#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:29:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179248 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/68/4316802.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_4316802
loop_
_publ_author_name
'Marc A. Little'
'Malcolm A. Halcrow'
'Lindsay P. Harding'
'Michaele J. Hardie'
_publ_section_title
;
 Ag(I) Organometallic Coordination Polymers and Capsule with Tris-Allyl
 Cyclotriveratrylene Derivatives
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9486
_journal_page_last               9496
_journal_paper_doi               10.1021/ic101211n
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C66 H72 Ag2 F12 N0 O12 Sb2'
_chemical_formula_weight         1744.48
_chemical_name_systematic
; 
 bis{tris(allyl)cyclotriguaiacylene}disilver(I) 
 hexafluoroantimonate 

;
_space_group_IT_number           145
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 32'
_symmetry_space_group_name_H-M   'P 32'
_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                   24.4020(8)
_cell_length_b                   24.4020(8)
_cell_length_c                   13.7461(6)
_cell_measurement_temperature    150(2)
_cell_volume                     7088.6(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'XSeed (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0575
_diffrn_reflns_av_sigmaI/netI    0.1013
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            52484
_diffrn_reflns_theta_full        26.31
_diffrn_reflns_theta_max         26.31
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    1.040
_exptl_absorpt_correction_T_max  0.9308
_exptl_absorpt_correction_T_min  0.6811
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.226
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2604
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.743
_refine_diff_density_min         -0.728
_refine_diff_density_rms         0.187
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.421
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     884
_refine_ls_number_reflns         16829
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      1.433
_refine_ls_R_factor_all          0.2028
_refine_ls_R_factor_gt           0.1113
_refine_ls_shift/su_max          7.800
_refine_ls_shift/su_mean         0.227
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2460
_refine_ls_wR_factor_ref         0.2717
_reflns_number_gt                8299
_reflns_number_total             16829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101211n_si_002_2.cif
_cod_data_source_block           complex3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_refine_ls_hydrogen_treatment' value 'no-ref' changed
to 'noref' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4316802
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, 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
Sb1 Sb 0.25547(14) 0.36024(11) -0.0435(3) 0.1252(10) Uani 0.50 1 d PD A 1
Sb2 Sb 0.51215(18) 0.52824(15) -0.6107(3) 0.1486(13) Uani 0.50 1 d PD B 2
Sb3 Sb 0.4942(3) 0.5185(3) -0.2928(5) 0.1202(18) Uani 0.25 1 d PD B 1
Sb4 Sb 0.4893(3) 0.5043(2) 0.0368(4) 0.1101(15) Uani 0.25 1 d PD . 2
Sb5 Sb 0.2506(2) 0.3471(2) -0.3568(4) 0.1143(18) Uani 0.25 1 d PD C 2
Sb6 Sb 0.2635(4) 0.3516(5) -0.6777(7) 0.180(3) Uani 0.25 1 d PD D 3
Ag1 Ag 0.90526(6) 0.23011(5) 0.09221(8) 0.0832(4) Uani 1 1 d . . .
Ag2 Ag 0.34404(5) 0.17950(6) -0.08704(8) 0.0886(4) Uani 1 1 d . . .
F1 F 0.3158(19) 0.3608(19) -0.103(3) 0.232(3) Uiso 0.50 1 d PD A 1
F2 F 0.266(2) 0.395(2) 0.039(3) 0.232(3) Uiso 0.50 1 d PD A 1
F3 F 0.2056(19) 0.2809(18) -0.019(3) 0.232(3) Uiso 0.50 1 d PD A 1
F4 F 0.1814(19) 0.350(2) -0.035(3) 0.232(3) Uiso 0.50 1 d PD A 1
F5 F 0.208(2) 0.3054(19) -0.168(3) 0.232(3) Uiso 0.50 1 d PD A 1
F6 F 0.277(2) 0.4276(18) -0.126(3) 0.232(3) Uiso 0.50 1 d PD A 1
F7 F 0.5268(14) 0.5416(13) -0.459(2) 0.232(3) Uiso 0.75 1 d PD . .
F8 F 0.5504(19) 0.4882(19) -0.597(3) 0.232(3) Uiso 0.50 1 d PD B 2
F9 F 0.5935(18) 0.6052(19) -0.613(3) 0.232(3) Uiso 0.50 1 d PD B 2
F10 F 0.5042(13) 0.5111(13) -0.809(2) 0.232(3) Uiso 0.75 1 d PD . .
F11 F 0.471(2) 0.5304(19) -0.513(3) 0.232(3) Uiso 0.50 1 d PD B 2
F12 F 0.4437(19) 0.4680(19) -0.619(3) 0.232(3) Uiso 0.50 1 d PD B 2
F13 F 0.445(4) 0.547(3) -0.231(6) 0.232(3) Uiso 0.25 1 d PD B 1
F14 F 0.444(4) 0.468(3) -0.230(6) 0.232(3) Uiso 0.25 1 d PD B 1
F15 F 0.466(4) 0.506(4) -0.163(5) 0.232(3) Uiso 0.25 1 d PD B 1
F16 F 0.550(3) 0.560(4) -0.233(6) 0.232(3) Uiso 0.25 1 d PD B 1
F17 F 0.553(4) 0.495(4) -0.277(6) 0.232(3) Uiso 0.25 1 d PD B 1
F19 F 0.436(4) 0.493(4) 0.112(5) 0.232(3) Uiso 0.25 1 d PD . 2
F20 F 0.465(4) 0.535(4) -0.067(5) 0.232(3) Uiso 0.25 1 d PD . 2
F21 F 0.514(4) 0.518(4) -0.117(5) 0.232(3) Uiso 0.25 1 d PD . 2
F22 F 0.532(4) 0.472(4) 0.046(6) 0.232(3) Uiso 0.25 1 d PD . 2
F23 F 0.447(4) 0.542(4) 0.079(6) 0.232(3) Uiso 0.25 1 d PD . 2
F25 F 0.213(7) 0.265(5) -0.429(14) 0.232(3) Uiso 0.25 1 d PD C 2
F26 F 0.213(4) 0.343(4) -0.448(5) 0.232(3) Uiso 0.25 1 d PD C 2
F27 F 0.185(8) 0.256(5) -0.329(13) 0.232(3) Uiso 0.25 1 d PD C 2
F28 F 0.276(4) 0.348(4) -0.229(5) 0.232(3) Uiso 0.25 1 d PD C 2
F29 F 0.199(4) 0.364(4) -0.273(6) 0.232(3) Uiso 0.25 1 d PD C 2
F30 F 0.291(4) 0.415(3) -0.404(6) 0.232(3) Uiso 0.25 1 d PD C 2
F31 F 0.222(4) 0.269(3) -0.700(6) 0.232(3) Uiso 0.25 1 d PD D 3
F32 F 0.203(4) 0.280(3) -0.618(7) 0.232(3) Uiso 0.25 1 d PD D 3
F33 F 0.345(3) 0.424(3) -0.745(6) 0.232(3) Uiso 0.25 1 d PD D 3
F34 F 0.248(4) 0.300(4) -0.545(5) 0.232(3) Uiso 0.25 1 d PD D 3
F35 F 0.239(4) 0.407(4) -0.745(6) 0.232(3) Uiso 0.25 1 d PD D 3
F36 F 0.286(4) 0.341(4) -0.915(6) 0.232(3) Uiso 0.25 1 d P E 3
O1 O 1.0210(5) 0.2203(4) 0.1604(8) 0.092(3) Uani 1 1 d . . .
O2 O 0.9054(4) 0.1339(4) 0.1643(8) 0.089(3) Uani 1 1 d . . .
O3 O 0.8165(5) -0.1891(5) 0.1715(7) 0.082(3) Uani 1 1 d . . .
O4 O 0.9044(5) -0.2190(4) 0.1696(7) 0.080(3) Uani 1 1 d . . .
O5 O 1.2097(4) 0.0037(4) 0.1288(6) 0.074(2) Uani 1 1 d . . .
O6 O 1.2445(4) 0.1218(5) 0.1212(6) 0.070(2) Uani 1 1 d . . .
O7 O 0.7154(5) 0.1598(5) -0.0876(6) 0.072(2) Uani 1 1 d . . .
O8 O 0.8286(5) 0.2590(5) -0.0968(6) 0.076(3) Uani 1 1 d . . .
O9 O 0.8365(5) 0.5496(4) -0.1155(7) 0.083(3) Uani 1 1 d . . .
O10 O 0.7321(4) 0.5524(5) -0.1358(7) 0.083(3) Uani 1 1 d . . .
O11 O 0.4549(4) 0.2892(5) -0.1445(9) 0.098(3) Uani 1 1 d . . .
O12 O 0.4431(6) 0.1782(7) -0.1300(10) 0.100(4) Uani 1 1 d . . .
C1 C 1.0345(6) 0.1046(7) 0.3184(8) 0.066(4) Uani 1 1 d . . .
C2 C 1.0513(7) 0.1590(6) 0.2682(9) 0.064(3) Uani 1 1 d . . .
H2 H 1.0943 0.1920 0.2687 0.077 Uiso 1 1 calc R . .
C3 C 1.0076(7) 0.1669(6) 0.2172(10) 0.073(4) Uani 1 1 d . . .
C4 C 0.9437(6) 0.1190(7) 0.2198(10) 0.063(4) Uani 1 1 d . . .
C5 C 0.9274(6) 0.0671(6) 0.2704(9) 0.056(3) Uani 1 1 d . . .
H5 H 0.8841 0.0348 0.2707 0.067 Uiso 1 1 calc R . .
C6 C 0.9700(6) 0.0574(6) 0.3227(8) 0.061(3) Uani 1 1 d . . .
C7 C 0.9454(7) -0.0039(6) 0.3817(9) 0.069(4) Uani 1 1 d . . .
H7A H 0.9748 0.0043 0.4366 0.083 Uiso 1 1 calc R . .
H7B H 0.9039 -0.0146 0.4099 0.083 Uiso 1 1 calc R . .
C8 C 0.9378(7) -0.0598(7) 0.3277(8) 0.068(4) Uani 1 1 d . . .
C9 C 0.8816(6) -0.0957(6) 0.2768(9) 0.063(3) Uani 1 1 d . . .
H9 H 0.8495 -0.0845 0.2785 0.076 Uiso 1 1 calc R . .
C10 C 0.8724(7) -0.1496(8) 0.2216(10) 0.079(4) Uani 1 1 d . . .
C11 C 0.9188(8) -0.1666(7) 0.2207(11) 0.067(4) Uani 1 1 d . . .
C12 C 0.9734(7) -0.1296(6) 0.2684(10) 0.068(4) Uani 1 1 d . . .
H12 H 1.0064 -0.1394 0.2633 0.082 Uiso 1 1 calc R . .
C13 C 0.9841(6) -0.0778(6) 0.3247(9) 0.057(3) Uani 1 1 d . . .
C14 C 1.0457(6) -0.0415(7) 0.3759(9) 0.072(4) Uani 1 1 d . . .
H14A H 1.0581 -0.0715 0.4023 0.086 Uiso 1 1 calc R . .
H14B H 1.0405 -0.0187 0.4314 0.086 Uiso 1 1 calc R . .
C15 C 1.0996(6) 0.0071(7) 0.3089(8) 0.054(3) Uani 1 1 d . . .
C16 C 1.1270(6) -0.0178(6) 0.2548(8) 0.065(4) Uani 1 1 d . . .
H16 H 1.1143 -0.0614 0.2596 0.078 Uiso 1 1 calc R . .
C17 C 1.1772(6) 0.0240(7) 0.1878(8) 0.064(4) Uani 1 1 d . . .
C18 C 1.1940(6) 0.0864(6) 0.1816(10) 0.060(4) Uani 1 1 d . . .
C19 C 1.1611(6) 0.1067(6) 0.2414(8) 0.056(3) Uani 1 1 d . . .
H19 H 1.1713 0.1496 0.2372 0.068 Uiso 1 1 calc R . .
C20 C 1.1142(6) 0.0671(7) 0.3070(8) 0.057(3) Uani 1 1 d . . .
C21 C 1.0874(6) 0.0982(6) 0.3671(8) 0.064(3) Uani 1 1 d . . .
H21A H 1.1220 0.1410 0.3850 0.076 Uiso 1 1 calc R . .
H21B H 1.0707 0.0738 0.4281 0.076 Uiso 1 1 calc R . .
C22 C 1.0882(8) 0.2669(7) 0.1527(17) 0.149(10) Uani 1 1 d . . .
H22A H 1.0999 0.2986 0.2042 0.224 Uiso 1 1 calc R . .
H22B H 1.0968 0.2876 0.0890 0.224 Uiso 1 1 calc R . .
H22C H 1.1131 0.2457 0.1598 0.224 Uiso 1 1 calc R . .
C23 C 0.8357(6) 0.0860(7) 0.1691(10) 0.075(4) Uani 1 1 d . . .
H23A H 0.8207 0.0767 0.2372 0.089 Uiso 1 1 calc R . .
H23B H 0.8260 0.0461 0.1360 0.089 Uiso 1 1 calc R . .
C24 C 0.8065(6) 0.1199(6) 0.1152(13) 0.078(4) Uani 1 1 d . . .
H24 H 0.7813 0.1325 0.1512 0.093 Uiso 1 1 calc R . .
C25 C 0.8145(9) 0.1328(8) 0.0198(13) 0.108(7) Uani 1 1 d . . .
H25A H 0.8394 0.1207 -0.0178 0.129 Uiso 1 1 calc R . .
H25B H 0.7952 0.1541 -0.0102 0.129 Uiso 1 1 calc R . .
C26 C 0.7712(7) -0.1697(7) 0.1705(11) 0.091(5) Uani 1 1 d . . .
H26A H 0.7529 -0.1748 0.2356 0.136 Uiso 1 1 calc R . .
H26B H 0.7377 -0.1955 0.1240 0.136 Uiso 1 1 calc R . .
H26C H 0.7914 -0.1251 0.1513 0.136 Uiso 1 1 calc R . .
C27 C 0.9538(7) -0.2332(6) 0.1566(10) 0.074(4) Uani 1 1 d . . .
H27A H 0.9743 -0.2312 0.2197 0.089 Uiso 1 1 calc R . .
H27B H 0.9862 -0.2025 0.1115 0.089 Uiso 1 1 calc R . .
C28 C 0.9238(9) -0.3002(9) 0.1144(12) 0.095(6) Uani 1 1 d . . .
H28 H 0.9465 -0.3223 0.1194 0.114 Uiso 1 1 calc R . .
C29 C 0.8709(11) -0.3273(8) 0.0738(12) 0.093(5) Uani 1 1 d . . .
H29A H 0.8472 -0.3063 0.0678 0.112 Uiso 1 1 calc R . .
H29B H 0.8545 -0.3690 0.0488 0.112 Uiso 1 1 calc R . .
C30 C 1.1878(8) -0.0651(8) 0.1230(12) 0.101(5) Uani 1 1 d . . .
H30A H 1.1937 -0.0799 0.1863 0.151 Uiso 1 1 calc R . .
H30B H 1.2125 -0.0723 0.0736 0.151 Uiso 1 1 calc R . .
H30C H 1.1429 -0.0884 0.1054 0.151 Uiso 1 1 calc R . .
C31 C 1.2628(7) 0.1857(6) 0.1085(10) 0.076(4) Uani 1 1 d DU . .
H31A H 1.2593 0.2048 0.1700 0.092 Uiso 1 1 calc R . .
H31B H 1.2369 0.1910 0.0579 0.092 Uiso 1 1 calc R . .
C33 C 1.3468(11) 0.2609(12) 0.0327(17) 0.143(8) Uani 1 1 d DU . .
H32A H 1.3167 0.2742 0.0225 0.172 Uiso 1 1 calc R . .
H32B H 1.3884 0.2852 0.0072 0.172 Uiso 1 1 calc R . .
C32 C 1.3329(10) 0.2155(7) 0.0759(12) 0.131(8) Uani 1 1 d DU . .
H33 H 1.3600 0.1989 0.0894 0.158 Uiso 1 1 calc R . .
C34 C 0.7448(6) 0.3068(7) -0.2748(9) 0.062(3) Uani 1 1 d . . .
C35 C 0.7932(6) 0.3096(6) -0.2146(9) 0.064(3) Uani 1 1 d . . .
H35 H 0.8343 0.3458 -0.2177 0.077 Uiso 1 1 calc R . .
C36 C 0.7822(7) 0.2610(7) -0.1511(8) 0.065(3) Uani 1 1 d . . .
C37 C 0.7236(6) 0.2070(7) -0.1505(9) 0.061(3) Uani 1 1 d . . .
C38 C 0.6761(6) 0.2025(6) -0.2136(8) 0.060(3) Uani 1 1 d . . .
H38 H 0.6364 0.1645 -0.2153 0.071 Uiso 1 1 calc R . .
C39 C 0.6861(6) 0.2520(8) -0.2729(8) 0.071(4) Uani 1 1 d . . .
C40 C 0.6307(6) 0.2404(8) -0.3393(9) 0.075(4) Uani 1 1 d . . .
H40A H 0.6477 0.2664 -0.3988 0.090 Uiso 1 1 calc R . .
H40B H 0.6078 0.1954 -0.3592 0.090 Uiso 1 1 calc R . .
C41 C 0.5848(6) 0.2562(8) -0.2911(8) 0.071(4) Uani 1 1 d . . .
C42 C 0.5371(7) 0.2094(8) -0.2360(10) 0.082(4) Uani 1 1 d . . .
H42 H 0.5337 0.1689 -0.2313 0.099 Uiso 1 1 calc R . .
C43 C 0.4925(6) 0.2213(9) -0.1855(12) 0.089(5) Uani 1 1 d . . .
C44 C 0.4965(6) 0.2819(7) -0.1957(11) 0.072(4) Uani 1 1 d . . .
C45 C 0.5467(8) 0.3257(7) -0.2504(11) 0.080(5) Uani 1 1 d . . .
H45 H 0.5523 0.3671 -0.2544 0.096 Uiso 1 1 calc R . .
C46 C 0.5880(6) 0.3151(8) -0.2982(10) 0.071(4) Uani 1 1 d . . .
C47 C 0.6401(6) 0.3692(7) -0.3591(10) 0.076(4) Uani 1 1 d . . .
H47A H 0.6559 0.3512 -0.4089 0.091 Uiso 1 1 calc R . .
H47B H 0.6218 0.3921 -0.3933 0.091 Uiso 1 1 calc R . .
C48 C 0.6950(6) 0.4155(7) -0.2952(9) 0.063(3) Uani 1 1 d . . .
C49 C 0.6870(7) 0.4589(8) -0.2430(11) 0.082(5) Uani 1 1 d . . .
H49 H 0.6483 0.4591 -0.2488 0.098 Uiso 1 1 calc R . .
C50 C 0.7332(8) 0.5020(7) -0.1830(10) 0.075(4) Uani 1 1 d . . .
C51 C 0.7933(7) 0.5045(7) -0.1763(12) 0.078(5) Uani 1 1 d . . .
C52 C 0.8009(7) 0.4582(7) -0.2282(10) 0.074(4) Uani 1 1 d . . .
H52 H 0.8395 0.4577 -0.2244 0.088 Uiso 1 1 calc R . .
C53 C 0.7504(7) 0.4133(6) -0.2851(9) 0.071(4) Uani 1 1 d . . .
C54 C 0.7623(6) 0.3663(6) -0.3355(8) 0.063(3) Uani 1 1 d . . .
H54A H 0.8077 0.3869 -0.3528 0.076 Uiso 1 1 calc R . .
H54B H 0.7377 0.3533 -0.3968 0.076 Uiso 1 1 calc R . .
C55 C 0.6574(9) 0.1070(9) -0.0814(10) 0.091(5) Uani 1 1 d . . .
H55A H 0.6378 0.0962 -0.1460 0.136 Uiso 1 1 calc R . .
H55B H 0.6307 0.1148 -0.0370 0.136 Uiso 1 1 calc R . .
H55C H 0.6620 0.0718 -0.0567 0.136 Uiso 1 1 calc R . .
C56 C 0.8904(7) 0.3063(7) -0.1002(9) 0.070(4) Uani 1 1 d . . .
H56A H 0.8985 0.3392 -0.0512 0.084 Uiso 1 1 calc R . .
H56B H 0.9008 0.3262 -0.1654 0.084 Uiso 1 1 calc R . .
C57 C 0.9297(8) 0.2751(9) -0.0784(11) 0.093(5) Uani 1 1 d . . .
H57 H 0.9193 0.2358 -0.1077 0.111 Uiso 1 1 calc R . .
C58 C 0.9796(10) 0.3039(11) -0.0167(12) 0.127(7) Uani 1 1 d . . .
H58A H 0.9898 0.3431 0.0125 0.152 Uiso 1 1 calc R . .
H58B H 1.0044 0.2847 -0.0026 0.152 Uiso 1 1 calc R . .
C59 C 0.4557(9) 0.3445(10) -0.1513(19) 0.152(10) Uani 1 1 d . . .
H59A H 0.4981 0.3793 -0.1351 0.228 Uiso 1 1 calc R . .
H59B H 0.4248 0.3446 -0.1059 0.228 Uiso 1 1 calc R . .
H59C H 0.4449 0.3500 -0.2179 0.228 Uiso 1 1 calc R . .
C60 C 0.4234(11) 0.1194(19) -0.1368(19) 0.177(14) Uani 1 1 d . . .
H60A H 0.4462 0.1074 -0.0895 0.212 Uiso 1 1 calc R . .
H60B H 0.4321 0.1096 -0.2029 0.212 Uiso 1 1 calc R . .
C61 C 0.3465(10) 0.0782(10) -0.1150(18) 0.136(8) Uani 1 1 d . . .
H61 H 0.3192 0.0565 -0.1680 0.163 Uiso 1 1 calc R . .
C62 C 0.3193(14) 0.0731(12) -0.0242(16) 0.159(10) Uani 1 1 d . . .
H62A H 0.3452 0.0942 0.0303 0.191 Uiso 1 1 calc R . .
H62B H 0.2746 0.0486 -0.0167 0.191 Uiso 1 1 calc R . .
C63 C 0.8933(9) 0.5506(6) -0.1110(13) 0.099(5) Uani 1 1 d . . .
H63A H 0.8855 0.5074 -0.1024 0.148 Uiso 1 1 calc R . .
H63B H 0.9181 0.5768 -0.0559 0.148 Uiso 1 1 calc R . .
H63C H 0.9169 0.5684 -0.1715 0.148 Uiso 1 1 calc R . .
C64 C 0.6722(9) 0.5474(8) -0.1366(14) 0.103(5) Uani 1 1 d . . .
H64A H 0.6440 0.5157 -0.0885 0.123 Uiso 1 1 calc R . .
H64B H 0.6527 0.5345 -0.2019 0.123 Uiso 1 1 calc R . .
C65 C 0.6837(7) 0.6154(7) -0.1095(11) 0.087(5) Uani 1 1 d . . .
H65 H 0.6517 0.6258 -0.1214 0.105 Uiso 1 1 calc R . .
C66 C 0.7368(9) 0.6566(8) -0.0710(11) 0.089(5) Uani 1 1 d . . .
H66A H 0.7688 0.6460 -0.0591 0.107 Uiso 1 1 calc R . .
H66B H 0.7439 0.6974 -0.0545 0.107 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
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
F2 Sb1 F4 83(2) . . ?
F2 Sb1 F1 121(2) . . ?
F4 Sb1 F1 154(2) . . ?
F2 Sb1 F3 110(2) . . ?
F4 Sb1 F3 73.5(19) . . ?
F1 Sb1 F3 103(2) . . ?
F2 Sb1 F6 94(2) . . ?
F4 Sb1 F6 89(2) . . ?
F1 Sb1 F6 80.7(18) . . ?
F3 Sb1 F6 147.6(19) . . ?
F2 Sb1 F5 159(2) . . ?
F4 Sb1 F5 76.3(18) . . ?
F1 Sb1 F5 78.9(18) . . ?
F3 Sb1 F5 66.2(17) . . ?
F6 Sb1 F5 83.5(17) . . ?
F12 Sb2 F8 96(2) . . ?
F12 Sb2 F11 74(2) . . ?
F8 Sb2 F11 116(2) . . ?
F12 Sb2 F9 174(2) . . ?
F8 Sb2 F9 88.1(19) . . ?
F11 Sb2 F9 108.5(19) . . ?
F12 Sb2 F7 103.6(17) . . ?
F8 Sb2 F7 82.8(16) . . ?
F11 Sb2 F7 43.1(15) . . ?
F9 Sb2 F7 81.4(15) . . ?
F16 Sb3 F14 110(4) . . ?
F16 Sb3 F17 63(4) . . ?
F14 Sb3 F17 96(4) . . ?
F16 Sb3 F15 74(3) . . ?
F14 Sb3 F15 41(3) . . ?
F17 Sb3 F15 97(4) . . ?
F16 Sb3 F13 92(4) . . ?
F14 Sb3 F13 69(3) . . ?
F17 Sb3 F13 146(4) . . ?
F15 Sb3 F13 51(3) . . ?
F16 Sb3 F7 107(3) . . ?
F14 Sb3 F7 141(4) . . ?
F17 Sb3 F7 88(3) . . ?
F15 Sb3 F7 174(3) . . ?
F13 Sb3 F7 123(3) . . ?
F22 Sb4 F19 123(4) . . ?
F22 Sb4 F23 156(4) . . ?
F19 Sb4 F23 40(3) . . ?
F22 Sb4 F20 133(4) . . ?
F19 Sb4 F20 100(4) . . ?
F23 Sb4 F20 70(4) . . ?
F22 Sb4 F21 88(3) . . ?
F19 Sb4 F21 143(4) . . ?
F23 Sb4 F21 114(3) . . ?
F20 Sb4 F21 45(3) . . ?
F22 Sb4 F10 80(3) . 1_556 ?
F19 Sb4 F10 57(3) . 1_556 ?
F23 Sb4 F10 76(3) . 1_556 ?
F20 Sb4 F10 145(3) . 1_556 ?
F21 Sb4 F10 158(3) . 1_556 ?
F27 Sb5 F26 88(7) . . ?
F27 Sb5 F30 165(7) . . ?
F26 Sb5 F30 77(4) . . ?
F27 Sb5 F28 85(6) . . ?
F26 Sb5 F28 164(4) . . ?
F30 Sb5 F28 110(4) . . ?
F27 Sb5 F29 83(6) . . ?
F26 Sb5 F29 94(4) . . ?
F30 Sb5 F29 98(4) . . ?
F28 Sb5 F29 71(4) . . ?
F27 Sb5 F25 44(9) . . ?
F26 Sb5 F25 65(7) . . ?
F30 Sb5 F25 126(6) . . ?
F28 Sb5 F25 118(7) . . ?
F29 Sb5 F25 120(6) . . ?
F31 Sb6 F32 42(3) . . ?
F31 Sb6 F35 120(3) . . ?
F32 Sb6 F35 119(4) . . ?
F31 Sb6 F34 70(4) . . ?
F32 Sb6 F34 40(3) . . ?
F35 Sb6 F34 141(3) . . ?
F31 Sb6 F33 130(4) . . ?
F32 Sb6 F33 167(4) . . ?
F35 Sb6 F33 73(3) . . ?
F34 Sb6 F33 133(3) . . ?
C58 Ag1 C66 115.4(7) . 3_665 ?
C58 Ag1 C25 116.9(7) . . ?
C66 Ag1 C25 127.4(7) 3_665 . ?
C58 Ag1 C57 32.0(5) . . ?
C66 Ag1 C57 141.3(6) 3_665 . ?
C25 Ag1 C57 87.0(6) . . ?
C58 Ag1 O2 126.7(5) . . ?
C66 Ag1 O2 82.3(5) 3_665 . ?
C25 Ag1 O2 71.9(4) . . ?
C57 Ag1 O2 130.6(5) . . ?
C58 Ag1 C24 147.0(6) . . ?
C66 Ag1 C24 97.6(6) 3_665 . ?
C25 Ag1 C24 30.5(5) . . ?
C57 Ag1 C24 117.4(6) . . ?
O2 Ag1 C24 54.8(4) . . ?
C58 Ag1 C65 92.3(6) . 3_665 ?
C66 Ag1 C65 29.5(5) 3_665 3_665 ?
C25 Ag1 C65 141.9(6) . 3_665 ?
C57 Ag1 C65 112.7(6) . 3_665 ?
O2 Ag1 C65 111.1(4) . 3_665 ?
C24 Ag1 C65 118.8(5) . 3_665 ?
C32 Ag2 C29 137.9(8) 1_455 2_544 ?
C32 Ag2 C62 92.5(7) 1_455 . ?
C29 Ag2 C62 122.8(7) 2_544 . ?
C32 Ag2 O12 119.8(7) 1_455 . ?
C29 Ag2 O12 91.5(6) 2_544 . ?
C62 Ag2 O12 78.6(7) . . ?
C32 Ag2 C61 123.0(7) 1_455 . ?
C29 Ag2 C61 97.0(7) 2_544 . ?
C62 Ag2 C61 32.0(7) . . ?
O12 Ag2 C61 57.1(6) . . ?
C32 Ag2 C33 26.4(5) 1_455 1_455 ?
C29 Ag2 C33 114.5(7) 2_544 1_455 ?
C62 Ag2 C33 118.9(8) . 1_455 ?
O12 Ag2 C33 120.8(6) . 1_455 ?
C61 Ag2 C33 148.5(8) . 1_455 ?
C32 Ag2 C28 110.0(7) 1_455 2_544 ?
C29 Ag2 C28 28.3(5) 2_544 2_544 ?
C62 Ag2 C28 137.4(7) . 2_544 ?
O12 Ag2 C28 116.2(5) . 2_544 ?
C61 Ag2 C28 121.1(6) . 2_544 ?
C33 Ag2 C28 88.9(6) 1_455 2_544 ?
F11 F7 Sb2 52.6(19) . . ?
F11 F7 Sb3 106(2) . . ?
Sb2 F7 Sb3 153.6(15) . . ?
F7 F11 Sb2 84(2) . . ?
F15 F14 Sb3 86(5) . . ?
F14 F15 Sb3 53(4) . . ?
F23 F19 Sb4 79(5) . . ?
F21 F20 Sb4 79(4) . . ?
F20 F21 Sb4 56(3) . . ?
F19 F23 Sb4 60(4) . . ?
F27 F25 Sb5 68(7) . . ?
Sb5 F27 F25 68(6) . . ?
F32 F31 Sb6 72(5) . . ?
F31 F32 F34 113(8) . . ?
F31 F32 Sb6 66(4) . . ?
F34 F32 Sb6 82(4) . . ?
F32 F34 Sb6 58(3) . . ?
C3 O1 C22 114.2(11) . . ?
C4 O2 C23 114.7(10) . . ?
C4 O2 Ag1 140.0(8) . . ?
C23 O2 Ag1 102.1(7) . . ?
C10 O3 C26 115.8(12) . . ?
C11 O4 C27 116.7(11) . . ?
C17 O5 C30 119.2(11) . . ?
C18 O6 C31 117.4(10) . . ?
C55 O7 C37 118.9(11) . . ?
C56 O8 C36 122.0(11) . . ?
C51 O9 C63 114.1(13) . . ?
C64 O10 C50 113.2(12) . . ?
C59 O11 C44 118.2(14) . . ?
C60 O12 C43 121.4(16) . . ?
C60 O12 Ag2 102.0(12) . . ?
C43 O12 Ag2 127.3(11) . . ?
C2 C1 C6 119.0(13) . . ?
C2 C1 C21 117.5(12) . . ?
C6 C1 C21 123.5(13) . . ?
C3 C2 C1 121.3(13) . . ?
C2 C3 C4 119.2(13) . . ?
C2 C3 O1 125.3(13) . . ?
C4 C3 O1 115.4(13) . . ?
C5 C4 O2 128.5(13) . . ?
C5 C4 C3 119.2(12) . . ?
O2 C4 C3 112.3(13) . . ?
C4 C5 C6 123.3(12) . . ?
C5 C6 C1 117.8(12) . . ?
C5 C6 C7 118.8(12) . . ?
C1 C6 C7 123.4(13) . . ?
C8 C7 C6 116.1(10) . . ?
C9 C8 C13 118.9(13) . . ?
C9 C8 C7 117.5(13) . . ?
C13 C8 C7 123.6(13) . . ?
C8 C9 C10 119.7(14) . . ?
C11 C10 O3 116.9(15) . . ?
C11 C10 C9 120.1(14) . . ?
O3 C10 C9 122.9(14) . . ?
O4 C11 C12 126.3(13) . . ?
O4 C11 C10 115.2(15) . . ?
C12 C11 C10 118.5(14) . . ?
C11 C12 C13 123.5(13) . . ?
C12 C13 C8 119.1(12) . . ?
C12 C13 C14 118.6(12) . . ?
C8 C13 C14 122.2(13) . . ?
C13 C14 C15 113.0(10) . . ?
C20 C15 C16 125.0(12) . . ?
C20 C15 C14 120.8(11) . . ?
C16 C15 C14 114.2(12) . . ?
C15 C16 C17 118.1(12) . . ?
C18 C17 O5 117.0(13) . . ?
C18 C17 C16 119.7(12) . . ?
O5 C17 C16 123.3(13) . . ?
C17 C18 O6 114.3(13) . . ?
C17 C18 C19 116.8(13) . . ?
O6 C18 C19 128.7(11) . . ?
C20 C19 C18 123.4(12) . . ?
C15 C20 C19 117.0(11) . . ?
C15 C20 C21 127.9(12) . . ?
C19 C20 C21 115.2(12) . . ?
C20 C21 C1 114.9(10) . . ?
O2 C23 C24 102.1(11) . . ?
C25 C24 C23 123.3(13) . . ?
C25 C24 Ag1 71.6(9) . . ?
C23 C24 Ag1 100.3(8) . . ?
C24 C25 Ag1 77.9(9) . . ?
O4 C27 C28 107.3(12) . . ?
C29 C28 C27 123.4(17) . . ?
C29 C28 Ag2 70.7(10) . 3_655 ?
C27 C28 Ag2 91.7(9) . 3_655 ?
C28 C29 Ag2 81.0(12) . 3_655 ?
O6 C31 C32 102.7(12) . . ?
C32 C33 Ag2 72.6(14) . 1_655 ?
C33 C32 C31 109(2) . . ?
C33 C32 Ag2 81.0(14) . 1_655 ?
C31 C32 Ag2 112.7(9) . 1_655 ?
C39 C34 C35 118.1(12) . . ?
C39 C34 C54 125.8(11) . . ?
C35 C34 C54 116.1(11) . . ?
C36 C35 C34 121.8(12) . . ?
C37 C36 O8 116.1(12) . . ?
C37 C36 C35 119.1(12) . . ?
O8 C36 C35 124.1(13) . . ?
C36 C37 O7 117.0(12) . . ?
C36 C37 C38 119.4(12) . . ?
O7 C37 C38 123.7(12) . . ?
C39 C38 C37 121.4(12) . . ?
C38 C39 C34 120.0(12) . . ?
C38 C39 C40 116.0(13) . . ?
C34 C39 C40 123.8(13) . . ?
C41 C40 C39 112.9(10) . . ?
C42 C41 C46 118.7(14) . . ?
C42 C41 C40 117.2(16) . . ?
C46 C41 C40 124.2(14) . . ?
C41 C42 C43 120.5(16) . . ?
O12 C43 C44 115.3(14) . . ?
O12 C43 C42 125.3(16) . . ?
C44 C43 C42 119.4(14) . . ?
O11 C44 C45 129.3(15) . . ?
O11 C44 C43 115.1(14) . . ?
C45 C44 C43 115.3(14) . . ?
C44 C45 C46 125.7(15) . . ?
C45 C46 C41 120.2(14) . . ?
C45 C46 C47 118.7(16) . . ?
C41 C46 C47 121.1(14) . . ?
C48 C47 C46 111.3(10) . . ?
C49 C48 C53 119.7(13) . . ?
C49 C48 C47 117.4(13) . . ?
C53 C48 C47 122.8(14) . . ?
C50 C49 C48 121.8(14) . . ?
C49 C50 O10 125.6(15) . . ?
C49 C50 C51 120.1(15) . . ?
O10 C50 C51 113.5(14) . . ?
O9 C51 C50 115.7(16) . . ?
O9 C51 C52 126.2(13) . . ?
C50 C51 C52 118.0(14) . . ?
C53 C52 C51 119.0(14) . . ?
C48 C53 C52 121.1(15) . . ?
C48 C53 C54 123.6(12) . . ?
C52 C53 C54 115.3(13) . . ?
C53 C54 C34 113.9(9) . . ?
O8 C56 C57 106.0(12) . . ?
C58 C57 C56 119.4(17) . . ?
C58 C57 Ag1 66.5(10) . . ?
C56 C57 Ag1 109.2(9) . . ?
C57 C58 Ag1 81.5(12) . . ?
O12 C60 C61 110(2) . . ?
C62 C61 C60 124(2) . . ?
C62 C61 Ag2 73.0(14) . . ?
C60 C61 Ag2 90.4(16) . . ?
C61 C62 Ag2 75.0(13) . . ?
O10 C64 C65 105.9(14) . . ?
C66 C65 C64 119.7(16) . . ?
C66 C65 Ag1 68.5(8) . 2_654 ?
C64 C65 Ag1 95.4(9) . 2_654 ?
C65 C66 Ag1 82.0(10) . 2_654 ?
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
Sb1 F2 1.37(4) . ?
Sb1 F4 1.70(4) . ?
Sb1 F1 1.68(4) . ?
Sb1 F3 1.73(4) . ?
Sb1 F6 1.84(4) . ?
Sb1 F5 2.13(4) . ?
Sb2 F12 1.58(4) . ?
Sb2 F8 1.67(4) . ?
Sb2 F11 1.69(4) . ?
Sb2 F9 1.93(4) . ?
Sb2 F7 2.11(3) . ?
Sb3 F16 1.48(7) . ?
Sb3 F14 1.50(7) . ?
Sb3 F17 1.81(7) . ?
Sb3 F15 1.88(7) . ?
Sb3 F13 1.87(6) . ?
Sb3 F7 2.39(3) . ?
Sb4 F22 1.58(6) . ?
Sb4 F19 1.58(6) . ?
Sb4 F23 1.78(7) . ?
Sb4 F20 1.84(6) . ?
Sb4 F21 2.18(6) . ?
Sb4 F10 2.15(3) 1_556 ?
Sb5 F27 2.02(9) . ?
Sb5 F26 1.53(7) . ?
Sb5 F30 1.58(7) . ?
Sb5 F28 1.86(6) . ?
Sb5 F29 1.90(6) . ?
Sb5 F25 2.01(11) . ?
Sb6 F31 1.76(7) . ?
Sb6 F32 1.83(7) . ?
Sb6 F35 1.96(7) . ?
Sb6 F34 2.13(6) . ?
Sb6 F33 2.10(6) . ?
Ag1 C58 2.35(2) . ?
Ag1 C66 2.442(14) 3_665 ?
Ag1 C25 2.505(15) . ?
Ag1 C57 2.530(15) . ?
Ag1 O2 2.550(10) . ?
Ag1 C24 2.581(14) . ?
Ag1 C65 2.599(13) 3_665 ?
Ag2 C32 2.469(18) 1_455 ?
Ag2 C29 2.487(14) 2_544 ?
Ag2 C62 2.51(2) . ?
Ag2 O12 2.505(13) . ?
Ag2 C61 2.53(2) . ?
Ag2 C33 2.56(2) 1_455 ?
Ag2 C28 2.602(17) 2_544 ?
F7 F11 1.45(4) . ?
F10 Sb4 2.15(3) 1_554 ?
F14 F15 1.23(10) . ?
F19 F23 1.17(9) . ?
F20 F21 1.58(11) . ?
F25 F27 1.5(3) . ?
F31 F32 1.29(10) . ?
F32 F34 1.39(9) . ?
O1 C3 1.411(17) . ?
O1 C22 1.460(19) . ?
O2 C4 1.388(15) . ?
O2 C23 1.509(16) . ?
O3 C10 1.397(17) . ?
O3 C26 1.403(17) . ?
O4 C11 1.342(16) . ?
O4 C27 1.422(17) . ?
O5 C17 1.387(14) . ?
O5 C30 1.489(18) . ?
O6 C18 1.374(15) . ?
O6 C31 1.403(16) . ?
O7 C55 1.359(19) . ?
O7 C37 1.371(15) . ?
O8 C56 1.367(16) . ?
O8 C36 1.377(15) . ?
O9 C51 1.364(17) . ?
O9 C63 1.376(19) . ?
O10 C64 1.403(19) . ?
O10 C50 1.404(17) . ?
O11 C59 1.34(2) . ?
O11 C44 1.318(16) . ?
O12 C60 1.27(3) . ?
O12 C43 1.368(19) . ?
C1 C2 1.364(18) . ?
C1 C6 1.414(18) . ?
C1 C21 1.529(18) . ?
C2 C3 1.369(19) . ?
C3 C4 1.407(18) . ?
C4 C5 1.319(17) . ?
C5 C6 1.379(17) . ?
C6 C7 1.535(18) . ?
C7 C8 1.481(18) . ?
C8 C9 1.391(18) . ?
C8 C13 1.402(18) . ?
C9 C10 1.44(2) . ?
C10 C11 1.39(2) . ?
C11 C12 1.349(19) . ?
C12 C13 1.391(18) . ?
C13 C14 1.485(18) . ?
C14 C15 1.557(18) . ?
C15 C20 1.323(17) . ?
C15 C16 1.332(17) . ?
C16 C17 1.463(18) . ?
C17 C18 1.368(17) . ?
C18 C19 1.400(18) . ?
C19 C20 1.397(17) . ?
C20 C21 1.478(17) . ?
C23 C24 1.53(2) . ?
C24 C25 1.34(2) . ?
C27 C28 1.53(2) . ?
C28 C29 1.25(2) . ?
C28 Ag2 2.602(17) 3_655 ?
C29 Ag2 2.487(14) 3_655 ?
C31 C32 1.55(2) . ?
C33 C32 1.15(2) . ?
C33 Ag2 2.56(2) 1_655 ?
C32 Ag2 2.469(18) 1_655 ?
C34 C39 1.388(19) . ?
C34 C35 1.415(18) . ?
C34 C54 1.538(18) . ?
C35 C36 1.386(18) . ?
C36 C37 1.378(18) . ?
C37 C38 1.407(17) . ?
C38 C39 1.375(18) . ?
C39 C40 1.535(17) . ?
C40 C41 1.508(19) . ?
C41 C42 1.38(2) . ?
C41 C46 1.40(2) . ?
C42 C43 1.44(2) . ?
C43 C44 1.44(2) . ?
C44 C45 1.38(2) . ?
C45 C46 1.33(2) . ?
C46 C47 1.54(2) . ?
C47 C48 1.527(19) . ?
C48 C49 1.37(2) . ?
C48 C53 1.387(19) . ?
C49 C50 1.37(2) . ?
C50 C51 1.44(2) . ?
C51 C52 1.42(2) . ?
C52 C53 1.408(18) . ?
C53 C54 1.487(19) . ?
C56 C57 1.52(2) . ?
C57 C58 1.36(2) . ?
C60 C61 1.65(3) . ?
C61 C62 1.39(3) . ?
C64 C65 1.58(2) . ?
C65 C66 1.29(2) . ?
C65 Ag1 2.599(13) 2_654 ?
C66 Ag1 2.442(14) 2_654 ?
