#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:07:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180124 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/22/7102287.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_7102287
loop_
_publ_author_name
'Sun, Yan-Qiong'
'He, Jun'
'Xu, Zhengtao'
'Huang, Guo'
'Zhou, Xiao-Ping'
'Zeller, Matthias'
'Hunter, Allen D'
_publ_section_title
;
 Centripetal molecules as multifunctional building blocks for
 coordination networks.
;
_journal_issue                   45
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4779
_journal_page_last               4781
_journal_paper_doi               10.1039/b709942h
_journal_year                    2007
_chemical_formula_moiety
'C90 H68 Ag3 F12 N2 O4 Sb2, C66 H44 Ag N2 O4, 2(F6 Sb)'
_chemical_formula_sum            'C156 H112 Ag4 F24 N4 O8 Sb4'
_chemical_formula_weight         3545.02
_chemical_name_systematic
;
?
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   21.3675(10)
_cell_length_b                   21.3675(10)
_cell_length_c                   27.279(3)
_cell_measurement_reflns_used    9137
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.57
_cell_measurement_theta_min      2.32
_cell_volume                     10786.1(13)
_computing_cell_refinement       'SAINT+ 6.45 (Bruker, 2003)'
_computing_data_collection       'SMART 5.630 (Bruker, 1997-2002)'
_computing_data_reduction        'SAINT+ 6.45'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0268
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            92898
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.10
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.362
_exptl_absorpt_correction_T_max  0.793
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS in SAINT+ (Bruker, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             5244
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.832
_refine_diff_density_min         -0.861
_refine_diff_density_rms         0.139
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1071
_refine_ls_number_reflns         14532
_refine_ls_number_restraints     436
_refine_ls_restrained_S_all      1.221
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0654
_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)+(0.0583P)²+43.3604P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1626
_refine_ls_wR_factor_ref         0.1662
_reflns_number_gt                13969
_reflns_number_total             14532
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b709942h.txt
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal' according
to '/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P3(1)21
_cod_database_code               7102287
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
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
C1 C 0.3959(11) 0.3868(10) 0.0039(14) 0.026(5) Uani 0.50 1 d PU . .
C2 C 0.3242(5) 0.3242(5) 0.0000 0.034(2) Uani 1 2 d S . .
C3 C 0.3250(4) 0.2615(4) -0.0101(2) 0.0326(15) Uani 1 1 d . . .
H3A H 0.3693 0.2631 -0.0171 0.039 Uiso 1 1 calc R . .
C4 C 0.2605(4) 0.1960(4) -0.0101(2) 0.0286(14) Uani 1 1 d D . .
C5 C 0.1954(4) 0.1954(4) 0.0000 0.027(2) Uani 1 2 d SD . .
C6 C 0.1285(4) 0.1285(4) 0.0000 0.0253(19) Uani 1 2 d SD . .
C7 C 0.0722(5) 0.0722(5) 0.0000 0.036(2) Uani 1 2 d S . .
C8 C 0.0088(5) 0.0088(5) 0.0000 0.027(2) Uani 1 2 d S . .
C9 C -0.0471(4) -0.0471(4) 0.0000 0.027(2) Uani 1 2 d SD . .
C10 C -0.1140(4) -0.1140(4) 0.0000 0.026(2) Uani 1 2 d SD . .
C11 C -0.1143(3) -0.1777(4) 0.0128(2) 0.0254(14) Uani 1 1 d D . .
C12 C -0.1797(4) -0.2431(4) 0.0128(3) 0.0326(15) Uani 1 1 d . . .
H12A H -0.1813 -0.2870 0.0214 0.039 Uiso 1 1 calc R . .
C13 C -0.2425(5) -0.2425(5) 0.0000 0.033(2) Uani 1 2 d S . .
C14 C -0.3094(5) -0.3094(5) 0.0000 0.033(2) Uani 1 2 d S . .
C15 C 0.2578(4) 0.1292(4) -0.0219(2) 0.0300(15) Uani 1 1 d D . .
C16 C 0.2488(4) 0.0703(4) -0.0293(3) 0.0332(16) Uani 1 1 d D . .
C17 C 0.2301(4) -0.0022(4) -0.0410(3) 0.0325(16) Uani 1 1 d D . .
C18 C 0.1584(5) -0.0519(5) -0.0505(3) 0.0427(19) Uani 1 1 d . . .
H18A H 0.1234 -0.0369 -0.0496 0.051 Uiso 1 1 calc R . .
C19 C 0.1371(6) -0.1226(5) -0.0612(3) 0.058(3) Uani 1 1 d . . .
H19A H 0.0879 -0.1562 -0.0684 0.070 Uiso 1 1 calc R . .
C20 C 0.1880(6) -0.1437(5) -0.0613(3) 0.056(3) Uani 1 1 d . . .
C21 C 0.2595(6) -0.0967(5) -0.0508(3) 0.056(3) Uani 1 1 d . . .
H21A H 0.2935 -0.1131 -0.0504 0.068 Uiso 1 1 calc R . .
C22 C 0.2814(5) -0.0245(5) -0.0408(3) 0.0432(19) Uani 1 1 d . . .
H22A H 0.3307 0.0091 -0.0339 0.052 Uiso 1 1 calc R . .
C23 C 0.0995(10) -0.2648(5) -0.0814(5) 0.120(7) Uani 1 1 d . . .
H23A H 0.0960 -0.3115 -0.0882 0.180 Uiso 1 1 calc R . .
H23B H 0.0840 -0.2490 -0.1104 0.180 Uiso 1 1 calc R . .
H23C H 0.0684 -0.2698 -0.0536 0.180 Uiso 1 1 calc R . .
C24 C -0.0499(4) -0.1781(4) 0.0261(3) 0.0343(16) Uani 1 1 d D . .
C25 C 0.0028(4) -0.1788(4) 0.0383(3) 0.0325(16) Uani 1 1 d D . .
C26 C 0.0682(4) -0.1770(4) 0.0519(3) 0.0308(15) Uani 1 1 d D . .
C27 C 0.1294(4) -0.1114(4) 0.0633(3) 0.0348(16) Uani 1 1 d . . .
H27A H 0.1259 -0.0689 0.0636 0.042 Uiso 1 1 calc R . .
C28 C 0.1947(4) -0.1060(4) 0.0742(2) 0.0308(15) Uani 1 1 d . . .
H28A H 0.2353 -0.0605 0.0822 0.037 Uiso 1 1 calc R . .
C29 C 0.2003(4) -0.1676(4) 0.0734(3) 0.0340(16) Uani 1 1 d . . .
C30 C 0.1402(4) -0.2343(4) 0.0637(3) 0.0377(17) Uani 1 1 d . . .
H30A H 0.1442 -0.2765 0.0651 0.045 Uiso 1 1 calc R . .
C31 C 0.0739(4) -0.2405(4) 0.0521(3) 0.0317(15) Uani 1 1 d . . .
H31A H 0.0334 -0.2862 0.0445 0.038 Uiso 1 1 calc R . .
C32 C 0.3273(4) -0.0999(5) 0.0884(4) 0.050(2) Uani 1 1 d . . .
H32A H 0.3679 -0.1078 0.0952 0.075 Uiso 1 1 calc R . .
H32B H 0.3209 -0.0744 0.1161 0.075 Uiso 1 1 calc R . .
H32C H 0.3374 -0.0708 0.0586 0.075 Uiso 1 1 calc R . .
C33 C 0.0000 -0.3660(6) 0.1667 0.046(3) Uani 1 2 d S . .
C34 C 0.0000 -0.2977(4) 0.1667 0.031(2) Uani 1 2 d S . .
C35 C 0.0631(4) -0.2352(4) 0.1795(2) 0.0288(15) Uani 1 1 d . . .
H35A H 0.1052 -0.2368 0.1885 0.035 Uiso 1 1 calc R . .
C36 C 0.0632(4) -0.1695(4) 0.1790(3) 0.0306(15) Uani 1 1 d D . .
C37 C 0.0000 -0.1693(4) 0.1667 0.030(2) Uani 1 2 d SD . .
C38 C 0.0000 -0.1018(4) 0.1667 0.034(2) Uani 1 2 d SD . .
C39 C 0.0000 -0.0469(5) 0.1667 0.035(2) Uani 1 2 d S A .
C40 C 0.0000 0.0179(5) 0.1667 0.038(2) Uani 1 2 d S . .
C41 C 0.0101(13) 0.0783(9) 0.1627(12) 0.031(5) Uani 0.50 1 d PDU A -1
C42 C 0.0128(6) 0.1459(4) 0.1628(6) 0.026(4) Uani 0.50 1 d PGDU A -1
C43 C 0.0771(4) 0.2085(5) 0.1515(5) 0.032(3) Uani 0.50 1 d PGDU A -1
C44 C 0.0797(4) 0.2748(4) 0.1508(4) 0.031(3) Uani 0.50 1 d PGU A -1
H44A H 0.1236 0.3176 0.1431 0.037 Uiso 0.50 1 calc PR A -1
C45 C 0.0180(5) 0.2786(4) 0.1616(4) 0.033(4) Uani 0.50 1 d PGU . -1
C44A C -0.0462(4) 0.2160(5) 0.1729(4) 0.031(3) Uani 0.50 1 d PGU A -1
H44B H -0.0883 0.2186 0.1802 0.037 Uiso 0.50 1 calc PR A -1
C43A C -0.0488(4) 0.1497(4) 0.1735(5) 0.032(3) Uani 0.50 1 d PGU A -1
C46 C 0.0217(10) 0.3464(8) 0.1592(6) 0.038(4) Uani 0.50 1 d P . .
C47 C 0.1278(4) -0.1040(4) 0.1911(3) 0.0305(15) Uani 1 1 d D . .
C48 C 0.1778(4) -0.0461(3) 0.2010(3) 0.0329(16) Uani 1 1 d D . .
C49 C 0.2372(4) 0.0245(4) 0.2127(2) 0.0309(15) Uani 1 1 d D . .
C50 C 0.2224(4) 0.0803(4) 0.2224(3) 0.0322(16) Uani 1 1 d . . .
H50A H 0.1741 0.0711 0.2206 0.039 Uiso 1 1 calc R . .
C51 C 0.2772(4) 0.1482(4) 0.2344(3) 0.0335(15) Uani 1 1 d . . .
H51A H 0.2671 0.1860 0.2410 0.040 Uiso 1 1 calc R . .
C52 C 0.3472(5) 0.1610(4) 0.2368(3) 0.0397(18) Uani 1 1 d . . .
C53 C 0.3619(4) 0.1068(4) 0.2274(3) 0.0375(17) Uani 1 1 d . . .
H53A H 0.4103 0.1164 0.2293 0.045 Uiso 1 1 calc R . .
C54 C 0.3083(4) 0.0395(4) 0.2153(3) 0.0301(15) Uani 1 1 d . . .
H54A H 0.3194 0.0025 0.2085 0.036 Uiso 1 1 calc R . .
C55 C 0.3938(7) 0.2860(5) 0.2559(4) 0.063(3) Uani 1 1 d . . .
H55A H 0.4394 0.3289 0.2652 0.094 Uiso 1 1 calc R . .
H55B H 0.3585 0.2737 0.2823 0.094 Uiso 1 1 calc R . .
H55C H 0.3753 0.2961 0.2258 0.094 Uiso 1 1 calc R . .
C56 C 0.1406(8) 0.2053(10) 0.1394(7) 0.028(3) Uani 0.50 1 d PDU A -1
C57 C 0.1937(8) 0.2029(10) 0.1302(7) 0.028(3) Uani 0.50 1 d PDU A -1
C58 C 0.2552(5) 0.1967(5) 0.1169(4) 0.025(2) Uani 0.50 1 d PGDU A -1
C59 C 0.2458(4) 0.1288(4) 0.1068(4) 0.027(2) Uani 0.50 1 d PGU A -1
H59 H 0.1986 0.0877 0.1063 0.033 Uiso 0.50 1 calc PR A -1
C60 C 0.3055(5) 0.1209(5) 0.0973(5) 0.030(3) Uani 0.50 1 d PGU A -1
H60 H 0.2991 0.0745 0.0904 0.036 Uiso 0.50 1 calc PR A -1
C61 C 0.3745(5) 0.1811(6) 0.0981(5) 0.043(3) Uani 0.50 1 d PGDU A -1
C62 C 0.3839(4) 0.2490(5) 0.1082(5) 0.038(3) Uani 0.50 1 d PGU A -1
H62 H 0.4311 0.2901 0.1087 0.045 Uiso 0.50 1 calc PR A -1
C63 C 0.3242(6) 0.2568(4) 0.1177(5) 0.032(3) Uani 0.50 1 d PGU A -1
H63 H 0.3307 0.3032 0.1246 0.038 Uiso 0.50 1 calc PR A -1
O4 O 0.4362(8) 0.1787(8) 0.0936(7) 0.054(3) Uani 0.50 1 d PDU A -1
C64 C 0.4253(13) 0.1068(11) 0.0896(9) 0.055(4) Uani 0.50 1 d PDU A -1
H64A H 0.4721 0.1088 0.0908 0.083 Uiso 0.50 1 calc PR A -1
H64B H 0.4013 0.0853 0.0585 0.083 Uiso 0.50 1 calc PR A -1
H64C H 0.3951 0.0773 0.1169 0.083 Uiso 0.50 1 calc PR A -1
C56A C -0.1150(8) 0.0864(9) 0.1867(6) 0.028(3) Uani 0.50 1 d PD A -1
C57A C -0.1692(8) 0.0317(8) 0.1970(7) 0.028(3) Uani 0.50 1 d PD A -1
C58A C -0.2306(5) -0.0366(4) 0.2099(5) 0.025(2) Uani 0.50 1 d PGD A -1
C59A C -0.2209(4) -0.0949(5) 0.2202(4) 0.027(2) Uani 0.50 1 d PG A -1
H59A H -0.1738 -0.0891 0.2194 0.033 Uiso 0.50 1 calc PR A -1
C60A C -0.2801(6) -0.1617(5) 0.2319(5) 0.030(3) Uani 0.50 1 d PG A -1
H60A H -0.2735 -0.2016 0.2390 0.036 Uiso 0.50 1 calc PR A -1
C61A C -0.3490(5) -0.1702(5) 0.2331(5) 0.043(3) Uani 0.50 1 d PGD A -1
C62A C -0.3586(4) -0.1120(6) 0.2228(5) 0.038(3) Uani 0.50 1 d PG A -1
H62A H -0.4057 -0.1178 0.2236 0.045 Uiso 0.50 1 calc PR A -1
C63A C -0.2995(5) -0.0451(5) 0.2112(5) 0.032(3) Uani 0.50 1 d PG A -1
H63A H -0.3061 -0.0053 0.2041 0.038 Uiso 0.50 1 calc PR A -1
O4A O -0.4105(8) -0.2334(7) 0.2441(7) 0.054(3) Uani 0.50 1 d PD A -1
C64A C -0.4037(13) -0.2953(10) 0.2556(9) 0.055(4) Uani 0.50 1 d PD A -1
H64D H -0.4499 -0.3341 0.2683 0.083 Uiso 0.50 1 calc PR A -1
H64E H -0.3660 -0.2822 0.2805 0.083 Uiso 0.50 1 calc PR A -1
H64F H -0.3907 -0.3120 0.2259 0.083 Uiso 0.50 1 calc PR A -1
O1 O 0.1714(6) -0.2135(4) -0.0701(3) 0.094(3) Uani 1 1 d . . .
O2 O 0.2627(3) -0.1682(3) 0.0817(2) 0.0413(13) Uani 1 1 d . . .
O3 O 0.4057(3) 0.2275(3) 0.2477(2) 0.0473(14) Uani 1 1 d . . .
Ag1 Ag 0.55379(7) 0.52845(7) 0.00751(7) 0.0564(4) Uani 0.50 1 d P . .
C71 C 0.3940(7) 0.6578(9) 0.2770(6) 0.060(5) Uani 0.50 1 d PGU A 1
H71 H 0.4446 0.6993 0.2791 0.072 Uiso 0.50 1 calc PR A 1
C72 C 0.3837(10) 0.5897(11) 0.2875(8) 0.074(10) Uani 0.50 1 d PGU A 1
H72 H 0.4214 0.5793 0.2814 0.088 Uiso 0.50 1 calc PR A 1
C73 C 0.3185(13) 0.5367(9) 0.3071(9) 0.063(9) Uani 0.50 1 d PGU A 1
H73 H 0.3115 0.4902 0.3143 0.076 Uiso 0.50 1 calc PR A 1
C74 C 0.2634(9) 0.5519(9) 0.3162(7) 0.058(8) Uani 0.50 1 d PGU A 1
H74 H 0.2188 0.5158 0.3296 0.070 Uiso 0.50 1 calc PR A 1
C75 C 0.2736(7) 0.6201(10) 0.3056(6) 0.056(6) Uani 0.50 1 d PGU A 1
H75 H 0.2360 0.6305 0.3118 0.068 Uiso 0.50 1 calc PR A 1
C76 C 0.3389(8) 0.6730(7) 0.2860(6) 0.072(5) Uani 0.50 1 d PGU A 1
H76 H 0.3459 0.7196 0.2788 0.087 Uiso 0.50 1 calc PR A 1
Ag2 Ag 0.03507(9) 0.50379(8) 0.15973(6) 0.0551(4) Uani 0.50 1 d P . .
C71A C 0.3748(7) 0.6389(9) 0.2564(7) 0.060(5) Uani 0.50 1 d PGU B 2
H71A H 0.4254 0.6803 0.2538 0.072 Uiso 0.50 1 calc PR B 2
C72A C 0.3660(11) 0.5819(12) 0.2857(10) 0.072(10) Uani 0.50 1 d PGU B 2
H72A H 0.4026 0.5691 0.2868 0.086 Uiso 0.50 1 calc PR B 2
C73A C 0.3036(14) 0.5436(12) 0.3136(10) 0.091(14) Uani 0.50 1 d PGU B 2
H73A H 0.2976 0.5047 0.3336 0.109 Uiso 0.50 1 calc PR B 2
C74A C 0.2500(11) 0.5624(13) 0.3121(9) 0.089(13) Uani 0.50 1 d PGU B 2
H74A H 0.2074 0.5362 0.3311 0.106 Uiso 0.50 1 calc PR B 2
C75A C 0.2588(9) 0.6194(12) 0.2827(8) 0.081(9) Uani 0.50 1 d PGU B 2
H75A H 0.2222 0.6322 0.2817 0.097 Uiso 0.50 1 calc PR B 2
C76A C 0.3212(9) 0.6577(8) 0.2549(7) 0.072(5) Uani 0.50 1 d PGU B 2
H76A H 0.3375 0.7097 0.2485 0.087 Uiso 0.50 1 calc PR B 2
Ag3 Ag 0.34283(9) 0.61757(10) 0.19267(6) 0.0520(4) Uani 0.50 1 d P A 1
C77 C 0.4039(10) 0.6636(7) 0.1133(6) 0.084(5) Uani 0.50 1 d PGU A 1
H77 H 0.4184 0.6321 0.0953 0.100 Uiso 0.50 1 calc PR A 1
C78 C 0.4489(9) 0.7048(9) 0.1514(6) 0.061(6) Uani 0.50 1 d PGU A 1
H78 H 0.4930 0.7005 0.1566 0.073 Uiso 0.50 1 calc PR A 1
C79 C 0.4563(9) 0.7716(9) 0.1625(5) 0.071(7) Uani 0.50 1 d PGU A 1
H79 H 0.4871 0.7997 0.1886 0.085 Uiso 0.50 1 calc PR A 1
C80 C 0.4187(11) 0.7974(7) 0.1356(6) 0.077(10) Uani 0.50 1 d PGU A 1
H80 H 0.4237 0.8431 0.1432 0.093 Uiso 0.50 1 calc PR A 1
C81 C 0.3736(8) 0.7563(8) 0.0975(5) 0.057(5) Uani 0.50 1 d PGU A 1
H81 H 0.3479 0.7739 0.0791 0.068 Uiso 0.50 1 calc PR A 1
C82 C 0.3662(9) 0.6894(7) 0.0864(5) 0.061(5) Uani 0.50 1 d PGU A 1
H82 H 0.3354 0.6613 0.0603 0.073 Uiso 0.50 1 calc PR A 1
Ag4 Ag 0.31911(11) 0.58068(10) 0.17887(7) 0.0549(4) Uani 0.50 1 d P B 2
C77A C 0.3478(17) 0.6433(10) 0.1006(7) 0.118(12) Uani 0.50 1 d PGU B 2
H77A H 0.3358 0.6124 0.0707 0.142 Uiso 0.50 1 calc PR B 2
C78A C 0.4192(16) 0.6762(12) 0.1164(8) 0.084(5) Uani 0.50 1 d PGU B 2
H78A H 0.4467 0.6529 0.1114 0.100 Uiso 0.50 1 calc PR B 2
C79A C 0.4503(10) 0.7430(12) 0.1396(9) 0.118(14) Uani 0.50 1 d PGU B 2
H79A H 0.4990 0.7654 0.1504 0.141 Uiso 0.50 1 calc PR B 2
C80A C 0.4100(15) 0.7770(9) 0.1470(8) 0.085(10) Uani 0.50 1 d PGU B 2
H80A H 0.4313 0.8227 0.1629 0.101 Uiso 0.50 1 calc PR B 2
C81A C 0.3387(15) 0.7442(16) 0.1312(10) 0.123(13) Uani 0.50 1 d PGU B 2
H81A H 0.3112 0.7674 0.1363 0.148 Uiso 0.50 1 calc PR B 2
C82A C 0.3076(11) 0.6773(16) 0.1080(9) 0.153(16) Uani 0.50 1 d PGU B 2
H82A H 0.2588 0.6549 0.0972 0.183 Uiso 0.50 1 calc PR B 2
Sb2 Sb 0.01759(3) 0.53333(3) 0.31114(2) 0.04096(14) Uani 1 1 d . . .
C83 C 0.2183(7) 0.5263(7) 0.1905(4) 0.055(5) Uani 0.50 1 d PGU A 1
H83 H 0.1993 0.4968 0.2211 0.066 Uiso 0.50 1 calc PR A 1
C84 C 0.2242(7) 0.4898(6) 0.1502(5) 0.053(5) Uani 0.50 1 d PGU A 1
H84 H 0.2371 0.4536 0.1547 0.064 Uiso 0.50 1 calc PR A 1
C85 C 0.2113(8) 0.5063(7) 0.1033(4) 0.070(6) Uani 0.50 1 d PGU A 1
H85 H 0.2154 0.4814 0.0758 0.084 Uiso 0.50 1 calc PR A 1
C86 C 0.1925(8) 0.5593(8) 0.0968(3) 0.053(5) Uani 0.50 1 d PGU A 1
H86 H 0.1836 0.5706 0.0648 0.064 Uiso 0.50 1 calc PR A 1
C87 C 0.1865(7) 0.5958(6) 0.1371(4) 0.054(5) Uani 0.50 1 d PGU A 1
H87 H 0.1736 0.6320 0.1327 0.064 Uiso 0.50 1 calc PR A 1
C88 C 0.1994(8) 0.5792(7) 0.1840(4) 0.067(6) Uani 0.50 1 d PGU A 1
H88 H 0.1953 0.6041 0.2115 0.080 Uiso 0.50 1 calc PR A 1
Sb1 Sb 0.45234(3) 0.49143(3) 0.14335(2) 0.04585(15) Uani 1 1 d . . .
C83A C 0.1474(10) 0.4934(12) 0.1127(8) 0.128(13) Uani 0.50 1 d PGU B 2
H83A H 0.1181 0.5101 0.0980 0.153 Uiso 0.50 1 calc PR B 2
C84A C 0.1575(9) 0.4980(10) 0.1632(7) 0.086(8) Uani 0.50 1 d PGU B 2
H84A H 0.1351 0.5178 0.1830 0.103 Uiso 0.50 1 calc PR B 2
C85A C 0.2003(9) 0.4735(9) 0.1848(4) 0.071(7) Uani 0.50 1 d PGU B 2
H85A H 0.2072 0.4767 0.2193 0.085 Uiso 0.50 1 calc PR B 2
C86A C 0.2330(9) 0.4445(8) 0.1558(6) 0.081(8) Uani 0.50 1 d PGU B 2
H86A H 0.2623 0.4278 0.1705 0.097 Uiso 0.50 1 calc PR B 2
C87A C 0.2229(10) 0.4399(9) 0.1053(6) 0.085(8) Uani 0.50 1 d PGU B 2
H87A H 0.2453 0.4200 0.0855 0.101 Uiso 0.50 1 calc PR B 2
C88A C 0.1801(11) 0.4643(11) 0.0838(5) 0.129(14) Uani 0.50 1 d PGU B 2
H88A H 0.1732 0.4612 0.0493 0.154 Uiso 0.50 1 calc PR B 2
F1 F 0.0987(3) 0.5606(4) 0.3492(2) 0.0747(19) Uani 1 1 d . . .
F2 F -0.0204(5) 0.4388(4) 0.3303(3) 0.112(3) Uani 1 1 d . . .
F3 F -0.0624(3) 0.5097(3) 0.2717(2) 0.0679(17) Uani 1 1 d . . .
F4 F 0.0563(4) 0.6285(3) 0.2904(4) 0.109(3) Uani 1 1 d . . .
F5 F -0.0262(5) 0.5537(6) 0.3613(3) 0.125(4) Uani 1 1 d . . .
F6 F 0.0609(4) 0.5154(5) 0.2589(2) 0.090(2) Uani 1 1 d . . .
F7 F 0.4799(4) 0.4333(4) 0.1106(3) 0.084(2) Uani 1 1 d . . .
F8 F 0.3675(4) 0.4486(5) 0.1066(3) 0.106(3) Uani 1 1 d . . .
F9 F 0.4941(5) 0.5617(3) 0.0960(3) 0.104(3) Uani 1 1 d . . .
F10 F 0.4200(4) 0.5456(4) 0.1766(3) 0.081(2) Uani 1 1 d . . .
F11 F 0.5364(4) 0.5362(5) 0.1788(3) 0.106(3) Uani 1 1 d . . .
F12 F 0.4061(6) 0.4189(5) 0.1891(3) 0.126(4) Uani 1 1 d . . .
N1 N 0.4510(6) 0.4381(7) 0.0053(8) 0.030(4) Uani 0.50 1 d PU C .
N2 N -0.3632(4) -0.3632(4) 0.0000 0.046(3) Uani 1 2 d S . .
N3 N 0.0266(9) 0.4011(9) 0.1587(7) 0.058(5) Uani 0.50 1 d P . .
N4 N 0.0162(10) -0.4097(7) 0.1674(14) 0.040(6) Uani 0.50 1 d P . .
C65 C 0.6429(8) 0.4574(8) 0.0186(5) 0.095(9) Uani 0.50 1 d PGU C 3
H65 H 0.6128 0.4195 -0.0032 0.114 Uiso 0.50 1 calc PR C 3
C66 C 0.6148(6) 0.4665(7) 0.0623(6) 0.067(6) Uani 0.50 1 d PGU C 3
H66 H 0.5655 0.4348 0.0703 0.080 Uiso 0.50 1 calc PR C 3
C67 C 0.6588(7) 0.5219(8) 0.0942(4) 0.044(5) Uani 0.50 1 d PGU C 3
H67 H 0.6396 0.5282 0.1240 0.053 Uiso 0.50 1 calc PR C 3
C68 C 0.7310(7) 0.5682(7) 0.0825(5) 0.060(5) Uani 0.50 1 d PGU C 3
H68 H 0.7611 0.6061 0.1043 0.072 Uiso 0.50 1 calc PR C 3
C69 C 0.7591(6) 0.5591(7) 0.0388(6) 0.072(9) Uani 0.50 1 d PGU C 3
H69 H 0.8084 0.5907 0.0308 0.087 Uiso 0.50 1 calc PR C 3
C70 C 0.7150(9) 0.5036(9) 0.0069(5) 0.060(6) Uani 0.50 1 d PGU C 3
H70 H 0.7342 0.4974 -0.0229 0.072 Uiso 0.50 1 calc PR C 3
C65A C 0.7120(15) 0.5327(14) 0.0251(7) 0.15(2) Uani 0.50 1 d PGU D 4
H65A H 0.7012 0.5344 -0.0085 0.181 Uiso 0.50 1 calc PR D 4
C66A C 0.6602(11) 0.5190(14) 0.0608(10) 0.114(12) Uani 0.50 1 d PGU D 4
H66A H 0.6141 0.5114 0.0516 0.137 Uiso 0.50 1 calc PR D 4
C67A C 0.6761(11) 0.5164(14) 0.1099(9) 0.105(12) Uani 0.50 1 d PGU D 4
H67A H 0.6407 0.5070 0.1343 0.125 Uiso 0.50 1 calc PR D 4
C68A C 0.7436(13) 0.5275(16) 0.1234(6) 0.20(2) Uani 0.50 1 d PGU D 4
H68A H 0.7545 0.5257 0.1569 0.240 Uiso 0.50 1 calc PR D 4
C69A C 0.7954(9) 0.5412(12) 0.0877(8) 0.118(12) Uani 0.50 1 d PGU D 4
H69A H 0.8416 0.5488 0.0968 0.142 Uiso 0.50 1 calc PR D 4
C70A C 0.7795(12) 0.5438(10) 0.0385(7) 0.083(9) Uani 0.50 1 d PGU D 4
H70A H 0.8149 0.5531 0.0141 0.100 Uiso 0.50 1 calc PR D 4
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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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
C1 C1 N1 94.1(15) 4 .
C1 C1 N1 67.2(13) 4 4
C1 C1 C2 82.2(10) 4 .
N1 C1 C2 176(3) . .
N1 C1 C2 149(2) 4 .
C3 C2 C3 122.6(10) . 4
C3 C2 C1 113.1(14) . .
C3 C2 C1 124.0(15) 4 .
C3 C2 C1 124.0(15) . 4
C3 C2 C1 113.0(14) 4 4
C2 C3 C4 119.4(7) . .
C2 C3 H3A 120.3 . .
C4 C3 H3A 120.3 . .
C3 C4 C5 119.0(7) . .
C3 C4 C15 121.8(7) . .
C5 C4 C15 119.1(7) . .
C4 C5 C4 120.4(9) . 4
C4 C5 C6 119.8(4) . .
C4 C5 C6 119.8(4) 4 .
C7 C6 C5 180.0(18) . .
C6 C7 C8 180.0(10) . .
C9 C8 C7 180.0(18) . .
C8 C9 C10 180.0(18) . .
C11 C10 C11 121.6(8) . 4
C11 C10 C9 119.2(4) . .
C11 C10 C9 119.2(4) 4 .
C12 C11 C10 119.2(7) . .
C12 C11 C24 118.6(6) . .
C10 C11 C24 122.1(6) . .
C13 C12 C11 118.4(7) . .
C13 C12 H12A 120.8 . .
C11 C12 H12A 120.8 . .
C12 C13 C12 123.1(10) . 4
C12 C13 C14 118.4(5) . .
C12 C13 C14 118.4(5) 4 .
N2 C14 C13 180(2) . .
C16 C15 C4 173.2(8) . .
C15 C16 C17 173.1(8) . .
C18 C17 C22 119.7(7) . .
C18 C17 C16 118.4(7) . .
C22 C17 C16 121.8(7) . .
C19 C18 C17 121.1(9) . .
C19 C18 H18A 119.5 . .
C17 C18 H18A 119.5 . .
C20 C19 C18 118.7(9) . .
C20 C19 H19A 120.7 . .
C18 C19 H19A 120.7 . .
C19 C20 O1 122.8(10) . .
C19 C20 C21 122.4(8) . .
O1 C20 C21 114.8(10) . .
C20 C21 C22 118.9(9) . .
C20 C21 H21A 120.6 . .
C22 C21 H21A 120.6 . .
C17 C22 C21 119.3(9) . .
C17 C22 H22A 120.4 . .
C21 C22 H22A 120.4 . .
O1 C23 H23A 109.5 . .
O1 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
O1 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C11 178.4(9) . .
C24 C25 C26 177.7(9) . .
C27 C26 C31 118.2(7) . .
C27 C26 C25 119.9(7) . .
C31 C26 C25 121.8(7) . .
C28 C27 C26 122.5(7) . .
C28 C27 H27A 118.8 . .
C26 C27 H27A 118.8 . .
C27 C28 C29 119.0(7) . .
C27 C28 H28A 120.5 . .
C29 C28 H28A 120.5 . .
O2 C29 C28 124.0(7) . .
O2 C29 C30 115.7(7) . .
C28 C29 C30 120.3(7) . .
C29 C30 C31 121.3(7) . .
C29 C30 H30A 119.4 . .
C31 C30 H30A 119.4 . .
C30 C31 C26 118.6(7) . .
C30 C31 H31A 120.7 . .
C26 C31 H31A 120.7 . .
O2 C32 H32A 109.5 . .
O2 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
O2 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N4 C33 C34 164.8(9) 6 .
N4 C33 C34 164.8(9) . .
C35 C34 C35 123.0(9) . 6
C35 C34 C33 118.5(5) . .
C35 C34 C33 118.5(5) 6 .
C34 C35 C36 118.4(7) . .
C34 C35 H35A 120.8 . .
C36 C35 H35A 120.8 . .
C37 C36 C35 119.3(7) . .
C37 C36 C47 121.1(7) . .
C35 C36 C47 119.7(7) . .
C36 C37 C36 121.6(8) 6 .
C36 C37 C38 119.2(4) 6 .
C36 C37 C38 119.2(4) . .
C39 C38 C37 180.000(1) . .
C38 C39 C40 180.000(1) . .
C41 C40 C39 169.6(11) . .
C41 C40 C39 169.6(11) 6 .
C40 C41 C42 171(2) . .
C43 C42 C43A 120.0 . .
C43 C42 C41 119.8(11) . .
C43A C42 C41 120.2(11) . .
C42 C43 C44 120.0 . .
C42 C43 C56 120.6(10) . .
C44 C43 C56 119.4(10) . .
C45 C44 C43 120.0 . .
C45 C44 H44A 120.0 . .
C43 C44 H44A 120.0 . .
C44 C45 C44A 120.0 . .
C44 C45 C46 118.8(9) . .
C44A C45 C46 121.2(9) . .
C44 C45 C46 151.2(8) . 6
C44A C45 C46 88.4(7) . 6
C43A C44A C45 120.0 . .
C43A C44A H44B 120.0 . .
C45 C44A H44B 120.0 . .
C44A C43A C42 120.0 . .
C44A C43A C56A 118.9(9) . .
C42 C43A C56A 121.0(9) . .
C46 C46 N3 94.4(13) 6 .
C46 C46 C45 86.3(7) 6 .
N3 C46 C45 177(2) . .
C46 C46 N3 48.5(8) 6 6
N3 C46 N3 45.9(15) . 6
C45 C46 N3 134.9(14) . 6
C46 C46 C45 60.1(6) 6 6
N3 C46 C45 154.4(17) . 6
N3 C46 C45 108.6(12) 6 6
C48 C47 C36 173.6(8) . .
C47 C48 C49 178.8(9) . .
C54 C49 C50 118.7(7) . .
C54 C49 C48 122.9(7) . .
C50 C49 C48 118.5(7) . .
C51 C50 C49 120.6(7) . .
C51 C50 H50A 119.7 . .
C49 C50 H50A 119.7 . .
C50 C51 C52 119.1(7) . .
C50 C51 H51A 120.4 . .
C52 C51 H51A 120.4 . .
C53 C52 O3 116.2(8) . .
C53 C52 C51 120.5(7) . .
O3 C52 C51 123.3(8) . .
C54 C53 C52 120.9(8) . .
C54 C53 H53A 119.5 . .
C52 C53 H53A 119.5 . .
C53 C54 C49 120.2(7) . .
C53 C54 H54A 119.9 . .
C49 C54 H54A 119.9 . .
O3 C55 H55A 109.5 . .
O3 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
O3 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C57 C56 C43 179(2) . .
C56 C57 C58 176(2) . .
C59 C58 C63 120.0 . .
C59 C58 C57 119.2(10) . .
C63 C58 C57 120.6(10) . .
C60 C59 C58 120.0 . .
C60 C59 H59 120.0 . .
C58 C59 H59 120.0 . .
C59 C60 C61 120.0 . .
C59 C60 H60 120.0 . .
C61 C60 H60 120.0 . .
O4 C61 C62 115.1(10) . .
O4 C61 C60 124.7(10) . .
C62 C61 C60 120.0 . .
C61 C62 C63 120.0 . .
C61 C62 H62 120.0 . .
C63 C62 H62 120.0 . .
C62 C63 C58 120.0 . .
C62 C63 H63 120.0 . .
C58 C63 H63 120.0 . .
C61 O4 C64 114.0(15) . .
C57A C56A C43A 177(2) . .
C56A C57A C58A 175.3(19) . .
C59A C58A C63A 120.0 . .
C59A C58A C57A 119.4(10) . .
C63A C58A C57A 120.6(10) . .
C58A C59A C60A 120.0 . .
C58A C59A H59A 120.0 . .
C60A C59A H59A 120.0 . .
C61A C60A C59A 120.0 . .
C61A C60A H60A 120.0 . .
C59A C60A H60A 120.0 . .
O4A C61A C60A 124.6(9) . .
O4A C61A C62A 115.4(9) . .
C60A C61A C62A 120.0 . .
C61A C62A C63A 120.0 . .
C61A C62A H62A 120.0 . .
C63A C62A H62A 120.0 . .
C62A C63A C58A 120.0 . .
C62A C63A H63A 120.0 . .
C58A C63A H63A 120.0 . .
C61A O4A C64A 117.9(15) . .
C20 O1 C23 118.3(11) . .
C29 O2 C32 117.6(6) . .
C52 O3 C55 118.4(8) . .
Ag1 Ag1 N1 83.5(4) 4 .
Ag1 Ag1 N2 75.95(8) 4 1_665
N1 Ag1 N2 159.4(4) . 1_665
Ag1 Ag1 N1 69.1(3) 4 4
N2 Ag1 N1 145.0(3) 1_665 4
Ag1 Ag1 C66 170.3(4) 4 .
N1 Ag1 C66 96.0(4) . .
N2 Ag1 C66 104.1(2) 1_665 .
N1 Ag1 C66 110.6(4) 4 .
C72 C71 C76 120.0 . .
C72 C71 Ag3 91.0(8) . .
C76 C71 Ag3 88.2(7) . .
C72 C71 H71 116.7 . .
C76 C71 H71 116.7 . .
Ag3 C71 H71 116.7 . .
C73 C72 C71 120.0 . .
C73 C72 H72 120.0 . .
C71 C72 H72 120.0 . .
C74 C73 C72 120.0 . .
C74 C73 H73 120.0 . .
C72 C73 H73 120.0 . .
C75 C74 C73 120.0 . .
C75 C74 H74 120.0 . .
C73 C74 H74 120.0 . .
C74 C75 C76 120.0 . .
C74 C75 H75 120.0 . .
C76 C75 H75 120.0 . .
C75 C76 C71 120.0 . .
C75 C76 H76 120.0 . .
C71 C76 H76 120.0 . .
Ag2 Ag2 N4 79.1(7) 6 1_565
Ag2 Ag2 N3 86.1(5) 6 .
N4 Ag2 N3 165.2(8) 1_565 .
Ag2 Ag2 N4 65.0(6) 6 6_565
N3 Ag2 N4 150.7(7) . 6_565
Ag2 Ag2 N3 60.1(4) 6 6
N4 Ag2 N3 139.0(8) 1_565 6
N3 Ag2 N3 26.2(9) . 6
N4 Ag2 N3 125.1(7) 6_565 6
Ag2 Ag2 C87 172.1(2) 6 .
N4 Ag2 C87 93.8(6) 1_565 .
N3 Ag2 C87 100.9(5) . .
N4 Ag2 C87 108.2(6) 6_565 .
N3 Ag2 C87 126.6(4) 6 .
C72A C71A C76A 120.0 . .
C72A C71A Ag4 103.5(10) . .
C76A C71A Ag4 81.9(8) . .
C72A C71A H71A 115.3 . .
C76A C71A H71A 115.3 . .
Ag4 C71A H71A 115.3 . .
C73A C72A C71A 120.0 . .
C73A C72A H72A 120.0 . .
C71A C72A H72A 120.0 . .
C72A C73A C74A 120.0 . .
C72A C73A H73A 120.0 . .
C74A C73A H73A 120.0 . .
C75A C74A C73A 120.0 . .
C75A C74A H74A 120.0 . .
C73A C74A H74A 120.0 . .
C74A C75A C76A 120.0 . .
C74A C75A H75A 120.0 . .
C76A C75A H75A 120.0 . .
C75A C76A C71A 120.0 . .
C75A C76A Ag4 110.6(8) . .
C71A C76A Ag4 66.5(8) . .
C75A C76A H76A 116.5 . .
C71A C76A H76A 116.5 . .
Ag4 C76A H76A 116.5 . .
C78 Ag3 C83 149.9(4) . .
C78 Ag3 C77 33.3(2) . .
C83 Ag3 C77 117.1(5) . .
C78 Ag3 C71 94.8(5) . .
C83 Ag3 C71 114.8(4) . .
C77 Ag3 C71 128.0(5) . .
C78 C77 C82 120.0 . .
C78 C77 Ag3 69.9(7) . .
C82 C77 Ag3 109.1(7) . .
C78 C77 H77 116.3 . .
C82 C77 H77 116.3 . .
Ag3 C77 H77 116.3 . .
C79 C78 C77 120.0 . .
C79 C78 Ag3 106.0(8) . .
C77 C78 Ag3 76.8(7) . .
C79 C78 H78 115.7 . .
C77 C78 H78 115.7 . .
Ag3 C78 H78 115.7 . .
C80 C79 C78 120.0 . .
C80 C79 H79 120.0 . .
C78 C79 H79 120.0 . .
C79 C80 C81 120.0 . .
C79 C80 H80 120.0 . .
C81 C80 H80 120.0 . .
C82 C81 C80 120.0 . .
C82 C81 H81 120.0 . .
C80 C81 H81 120.0 . .
C81 C82 C77 120.0 . .
C81 C82 H82 120.0 . .
C77 C82 H82 120.0 . .
C85A Ag4 C77A 115.8(7) . .
C85A Ag4 C71A 115.9(5) . .
C77A Ag4 C71A 123.8(6) . .
C85A Ag4 C86A 31.62(19) . .
C77A Ag4 C86A 104.1(5) . .
C71A Ag4 C86A 131.7(5) . .
C85A Ag4 C76A 102.7(5) . .
C77A Ag4 C76A 115.2(6) . .
C71A Ag4 C76A 31.5(2) . .
C86A Ag4 C76A 131.6(5) . .
C85A Ag4 C78A 144.5(7) . .
C77A Ag4 C78A 30.9(2) . .
C71A Ag4 C78A 99.3(7) . .
C86A Ag4 C78A 122.6(6) . .
C76A Ag4 C78A 105.4(6) . .
C78A C77A C82A 120.0 . .
C78A C77A Ag4 85.2(11) . .
C82A C77A Ag4 96.2(10) . .
C78A C77A H77A 116.2 . .
C82A C77A H77A 116.2 . .
Ag4 C77A H77A 116.2 . .
C77A C78A C79A 120.0 . .
C77A C78A Ag4 63.9(9) . .
C79A C78A Ag4 106.3(8) . .
C77A C78A H78A 120.0 . .
C79A C78A H78A 120.0 . .
Ag4 C78A H78A 99.2 . .
C78A C79A C80A 120.0 . .
C78A C79A H79A 120.0 . .
C80A C79A H79A 120.0 . .
C81A C80A C79A 120.0 . .
C81A C80A H80A 120.0 . .
C79A C80A H80A 120.0 . .
C80A C81A C82A 120.0 . .
C80A C81A H81A 120.0 . .
C82A C81A H81A 120.0 . .
C81A C82A C77A 120.0 . .
C81A C82A H82A 120.0 . .
C77A C82A H82A 120.0 . .
F5 Sb2 F2 93.0(5) . .
F5 Sb2 F6 177.5(4) . .
F2 Sb2 F6 89.0(4) . .
F5 Sb2 F1 90.9(4) . .
F2 Sb2 F1 90.9(4) . .
F6 Sb2 F1 90.6(3) . .
F5 Sb2 F4 88.2(5) . .
F2 Sb2 F4 178.7(5) . .
F6 Sb2 F4 89.8(4) . .
F1 Sb2 F4 89.6(3) . .
F5 Sb2 F3 89.2(4) . .
F2 Sb2 F3 91.5(4) . .
F6 Sb2 F3 89.2(3) . .
F1 Sb2 F3 177.6(3) . .
F4 Sb2 F3 88.1(3) . .
C84 C83 C88 120.0 . .
C84 C83 Ag3 95.7(6) . .
C88 C83 Ag3 89.8(5) . .
C84 C83 H83 115.4 . .
C88 C83 H83 115.4 . .
Ag3 C83 H83 115.4 . .
C83 C84 C85 120.0 . .
C83 C84 H84 120.0 . .
C85 C84 H84 120.0 . .
C84 C85 C86 120.0 . .
C84 C85 H85 120.0 . .
C86 C85 H85 120.0 . .
C87 C86 C85 120.0 . .
C87 C86 H86 120.0 . .
C85 C86 H86 120.0 . .
C88 C87 C86 120.0 . .
C88 C87 Ag2 85.9(5) . .
C86 C87 Ag2 100.0(6) . .
C88 C87 H87 120.0 . .
C86 C87 H87 120.0 . .
Ag2 C87 H87 84.2 . .
C87 C88 C83 120.0 . .
C87 C88 H88 120.0 . .
C83 C88 H88 120.0 . .
F11 Sb1 F9 89.7(5) . .
F11 Sb1 F12 93.2(5) . .
F9 Sb1 F12 177.1(5) . .
F11 Sb1 F7 92.7(4) . .
F9 Sb1 F7 91.3(4) . .
F12 Sb1 F7 88.8(4) . .
F11 Sb1 F10 89.4(4) . .
F9 Sb1 F10 90.8(4) . .
F12 Sb1 F10 89.0(4) . .
F7 Sb1 F10 177.0(4) . .
F11 Sb1 F8 178.3(5) . .
F9 Sb1 F8 88.8(4) . .
F12 Sb1 F8 88.3(5) . .
F7 Sb1 F8 88.2(3) . .
F10 Sb1 F8 89.7(4) . .
C84A C83A C88A 120.0 . .
C84A C83A H83A 120.0 . .
C88A C83A H83A 120.0 . .
C83A C84A C85A 120.0 . .
C83A C84A H84A 120.0 . .
C85A C84A H84A 120.0 . .
C84A C85A C86A 120.0 . .
C84A C85A Ag4 101.1(7) . .
C86A C85A Ag4 82.0(7) . .
C84A C85A H85A 120.0 . .
C86A C85A H85A 120.0 . .
Ag4 C85A H85A 87.0 . .
C87A C86A C85A 120.0 . .
C87A C86A Ag4 108.3(6) . .
C85A C86A Ag4 66.4(6) . .
C87A C86A H86A 120.0 . .
C85A C86A H86A 120.0 . .
Ag4 C86A H86A 95.0 . .
C86A C87A C88A 120.0 . .
C86A C87A H87A 120.0 . .
C88A C87A H87A 120.0 . .
C87A C88A C83A 120.0 . .
C87A C88A H88A 120.0 . .
C83A C88A H88A 120.0 . .
N1 N1 C1 85.9(15) 4 .
N1 N1 C1 67.2(13) 4 4
N1 N1 Ag1 96.3(4) 4 .
C1 N1 Ag1 177(2) . .
C1 N1 Ag1 163.4(15) 4 .
N1 N1 Ag1 69.1(3) 4 4
C1 N1 Ag1 154.9(17) . 4
C1 N1 Ag1 136.3(14) 4 4
C14 N2 Ag1 165.95(7) . 1_445
C14 N2 Ag1 165.95(7) . 4_445
N3 N3 C46 85.6(13) 6 .
N3 N3 C46 48.5(8) 6 6
N3 N3 Ag2 93.6(5) 6 .
C46 N3 Ag2 178.7(18) . .
C46 N3 Ag2 142.0(12) 6 .
N3 N3 Ag2 60.2(4) 6 6
C46 N3 Ag2 145.5(16) . 6
C46 N3 Ag2 108.7(10) 6 6
C33 N4 Ag2 171(2) . 1_545
C33 N4 Ag2 140.0(14) . 6_545
C66 C65 C70 120.0 . .
C66 C65 H65 120.0 . .
C70 C65 H65 120.0 . .
C67 C66 C65 120.0 . .
C67 C66 Ag1 102.4(6) . .
C65 C66 Ag1 86.8(6) . .
C67 C66 H66 120.0 . .
C65 C66 H66 120.0 . .
Ag1 C66 H66 80.9 . .
C66 C67 C68 120.0 . .
C66 C67 H67 120.0 . .
C68 C67 H67 120.0 . .
C69 C68 C67 120.0 . .
C69 C68 H68 120.0 . .
C67 C68 H68 120.0 . .
C70 C69 C68 120.0 . .
C70 C69 H69 120.0 . .
C68 C69 H69 120.0 . .
C69 C70 C65 120.0 . .
C69 C70 H70 120.0 . .
C65 C70 H70 120.0 . .
C66A C65A C70A 120.0 . .
C66A C65A H65A 120.0 . .
C70A C65A H65A 120.0 . .
C65A C66A C67A 120.0 . .
C65A C66A H66A 120.0 . .
C67A C66A H66A 120.0 . .
C66A C67A C68A 120.0 . .
C66A C67A H67A 120.0 . .
C68A C67A H67A 120.0 . .
C67A C68A C69A 120.0 . .
C67A C68A H68A 120.0 . .
C69A C68A H68A 120.0 . .
C70A C69A C68A 120.0 . .
C70A C69A H69A 120.0 . .
C68A C69A H69A 120.0 . .
C69A C70A C65A 120.0 . .
C69A C70A H70A 120.0 . .
C65A C70A H70A 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C1 0.40(5) 4
C1 N1 1.140(17) .
C1 N1 1.233(19) 4
C1 C2 1.448(16) .
C2 C3 1.376(9) .
C2 C3 1.376(9) 4
C2 C1 1.448(16) 4
C3 C4 1.390(10) .
C3 H3A 0.9500 .
C4 C5 1.411(8) .
C4 C15 1.435(9) .
C5 C4 1.412(8) 4
C5 C6 1.430(11) .
C6 C7 1.202(14) .
C7 C8 1.355(14) .
C8 C9 1.194(13) .
C9 C10 1.429(11) .
C10 C11 1.403(8) .
C10 C11 1.403(8) 4
C11 C12 1.397(10) .
C11 C24 1.427(9) .
C12 C13 1.394(9) .
C12 H12A 0.9500 .
C13 C12 1.394(9) 4
C13 C14 1.430(15) .
C14 N2 1.149(14) .
C15 C16 1.192(9) .
C16 C17 1.430(9) .
C17 C18 1.383(12) .
C17 C22 1.397(12) .
C18 C19 1.373(13) .
C18 H18A 0.9500 .
C19 C20 1.371(16) .
C19 H19A 0.9500 .
C20 O1 1.371(10) .
C20 C21 1.375(15) .
C21 C22 1.398(12) .
C21 H21A 0.9500 .
C22 H22A 0.9500 .
C23 O1 1.404(18) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.182(9) .
C25 C26 1.427(9) .
C26 C27 1.393(10) .
C26 C31 1.422(10) .
C27 C28 1.373(11) .
C27 H27A 0.9500 .
C28 C29 1.382(11) .
C28 H28A 0.9500 .
C29 O2 1.358(9) .
C29 C30 1.385(11) .
C30 C31 1.390(11) .
C30 H30A 0.9500 .
C31 H31A 0.9500 .
C32 O2 1.433(10) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 N4 1.146(16) 6
C33 N4 1.146(16) .
C33 C34 1.460(15) .
C34 C35 1.387(9) .
C34 C35 1.387(9) 6
C35 C36 1.402(10) .
C35 H35A 0.9500 .
C36 C37 1.394(9) .
C36 C47 1.429(9) .
C37 C36 1.394(9) 6
C37 C38 1.442(11) .
C38 C39 1.173(14) .
C39 C40 1.384(15) .
C40 C41 1.201(16) .
C40 C41 1.202(16) 6
C41 C42 1.418(11) .
C42 C43 1.3900 .
C42 C43A 1.3900 .
C43 C44 1.3900 .
C43 C56 1.430(12) .
C44 C45 1.3900 .
C44 H44A 0.9500 .
C45 C44A 1.3900 .
C45 C46 1.414(14) .
C45 C46 1.628(16) 6
C44A C43A 1.3900 .
C44A H44B 0.9500 .
C43A C56A 1.430(16) .
C46 C46 0.90(3) 6
C46 N3 1.12(2) .
C46 N3 1.49(2) 6
C46 C45 1.628(15) 6
C47 C48 1.193(9) .
C48 C49 1.441(9) .
C49 C54 1.388(11) .
C49 C50 1.403(10) .
C50 C51 1.372(11) .
C50 H50A 0.9500 .
C51 C52 1.382(12) .
C51 H51A 0.9500 .
C52 C53 1.368(12) .
C52 O3 1.376(9) .
C53 C54 1.357(11) .
C53 H53A 0.9500 .
C54 H54A 0.9500 .
C55 O3 1.411(11) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 C57 1.189(13) .
C57 C58 1.432(12) .
C58 C59 1.3900 .
C58 C63 1.3900 .
C59 C60 1.3900 .
C59 H59 0.9500 .
C60 C61 1.3900 .
C60 H60 0.9500 .
C61 O4 1.350(14) .
C61 C62 1.3900 .
C62 C63 1.3900 .
C62 H62 0.9500 .
C63 H63 0.9500 .
O4 C64 1.437(17) .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C56A C57A 1.197(14) .
C57A C58A 1.436(12) .
C58A C59A 1.3900 .
C58A C63A 1.3900 .
C59A C60A 1.3900 .
C59A H59A 0.9500 .
C60A C61A 1.3900 .
C60A H60A 0.9500 .
C61A O4A 1.365(14) .
C61A C62A 1.3900 .
C62A C63A 1.3900 .
C62A H62A 0.9500 .
C63A H63A 0.9500 .
O4A C64A 1.437(17) .
C64A H64D 0.9800 .
C64A H64E 0.9800 .
C64A H64F 0.9800 .
Ag1 Ag1 1.024(3) 4
Ag1 N1 2.077(11) .
Ag1 N2 2.108(9) 1_665
Ag1 N1 2.210(12) 4
Ag1 C66 2.722(16) .
C71 C72 1.3900 .
C71 C76 1.3900 .
C71 Ag3 2.507(18) .
C71 H71 1.0000 .
C72 C73 1.3900 .
C72 H72 0.9500 .
C73 C74 1.3900 .
C73 H73 0.9500 .
C74 C75 1.3900 .
C74 H74 0.9500 .
C75 C76 1.3900 .
C75 H75 0.9500 .
C76 H76 0.9500 .
Ag2 Ag2 1.352(3) 6
Ag2 N4 2.090(12) 1_565
Ag2 N3 2.109(14) .
Ag2 N4 2.265(14) 6_565
Ag2 N3 2.427(14) 6
Ag2 C87 2.890(14) .
C71A C72A 1.3900 .
C71A C76A 1.3900 .
C71A Ag4 2.440(18) .
C71A H71A 1.0000 .
C72A C73A 1.3900 .
C72A H72A 0.9500 .
C73A C74A 1.3900 .
C73A H73A 0.9500 .
C74A C75A 1.3900 .
C74A H74A 0.9500 .
C75A C76A 1.3900 .
C75A H75A 0.9500 .
C76A Ag4 2.634(18) .
C76A H76A 1.0000 .
Ag3 C78 2.377(17) .
Ag3 C83 2.388(12) .
Ag3 C77 2.464(18) .
C77 C78 1.3900 .
C77 C82 1.3900 .
C77 H77 1.0000 .
C78 C79 1.3900 .
C78 H78 1.0000 .
C79 C80 1.3900 .
C79 H79 0.9500 .
C80 C81 1.3900 .
C80 H80 0.9500 .
C81 C82 1.3900 .
C81 H81 0.9500 .
C82 H82 0.9500 .
Ag4 C85A 2.429(16) .
Ag4 C77A 2.43(2) .
Ag4 C86A 2.626(17) .
Ag4 C78A 2.70(2) .
C77A C78A 1.3900 .
C77A C82A 1.3900 .
C77A H77A 1.0000 .
C78A C79A 1.3900 .
C78A H78A 0.9500 .
C79A C80A 1.3900 .
C79A H79A 0.9500 .
C80A C81A 1.3900 .
C80A H80A 0.9500 .
C81A C82A 1.3900 .
C81A H81A 0.9500 .
C82A H82A 0.9500 .
Sb2 F5 1.828(6) .
Sb2 F2 1.837(7) .
Sb2 F6 1.840(5) .
Sb2 F1 1.848(6) .
Sb2 F4 1.859(7) .
Sb2 F3 1.863(5) .
C83 C84 1.3900 .
C83 C88 1.3900 .
C83 H83 1.0000 .
C84 C85 1.3900 .
C84 H84 0.9500 .
C85 C86 1.3900 .
C85 H85 0.9500 .
C86 C87 1.3900 .
C86 H86 0.9500 .
C87 C88 1.3900 .
C87 H87 0.9500 .
C88 H88 0.9500 .
Sb1 F11 1.832(6) .
Sb1 F9 1.838(6) .
Sb1 F12 1.844(8) .
Sb1 F7 1.850(6) .
Sb1 F10 1.854(6) .
Sb1 F8 1.863(7) .
C83A C84A 1.3900 .
C83A C88A 1.3900 .
C83A H83A 0.9500 .
C84A C85A 1.3900 .
C84A H84A 0.9500 .
C85A C86A 1.3900 .
C85A H85A 0.9500 .
C86A C87A 1.3900 .
C86A H86A 0.9500 .
C87A C88A 1.3900 .
C87A H87A 0.9500 .
C88A H88A 0.9500 .
N1 N1 0.56(3) 4
N1 C1 1.233(19) 4
N1 Ag1 2.210(12) 4
N2 Ag1 2.108(9) 1_445
N2 Ag1 2.108(9) 4_445
N3 N3 1.07(3) 6
N3 C46 1.49(2) 6
N3 Ag2 2.427(14) 6
N4 N4 0.60(3) 6
N4 Ag2 2.090(12) 1_545
N4 Ag2 2.265(14) 6_545
C65 C66 1.3900 .
C65 C70 1.3900 .
C65 H65 0.9500 .
C66 C67 1.3900 .
C66 H66 0.9500 .
C67 C68 1.3900 .
C67 H67 0.9500 .
C68 C69 1.3900 .
C68 H68 0.9500 .
C69 C70 1.3900 .
C69 H69 0.9500 .
C70 H70 0.9500 .
C65A C66A 1.3900 .
C65A C70A 1.3900 .
C65A H65A 0.9500 .
C66A C67A 1.3900 .
C66A H66A 0.9500 .
C67A C68A 1.3900 .
C67A H67A 0.9500 .
C68A C69A 1.3900 .
C68A H68A 0.9500 .
C69A C70A 1.3900 .
C69A H69A 0.9500 .
C70A H70A 0.9500 .
