C82 C83 H83A 120.5 . . ?
C84 C83 H83A 120.5 . . ?
C83 C84 C85 119.9(12) . . ?
C83 C84 H84A 120.0 . . ?
C85 C84 H84A 120.0 . . ?
N11 C85 C84 120.7(10) . . ?
N11 C85 C86 115.0(10) . . ?
C84 C85 C86 124.3(12) . . ?
N12 C86 C87 121.9(11) . . ?
N12 C86 C85 115.6(11) . . ?
C87 C86 C85 122.5(11) . . ?
C86 C87 C88 117.5(13) . . ?
C86 C87 H87A 121.2 . . ?
C88 C87 H87A 121.2 . . ?
C89 C88 C87 120.0(13) . . ?
C89 C88 H88A 120.0 . . ?
C87 C88 H88A 120.0 . . ?
C88 C89 C90 118.9(12) . . ?
C88 C89 H89A 120.5 . . ?
C90 C89 H89A 120.5 . . ?
N12 C90 C89 122.5(13) . . ?
N12 C90 H90A 118.7 . . ?
C89 C90 H90A 118.7 . . ?
C25 N1 C21 118.5(9) . . ?
C25 N1 Ag1 116.3(7) . . ?
C21 N1 Ag1 125.1(7) . . ?
C11 N2 C15 119.9(10) . . ?
C11 N2 Ag2 122.6(8) . 2_677 ?
C15 N2 Ag2 117.0(7) . 2_677 ?
C1 N3 C5 120.0(10) . . ?
C1 N3 Ag3 122.4(8) . . ?
C5 N3 Ag3 117.4(7) . . ?
C31 N4 C35 117.9(10) . . ?
C31 N4 Ag6 124.8(7) . . ?
C35 N4 Ag6 117.0(8) . . ?
C45 N5 C41 119.4(11) . . ?
C45 N5 Ag5 115.6(8) . . ?
C41 N5 Ag5 124.8(9) . . ?
C55 N6 C51 118.4(9) . . ?
C55 N6 Ag4 116.3(7) . . ?
C51 N6 Ag4 125.0(7) . . ?
C61 N7 C65 119.3(14) . . ?
C61 N7 Cu1 127.3(12) . . ?
C65 N7 Cu1 113.4(11) . . ?
C70 N8 C66 118.1(13) . . ?
C70 N8 Cu1 127.0(10) . . ?
C66 N8 Cu1 114.7(10) . . ?
C71 N9 C75 119.2(11) . . ?
C71 N9 Cu2 124.8(8) . . ?
C75 N9 Cu2 115.9(8) . . ?
C80 N10 C76 117.4(10) . . ?
C80 N10 Cu2 127.2(8) . . ?
C76 N10 Cu2 115.4(8) . . ?
C85 N11 C81 118.0(10) . . ?
C85 N11 Cu3 113.9(7) . . ?
C81 N11 Cu3 127.9(9) . . ?
C86 N12 C90 119.2(12) . . ?
C86 N12 Cu3 114.2(8) . . ?
C90 N12 Cu3 126.5(9) . . ?
H1WA O1W H1WB 108.9 . . ?
H2WA O2W H2WB 108.5 . . ?
C26 O3 Cu2 124.0(8) . . ?
H3WA O3W H3WB 108.3 . . ?
H4WA O4W H4WB 108.8 . . ?
H5WA O5W H5WB 108.1 . . ?
C16 O6 Cu3 133.6(9) . . ?
H6WA O6W H6WB 108.9 . . ?
C36 O7 Cu2 143.6(9) . 2_677 ?
H7WA O7W H7WB 108.9 . . ?
H8WA O8W H8WB 110.2 . . ?
Cu3 O9W H9WB 109.2 . . ?
Cu3 O9W H9WA 109.4 . . ?
H9WB O9W H9WA 109.8 . . ?
H10A O10W H10B 108.7 . . ?
H11C O11W H11B 109.5 . . ?
C56 O12 Cu3 118.9(7) . . ?
H12B O12W H12C 109.8 . . ?
Cu2 O13W H13B 104.1 . . ?
Cu2 O13W H13C 114.8 . . ?
H13B O13W H13C 104.3 . . ?
Cu1 O14W H14B 109.4 . . ?
Cu1 O14W H14A 109.3 . . ?
H14B O14W H14A 109.8 . . ?
H15A O15W H15B 108.0 . . ?
Cu1 O16W H16B 109.2 . . ?
Cu1 O16W H16A 109.6 . . ?
H16B O16W H16A 109.8 . . ?
Cu1 O17W H17B 109.5 . . ?
Cu1 O17W H17A 109.4 . . ?
H17B O17W H17A 109.8 . . ?
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 2.303(9) . ?
Ag1 S3 2.472(3) 2_677 ?
Ag1 S1 2.475(3) . ?
Ag1 Ag2 2.9164(12) . ?
Ag1 Ag3 2.9829(12) . ?
Ag1 Ag2 3.3087(12) 2_677 ?
Ag2 N2 2.305(10) 2_677 ?
Ag2 S2 2.478(3) . ?
Ag2 S1 2.479(3) 2_677 ?
Ag2 Ag3 3.0177(13) 2_677 ?
Ag2 Ag1 3.3087(12) 2_677 ?
Ag3 N3 2.297(10) . ?
Ag3 S3 2.483(3) . ?
Ag3 S2 2.498(3) . ?
Ag3 Ag2 3.0177(13) 2_677 ?
Ag4 N6 2.260(9) . ?
Ag4 S4 2.462(3) . ?
Ag4 S5 2.481(3) . ?
Ag4 Ag5 2.9273(13) . ?
Ag4 Ag6 2.9278(13) . ?
Ag5 N5 2.275(10) . ?
Ag5 S4 2.463(3) 2_778 ?
Ag5 S6 2.480(3) . ?
Ag5 Ag6 3.0840(14) 2_778 ?
Ag6 N4 2.297(10) . ?
Ag6 S5 2.519(3) 2_778 ?
Ag6 S6 2.519(3) . ?
Ag6 Ag5 3.0840(14) 2_778 ?
Cu1 O17W 2.020(11) . ?
Cu1 N8 2.025(11) . ?
Cu1 O14W 2.034(10) . ?
Cu1 N7 2.050(12) . ?
Cu1 O16W 2.199(10) . ?
Cu2 O3 1.971(8) . ?
Cu2 O13W 1.982(12) . ?
Cu2 N9 2.013(10) . ?
Cu2 N10 2.026(9) . ?
Cu2 O7 2.207(10) 2_677 ?
Cu3 O6 1.958(9) . ?
Cu3 O9W 1.972(11) . ?
Cu3 N12 2.007(11) . ?
Cu3 N11 2.026(9) . ?
Cu3 O12 2.305(9) . ?
S1 C5 1.762(10) . ?
S1 Ag2 2.479(3) 2_677 ?
S2 C25 1.784(11) . ?
S3 C15 1.757(11) . ?
S3 Ag1 2.472(3) 2_677 ?
S4 C35 1.758(12) . ?
S4 Ag5 2.463(3) 2_778 ?
S5 C45 1.755(14) . ?
S5 Ag6 2.519(3) 2_778 ?
S6 C55 1.764(11) . ?
C1 N3 1.327(16) . ?
C1 C2 1.396(18) . ?
C1 H1A 0.9500 . ?
C2 C3 1.374(17) . ?
C2 H2A 0.9500 . ?
C3 C4 1.389(17) . ?
C3 H3A 0.9500 . ?
C4 C5 1.419(15) . ?
C4 C6 1.495(18) . ?
C5 N3 1.342(13) . ?
C6 O1 1.234(17) . ?
C6 O2 1.240(17) . ?
C11 N2 1.331(15) . ?
C11 C12 1.388(18) . ?
C11 H11A 0.9500 . ?
C12 C13 1.370(19) . ?
C12 H12A 0.9500 . ?
C13 C14 1.384(18) . ?
C13 H13A 0.9500 . ?
C14 C15 1.420(15) . ?
C14 C16 1.510(18) . ?
C15 N2 1.345(14) . ?
C16 O5 1.210(16) . ?
C16 O6 1.235(15) . ?
C21 N1 1.349(14) . ?
C21 C22 1.374(16) . ?
C21 H21A 0.9500 . ?
C22 C23 1.405(16) . ?
C22 H22A 0.9500 . ?
C23 C24 1.387(15) . ?
C23 H23A 0.9500 . ?
C24 C25 1.405(15) . ?
C24 C26 1.521(15) . ?
C25 N1 1.332(13) . ?
C26 O4 1.221(14) . ?
C26 O3 1.275(14) . ?
C31 N4 1.340(14) . ?
C31 C32 1.395(17) . ?
C31 H31A 0.9500 . ?
C32 C33 1.372(17) . ?
C32 H32A 0.9500 . ?
C33 C34 1.378(17) . ?
C33 H33A 0.9500 . ?
C34 C35 1.387(16) . ?
C34 C36 1.531(16) . ?
C35 N4 1.353(14) . ?
C36 O7 1.224(15) . ?
C36 O8 1.251(15) . ?
C41 N5 1.337(16) . ?
C41 C42 1.36(2) . ?
C41 H41A 0.9500 . ?
C42 C43 1.39(2) . ?
C42 H42A 0.9500 . ?
C43 C44 1.399(18) . ?
C43 H43A 0.9500 . ?
C44 C45 1.416(17) . ?
C44 C46 1.53(2) . ?
C45 N5 1.333(16) . ?
C46 O9 1.25(2) . ?
C46 O10 1.25(2) . ?
C51 N6 1.356(14) . ?
C51 C52 1.357(16) . ?
C51 H51A 0.9500 . ?
C52 C53 1.406(16) . ?
C52 H52A 0.9500 . ?
C53 C54 1.368(15) . ?
C53 H53A 0.9500 . ?
C54 C55 1.430(15) . ?
C54 C56 1.484(15) . ?
C55 N6 1.345(13) . ?
C56 O12 1.255(14) . ?
C56 O11 1.279(13) . ?
C61 N7 1.31(2) . ?
C61 C62 1.39(2) . ?
C61 H61A 0.9500 . ?
C62 C63 1.41(3) . ?
C62 H62A 0.9500 . ?
C63 C64 1.36(3) . ?
C63 H63A 0.9500 . ?
C64 C65 1.38(2) . ?
C64 H64A 0.9500 . ?
C65 N7 1.361(18) . ?
C65 C66 1.46(2) . ?
C66 N8 1.360(19) . ?
C66 C67 1.42(2) . ?
C67 C68 1.38(3) . ?
C67 H67A 0.9500 . ?
C68 C69 1.34(3) . ?
C68 H68A 0.9500 . ?
C69 C70 1.38(2) . ?
C69 H69A 0.9500 . ?
C70 N8 1.33(2) . ?
C70 H70A 0.9500 . ?
C71 N9 1.322(16) . ?
C71 C72 1.380(19) . ?
C71 H71A 0.9500 . ?
C72 C73 1.39(2) . ?
C72 H72A 0.9500 . ?
C73 C74 1.339(18) . ?
C73 H73A 0.9500 . ?
C74 C75 1.396(16) . ?
C74 H74A 0.9500 . ?
C75 N9 1.360(14) . ?
C75 C76 1.466(16) . ?
C76 N10 1.362(14) . ?
C76 C77 1.387(16) . ?
C77 C78 1.426(17) . ?
C77 H77A 0.9500 . ?
C78 C79 1.356(19) . ?
C78 H78A 0.9500 . ?
C79 C80 1.390(18) . ?
C79 H79A 0.9500 . ?
C80 N10 1.340(16) . ?
C80 H80A 0.9500 . ?
C81 N11 1.339(14) . ?
C81 C82 1.364(18) . ?
C81 H81A 0.9500 . ?
C82 C83 1.36(2) . ?
C82 H82A 0.9500 . ?
C83 C84 1.370(18) . ?
C83 H83A 0.9500 . ?
C84 C85 1.393(16) . ?
C84 H84A 0.9500 . ?
C85 N11 1.336(15) . ?
C85 C86 1.487(15) . ?
C86 N12 1.336(15) . ?
C86 C87 1.387(18) . ?
C87 C88 1.421(17) . ?
C87 H87A 0.9500 . ?
C88 C89 1.35(2) . ?
C88 H88A 0.9500 . ?
C89 C90 1.37(2) . ?
C89 H89A 0.9500 . ?
C90 N12 1.348(16) . ?
C90 H90A 0.9500 . ?
N2 Ag2 2.305(10) 2_677 ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8500 . ?
O2W H2WA 0.8501 . ?
O2W H2WB 0.8502 . ?
O3W H3WA 0.8500 . ?
O3W H3WB 0.8500 . ?
O4W H4WA 0.8500 . ?
O4W H4WB 0.8500 . ?
O5W H5WA 0.8499 . ?
O5W H5WB 0.8499 . ?
O6W H6WA 0.8500 . ?
O6W H6WB 0.8500 . ?
O7 Cu2 2.207(10) 2_677 ?
O7W H7WA 0.8500 . ?
O7W H7WB 0.8500 . ?
O8W H8WA 0.8501 . ?
O8W H8WB 0.8500 . ?
O9W H9WB 0.8499 . ?
O9W H9WA 0.8500 . ?
O10W H10A 0.8499 . ?
O10W H10B 0.8500 . ?
O11W H11C 0.8499 . ?
O11W H11B 0.8500 . ?
O12W H12B 0.8499 . ?
O12W H12C 0.8500 . ?
O13W H13B 0.8500 . ?
O13W H13C 0.8500 . ?
O14W H14B 0.8501 . ?
O14W H14A 0.8500 . ?
O15W H15A 0.8501 . ?
O15W H15B 0.8500 . ?
O16W H16B 0.8500 . ?
O16W H16A 0.8500 . ?
O17W H17B 0.8499 . ?
O17W H17A 0.8500 . ?
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
O1W H1WA O10W 0.85 2.00 2.80(2) 157.5 .
O1W H1WB O6W 0.85 2.01 2.81(2) 157.0 1_565
O2W H2WA O10 0.85 1.86 2.709(19) 172.5 .
O2W H2WB O1W 0.85 2.01 2.86(2) 173.4 1_655
O3W H3WA O2W 0.85 1.74 2.59(3) 177.2 .
O3W H3WB O4W 0.85 1.82 2.67(3) 176.5 2_888
O4W H4WA O9 0.85 1.60 2.42(3) 161.0 .
O4W H4WB O5W 0.85 1.71 2.53(4) 163.6 2_778
O5W H5WA O8W 0.85 1.70 2.52(4) 163.5 .
O5W H5WB O6W 0.85 1.94 2.77(4) 168.7 .
O6W H6WA O12 0.85 2.09 2.874(15) 154.0 .
O6W H6WB O7W 0.85 2.06 2.85(2) 153.5 2_677
O7W H7WA O1 0.85 1.92 2.725(18) 156.6 .
O7W H7WB O8W 0.85 1.92 2.71(3) 155.2 2_677
O8W H8WB O8 0.85 2.01 2.82(3) 158.5 2_678
O9W H9WA O11 0.85 2.04 2.829(14) 153.8 .
O10W H10A O15W 0.85 1.88 2.717(16) 168.3 1_455
O10W H10B O5 0.85 2.16 2.99(2) 168.1 2_677
O12W H12B O2 0.85 1.98 2.825(18) 178.1 .
O13W H13B O4 0.85 2.07 2.826(15) 147.7 .
O9W H9WB O2 0.85 2.34 3.004(15) 135.4 2_777
O13W H13C O9 0.85 2.41 3.100(17) 138.7 2_777
O14W H14B O8 0.85 2.53 3.075(14) 123.1 1_444
O14W H14A O11 0.85 2.15 2.995(13) 178.6 2_667
O15W H15A O10 0.85 1.92 2.749(19) 164.6 .
O15W H15B O4 0.85 1.97 2.793(13) 163.9 2_777
O16W H16A O1 0.85 1.88 2.723(13) 170.1 1_445
O17W H17B O2W 0.85 2.51 3.257(19) 146.6 2_677
O17W H17A O8 0.85 2.01 2.843(14) 167.4 1_444
