#------------------------------------------------------------------------------
#$Date: 2023-12-12 11:56:26 +0200 (Tue, 12 Dec 2023) $
#$Revision: 288243 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/62/7106275.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_7106275
loop_
_publ_author_name
'Mihai Raducan'
'Carles Rodriguez-Escrich'
'Xacobe C. Cambeiro'
'Eduardo C. Escudero-Adan'
'Miquel A. Pericas'
'Antonio M. Echavarren'
_publ_section_title
;
 A Multipurpose Gold(I) Precatalyst
;
_journal_name_full               Chem.Commun.
_journal_page_first              4893
_journal_paper_doi               10.1039/c1cc10293a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C15 H16.5 Ag0.75 F4.5 N1.5 O4.5 Sb0.75'
_chemical_formula_weight         547.51
_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                111.6910(10)
_cell_angle_beta                 107.540(2)
_cell_angle_gamma                97.984(2)
_cell_formula_units_Z            4
_cell_length_a                   12.2042(8)
_cell_length_b                   13.0515(4)
_cell_length_c                   13.7709(5)
_cell_measurement_reflns_used    2052
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      35.54
_cell_measurement_theta_min      3.16
_cell_volume                     1864.24(16)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28399
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         1.75
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    1.958
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.951
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1068
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.737
_refine_diff_density_min         -0.608
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         10737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0195
_refine_ls_R_factor_gt           0.0183
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0247P)²+0.8236P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0484
_refine_ls_wR_factor_ref         0.0491
_reflns_number_gt                10205
_reflns_number_total             10737
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc10293a.txt
_cod_data_source_block           mr360p-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 

The following automatic conversions were performed:

data name '_diffrn_measurement_specimen_suppport' was replaced with
'_diffrn_measurement_specimen_support' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_cell_volume        1864.24(15)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C15 H16.50 Ag0.75 F4.50 N1.50 O4.50 Sb0.75'
_cod_database_code               7106275
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
Ag1A Ag 0.216708(9) 0.250687(9) 0.470636(10) 0.02123(3) Uani 1 1 d . . .
Ag1B Ag 0.5000 0.5000 0.0000 0.01967(3) Uani 1 2 d S . .
C1A C -0.00698(12) 0.13928(11) 0.51365(12) 0.0188(2) Uani 1 1 d . . .
C2A C -0.11192(11) 0.08165(11) 0.51750(12) 0.0177(2) Uani 1 1 d . . .
C3A C -0.20047(12) -0.00712(11) 0.41674(12) 0.0175(2) Uani 1 1 d . . .
C4A C -0.30365(12) -0.06428(11) 0.41859(12) 0.0185(2) Uani 1 1 d . . .
H4A H -0.3643 -0.1229 0.3509 0.022 Uiso 1 1 calc R . .
C5A C -0.31675(11) -0.03384(10) 0.52238(12) 0.0173(2) Uani 1 1 d . . .
C6A C -0.22897(12) 0.05054(11) 0.62415(12) 0.0187(2) Uani 1 1 d . . .
H6A H -0.2391 0.0682 0.6937 0.022 Uiso 1 1 calc R . .
C7A C -0.12596(12) 0.10817(11) 0.62069(12) 0.0181(2) Uani 1 1 d . . .
C8A C -0.25379(14) -0.12945(13) 0.22174(13) 0.0267(3) Uani 1 1 d . . .
H8A1 H -0.2634 -0.1973 0.2366 0.040 Uiso 1 1 calc R . .
H8A2 H -0.2204 -0.1424 0.1632 0.040 Uiso 1 1 calc R . .
H8A3 H -0.3319 -0.1156 0.1957 0.040 Uiso 1 1 calc R . .
C9A C -0.44333(14) -0.06648(12) 0.61709(14) 0.0254(3) Uani 1 1 d . . .
H9A1 H -0.3810 -0.0793 0.6720 0.038 Uiso 1 1 calc R . .
H9A2 H -0.5218 -0.1153 0.5998 0.038 Uiso 1 1 calc R . .
H9A3 H -0.4427 0.0144 0.6490 0.038 Uiso 1 1 calc R . .
C10A C -0.03485(14) 0.20975(14) 0.82136(13) 0.0293(3) Uani 1 1 d . . .
H10A H -0.1034 0.2379 0.8296 0.044 Uiso 1 1 calc R . .
H10B H 0.0395 0.2669 0.8804 0.044 Uiso 1 1 calc R . .
H10C H -0.0414 0.1375 0.8286 0.044 Uiso 1 1 calc R . .
C11A C 0.39566(12) 0.35783(11) 0.38048(12) 0.0197(2) Uani 1 1 d . . .
C12A C 0.46949(12) 0.41743(11) 0.34456(12) 0.0186(2) Uani 1 1 d . . .
C13A C 0.55959(12) 0.37441(11) 0.31451(12) 0.0191(2) Uani 1 1 d . . .
C14A C 0.63299(12) 0.43297(11) 0.28045(12) 0.0196(2) Uani 1 1 d . . .
H14A H 0.6946 0.4048 0.2605 0.023 Uiso 1 1 calc R . .
C15A C 0.61320(12) 0.53456(11) 0.27647(12) 0.0189(2) Uani 1 1 d . . .
C16A C 0.52307(12) 0.57889(11) 0.30457(12) 0.0198(2) Uani 1 1 d . . .
H16A H 0.5114 0.6477 0.3000 0.024 Uiso 1 1 calc R . .
C17A C 0.45132(12) 0.52004(11) 0.33918(12) 0.0188(2) Uani 1 1 d . . .
C18A C 0.65627(15) 0.22463(14) 0.29101(17) 0.0316(3) Uani 1 1 d . . .
H18A H 0.6481 0.2156 0.2151 0.047 Uiso 1 1 calc R . .
H18B H 0.6461 0.1493 0.2920 0.047 Uiso 1 1 calc R . .
H18C H 0.7359 0.2752 0.3457 0.047 Uiso 1 1 calc R . .
C19A C 0.78256(12) 0.56804(13) 0.22616(14) 0.0235(3) Uani 1 1 d . . .
H19A H 0.8356 0.5657 0.2943 0.035 Uiso 1 1 calc R . .
H19B H 0.8255 0.6252 0.2103 0.035 Uiso 1 1 calc R . .
H19C H 0.7571 0.4922 0.1619 0.035 Uiso 1 1 calc R . .
C20A C 0.33759(14) 0.65498(13) 0.36374(16) 0.0289(3) Uani 1 1 d . . .
H20A H 0.4105 0.7196 0.4092 0.043 Uiso 1 1 calc R . .
H20B H 0.2748 0.6721 0.3926 0.043 Uiso 1 1 calc R . .
H20C H 0.3106 0.6429 0.2847 0.043 Uiso 1 1 calc R . .
C1B C 0.29441(12) 0.37320(11) 0.05365(12) 0.0185(2) Uani 1 1 d . . .
C2B C 0.22454(12) 0.30702(11) 0.08724(12) 0.0176(2) Uani 1 1 d . . .
C3B C 0.13631(12) 0.34408(11) 0.12555(12) 0.0188(2) Uani 1 1 d . . .
C4B C 0.07065(13) 0.27872(12) 0.15991(13) 0.0223(3) Uani 1 1 d . . .
H4B H 0.0108 0.3033 0.1860 0.027 Uiso 1 1 calc R . .
C5B C 0.09510(13) 0.17588(12) 0.15506(13) 0.0228(3) Uani 1 1 d . . .
C6B C 0.18253(13) 0.13648(11) 0.11745(13) 0.0221(3) Uani 1 1 d . . .
H6B H 0.1968 0.0660 0.1148 0.026 Uiso 1 1 calc R . .
C7B C 0.24753(12) 0.20293(11) 0.08426(12) 0.0191(2) Uani 1 1 d . . .
C8B C 0.04098(15) 0.49257(14) 0.17323(17) 0.0333(4) Uani 1 1 d . . .
H8B1 H -0.0405 0.4409 0.1283 0.050 Uiso 1 1 calc R . .
H8B2 H 0.0431 0.5677 0.1727 0.050 Uiso 1 1 calc R . .
H8B3 H 0.0649 0.5017 0.2512 0.050 Uiso 1 1 calc R . .
C9B C -0.05719(15) 0.13817(16) 0.22281(17) 0.0341(4) Uani 1 1 d . . .
H9B1 H -0.0260 0.2141 0.2876 0.051 Uiso 1 1 calc R . .
H9B2 H -0.0913 0.0813 0.2442 0.051 Uiso 1 1 calc R . .
H9B3 H -0.1195 0.1404 0.1597 0.051 Uiso 1 1 calc R . .
C10B C 0.37034(16) 0.07823(13) 0.04979(15) 0.0297(3) Uani 1 1 d . . .
H103 H 0.3966 0.0857 0.1273 0.045 Uiso 1 1 calc R . .
H102 H 0.4361 0.0707 0.0232 0.045 Uiso 1 1 calc R . .
H101 H 0.3017 0.0099 0.0003 0.045 Uiso 1 1 calc R . .
F1B F 0.43409(13) 0.68607(11) 0.01826(13) 0.0544(4) Uani 1 1 d . . .
F2B F 0.27662(15) 0.77889(12) -0.06825(11) 0.0587(4) Uani 1 1 d . . .
F3B F 0.47152(10) 0.91106(9) 0.11780(13) 0.0483(3) Uani 1 1 d . . .
F4B F 0.25897(9) 0.88215(8) 0.12728(9) 0.02841(19) Uani 1 1 d . . .
F5B F 0.41583(12) 0.78570(9) 0.21621(10) 0.0453(3) Uani 1 1 d . . .
F6B F 0.22242(10) 0.65626(9) 0.03593(12) 0.0486(3) Uani 1 1 d . . .
F1A F -0.08207(9) 0.40890(8) 0.34345(8) 0.02962(19) Uani 1 1 d . . .
F2A F 0.12619(9) 0.43341(8) 0.49548(9) 0.0325(2) Uani 1 1 d . . .
F3A F 0.07393(10) 0.61538(8) 0.47109(10) 0.0335(2) Uani 1 1 d . . .
N1A N 0.07710(11) 0.18395(10) 0.50812(11) 0.0223(2) Uani 1 1 d . . .
N2A N 0.33609(11) 0.31034(10) 0.40953(11) 0.0226(2) Uani 1 1 d . . .
N1B N 0.35268(11) 0.42266(10) 0.02488(12) 0.0226(2) Uani 1 1 d . . .
O1A O -0.17403(9) -0.03114(9) 0.32387(9) 0.02226(19) Uani 1 1 d . . .
O2A O -0.42059(9) -0.09467(8) 0.51526(9) 0.02144(19) Uani 1 1 d . . .
O3A O -0.03377(9) 0.19068(9) 0.71240(9) 0.0237(2) Uani 1 1 d . . .
O4A O 0.56637(9) 0.27420(9) 0.32066(10) 0.0244(2) Uani 1 1 d . . .
O5A O 0.67903(9) 0.59886(9) 0.24378(10) 0.0235(2) Uani 1 1 d . . .
O6A O 0.36239(9) 0.55285(9) 0.37060(10) 0.0243(2) Uani 1 1 d . . .
O1B O 0.12230(9) 0.44477(9) 0.12534(10) 0.0244(2) Uani 1 1 d . . .
O2B O 0.03839(11) 0.10698(10) 0.18907(11) 0.0308(2) Uani 1 1 d . . .
O3B O 0.33599(10) 0.17829(9) 0.04761(10) 0.0237(2) Uani 1 1 d . . .
Sb1B Sb 0.346135(8) 0.782512(7) 0.074175(8) 0.02031(3) Uani 1 1 d . . .
Sb1A Sb 0.0000 0.5000 0.5000 0.01994(3) Uani 1 2 d S . .
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'
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
N2A Ag1A N1A 171.39(5) . . ?
N1B Ag1B N1B 180.0 . 2_665 ?
N1A C1A C2A 178.45(16) . . ?
C7A C2A C3A 119.84(11) . . ?
C7A C2A C1A 120.75(12) . . ?
C3A C2A C1A 119.34(12) . . ?
O1A C3A C4A 124.76(13) . . ?
O1A C3A C2A 114.96(11) . . ?
C4A C3A C2A 120.27(12) . . ?
C3A C4A C5A 118.61(12) . . ?
O2A C5A C6A 123.33(12) . . ?
O2A C5A C4A 114.09(12) . . ?
C6A C5A C4A 122.57(11) . . ?
C7A C6A C5A 118.10(12) . . ?
O3A C7A C6A 124.38(12) . . ?
O3A C7A C2A 115.07(11) . . ?
C6A C7A C2A 120.54(13) . . ?
N2A C11A C12A 179.68(15) . . ?
C13A C12A C17A 120.32(11) . . ?
C13A C12A C11A 120.19(12) . . ?
C17A C12A C11A 119.49(11) . . ?
O4A C13A C14A 124.75(12) . . ?
O4A C13A C12A 114.77(11) . . ?
C14A C13A C12A 120.48(12) . . ?
C13A C14A C15A 117.88(12) . . ?
O5A C15A C14A 123.10(11) . . ?
O5A C15A C16A 113.92(11) . . ?
C14A C15A C16A 122.97(11) . . ?
C17A C16A C15A 118.44(12) . . ?
O6A C17A C16A 125.31(12) . . ?
O6A C17A C12A 114.78(11) . . ?
C16A C17A C12A 119.90(12) . . ?
N1B C1B C2B 177.05(14) . . ?
C3B C2B C7B 119.89(11) . . ?
C3B C2B C1B 121.59(11) . . ?
C7B C2B C1B 118.50(11) . . ?
O1B C3B C4B 124.66(12) . . ?
O1B C3B C2B 114.88(11) . . ?
C4B C3B C2B 120.46(12) . . ?
C3B C4B C5B 118.13(12) . . ?
O2B C5B C4B 122.97(13) . . ?
O2B C5B C6B 114.13(12) . . ?
C4B C5B C6B 122.87(12) . . ?
C7B C6B C5B 118.24(12) . . ?
O3B C7B C6B 125.70(12) . . ?
O3B C7B C2B 113.90(11) . . ?
C6B C7B C2B 120.40(12) . . ?
C1A N1A Ag1A 171.04(13) . . ?
C11A N2A Ag1A 169.47(11) . . ?
C1B N1B Ag1B 163.19(12) . . ?
C3A O1A C8A 117.47(10) . . ?
C5A O2A C9A 117.86(11) . . ?
C7A O3A C10A 117.56(10) . . ?
C13A O4A C18A 118.06(10) . . ?
C15A O5A C19A 118.02(10) . . ?
C17A O6A C20A 117.22(11) . . ?
C3B O1B C8B 117.51(11) . . ?
C5B O2B C9B 117.45(12) . . ?
C7B O3B C10B 117.19(11) . . ?
F6B Sb1B F5B 89.26(6) . . ?
F6B Sb1B F2B 90.71(7) . . ?
F5B Sb1B F2B 179.78(6) . . ?
F6B Sb1B F1B 90.88(6) . . ?
F5B Sb1B F1B 90.27(6) . . ?
F2B Sb1B F1B 89.52(6) . . ?
F6B Sb1B F3B 178.07(6) . . ?
F5B Sb1B F3B 89.00(6) . . ?
F2B Sb1B F3B 91.04(7) . . ?
F1B Sb1B F3B 89.95(5) . . ?
F6B Sb1B F4B 90.49(5) . . ?
F5B Sb1B F4B 91.31(5) . . ?
F2B Sb1B F4B 88.91(5) . . ?
F1B Sb1B F4B 177.92(5) . . ?
F3B Sb1B F4B 88.73(4) . . ?
F2A Sb1A F2A 180.00(6) 2_566 . ?
F2A Sb1A F3A 89.99(5) 2_566 2_566 ?
F2A Sb1A F3A 90.01(5) . 2_566 ?
F2A Sb1A F3A 90.01(5) 2_566 . ?
F2A Sb1A F3A 89.99(5) . . ?
F3A Sb1A F3A 180.0 2_566 . ?
F2A Sb1A F1A 90.34(4) 2_566 . ?
F2A Sb1A F1A 89.67(4) . . ?
F3A Sb1A F1A 90.22(5) 2_566 . ?
F3A Sb1A F1A 89.78(5) . . ?
F2A Sb1A F1A 89.66(4) 2_566 2_566 ?
F2A Sb1A F1A 90.34(4) . 2_566 ?
F3A Sb1A F1A 89.78(5) 2_566 2_566 ?
F3A Sb1A F1A 90.22(5) . 2_566 ?
F1A Sb1A F1A 180.00(5) . 2_566 ?
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
Ag1A N2A 2.0845(11) . ?
Ag1A N1A 2.0924(11) . ?
Ag1B N1B 2.1193(12) . ?
Ag1B N1B 2.1194(12) 2_665 ?
C1A N1A 1.1456(17) . ?
C1A C2A 1.4183(16) . ?
C2A C7A 1.4028(18) . ?
C2A C3A 1.4126(19) . ?
C3A O1A 1.3486(15) . ?
C3A C4A 1.3840(16) . ?
C4A C5A 1.4005(18) . ?
C5A O2A 1.3543(14) . ?
C5A C6A 1.3968(19) . ?
C6A C7A 1.3959(16) . ?
C7A O3A 1.3499(17) . ?
C8A O1A 1.4373(18) . ?
C9A O2A 1.4354(17) . ?
C10A O3A 1.4319(18) . ?
C11A N2A 1.1430(17) . ?
C11A C12A 1.4212(17) . ?
C12A C13A 1.4034(18) . ?
C12A C17A 1.4122(18) . ?
C13A O4A 1.3537(16) . ?
C13A C14A 1.3907(17) . ?
C14A C15A 1.3979(18) . ?
C15A O5A 1.3647(15) . ?
C15A C16A 1.4009(18) . ?
C16A C17A 1.3853(17) . ?
C17A O6A 1.3505(15) . ?
C18A O4A 1.4356(17) . ?
C19A O5A 1.4391(16) . ?
C20A O6A 1.4370(18) . ?
C1B N1B 1.1450(17) . ?
C1B C2B 1.4196(17) . ?
C2B C3B 1.4036(18) . ?
C2B C7B 1.4135(17) . ?
C3B O1B 1.3495(15) . ?
C3B C4B 1.3896(17) . ?
C4B C5B 1.3971(19) . ?
C5B O2B 1.3567(15) . ?
C5B C6B 1.400(2) . ?
C6B C7B 1.3822(18) . ?
C7B O3B 1.3521(16) . ?
C8B O1B 1.4392(18) . ?
C9B O2B 1.436(2) . ?
C10B O3B 1.4338(16) . ?
F1B Sb1B 1.8672(10) . ?
F2B Sb1B 1.8672(12) . ?
F3B Sb1B 1.8722(10) . ?
F4B Sb1B 1.8729(8) . ?
F5B Sb1B 1.8650(11) . ?
F6B Sb1B 1.8602(11) . ?
F1A Sb1A 1.8809(10) . ?
F2A Sb1A 1.8763(9) . ?
F3A Sb1A 1.8768(9) . ?
Sb1A F2A 1.8763(9) 2_566 ?
Sb1A F3A 1.8767(9) 2_566 ?
Sb1A F1A 1.8809(10) 2_566 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1A C1A C2A C7A 165(6) . . . . ?
N1A C1A C2A C3A -12(6) . . . . ?
C7A C2A C3A O1A -175.36(12) . . . . ?
C1A C2A C3A O1A 1.67(18) . . . . ?
C7A C2A C3A C4A 3.11(19) . . . . ?
C1A C2A C3A C4A -179.86(12) . . . . ?
O1A C3A C4A C5A 176.95(12) . . . . ?
C2A C3A C4A C5A -1.36(19) . . . . ?
C3A C4A C5A O2A -179.98(11) . . . . ?
C3A C4A C5A C6A -1.06(19) . . . . ?
O2A C5A C6A C7A -179.51(12) . . . . ?
C4A C5A C6A C7A 1.68(19) . . . . ?
C5A C6A C7A O3A -179.41(12) . . . . ?
C5A C6A C7A C2A 0.13(19) . . . . ?
C3A C2A C7A O3A 177.10(12) . . . . ?
C1A C2A C7A O3A 0.11(18) . . . . ?
C3A C2A C7A C6A -2.48(19) . . . . ?
C1A C2A C7A C6A -179.46(12) . . . . ?
N2A C11A C12A C13A 167(100) . . . . ?
N2A C11A C12A C17A -13(34) . . . . ?
C17A C12A C13A O4A -178.54(13) . . . . ?
C11A C12A C13A O4A 1.3(2) . . . . ?
C17A C12A C13A C14A 0.8(2) . . . . ?
C11A C12A C13A C14A -179.31(13) . . . . ?
O4A C13A C14A C15A 178.77(14) . . . . ?
C12A C13A C14A C15A -0.5(2) . . . . ?
C13A C14A C15A O5A -179.61(13) . . . . ?
C13A C14A C15A C16A -0.3(2) . . . . ?
O5A C15A C16A C17A -179.83(13) . . . . ?
C14A C15A C16A C17A 0.8(2) . . . . ?
C15A C16A C17A O6A 178.90(14) . . . . ?
C15A C16A C17A C12A -0.5(2) . . . . ?
C13A C12A C17A O6A -179.75(13) . . . . ?
C11A C12A C17A O6A 0.4(2) . . . . ?
C13A C12A C17A C16A -0.3(2) . . . . ?
C11A C12A C17A C16A 179.82(13) . . . . ?
N1B C1B C2B C3B -171(3) . . . . ?
N1B C1B C2B C7B 10(3) . . . . ?
C7B C2B C3B O1B 179.69(13) . . . . ?
C1B C2B C3B O1B 1.3(2) . . . . ?
C7B C2B C3B C4B -0.5(2) . . . . ?
C1B C2B C3B C4B -178.81(14) . . . . ?
O1B C3B C4B C5B 179.82(14) . . . . ?
C2B C3B C4B C5B 0.0(2) . . . . ?
C3B C4B C5B O2B 178.37(14) . . . . ?
C3B C4B C5B C6B 0.1(2) . . . . ?
O2B C5B C6B C7B -178.11(14) . . . . ?
C4B C5B C6B C7B 0.3(2) . . . . ?
C5B C6B C7B O3B 178.93(14) . . . . ?
C5B C6B C7B C2B -0.8(2) . . . . ?
C3B C2B C7B O3B -178.87(13) . . . . ?
C1B C2B C7B O3B -0.47(19) . . . . ?
C3B C2B C7B C6B 0.9(2) . . . . ?
C1B C2B C7B C6B 179.27(14) . . . . ?
C2A C1A N1A Ag1A 19(6) . . . . ?
N2A Ag1A N1A C1A 22.9(9) . . . . ?
C12A C11A N2A Ag1A 3(35) . . . . ?
N1A Ag1A N2A C11A 82.3(8) . . . . ?
C2B C1B N1B Ag1B -52(3) . . . . ?
N1B Ag1B N1B C1B 20(4) 2_665 . . . ?
C4A C3A O1A C8A -5.63(19) . . . . ?
C2A C3A O1A C8A 172.76(12) . . . . ?
C6A C5A O2A C9A 3.14(19) . . . . ?
C4A C5A O2A C9A -177.95(12) . . . . ?
C6A C7A O3A C10A 8.4(2) . . . . ?
C2A C7A O3A C10A -171.13(12) . . . . ?
C14A C13A O4A C18A 0.6(2) . . . . ?
C12A C13A O4A C18A 179.90(14) . . . . ?
C14A C15A O5A C19A -7.9(2) . . . . ?
C16A C15A O5A C19A 172.77(13) . . . . ?
C16A C17A O6A C20A 2.3(2) . . . . ?
C12A C17A O6A C20A -178.28(13) . . . . ?
C4B C3B O1B C8B 5.7(2) . . . . ?
C2B C3B O1B C8B -174.50(14) . . . . ?
C4B C5B O2B C9B 5.0(2) . . . . ?
C6B C5B O2B C9B -176.56(15) . . . . ?
C6B C7B O3B C10B -4.0(2) . . . . ?
C2B C7B O3B C10B 175.71(13) . . . . ?
