#------------------------------------------------------------------------------
#$Date: 2016-03-26 01:50:29 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180157 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/53/7105356.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_7105356
loop_
_publ_author_name
'Hooper, Thomas N'
'Green, Michael'
'Russell, Christopher A'
_publ_section_title
;
 Cationic Au(I) alkyne complexes: synthesis, structure and reactivity.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2313
_journal_page_last               2315
_journal_paper_doi               10.1039/b923900f
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C30 H63 Au2 P2, F6 Sb'
_chemical_formula_sum            'C30 H63 Au2 F6 P2 Sb'
_chemical_formula_weight         1115.43
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.9298(5)
_cell_length_b                   13.1258(8)
_cell_length_c                   33.338(2)
_cell_measurement_reflns_used    8169
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.556
_cell_measurement_theta_min      2.895
_cell_volume                     3907.6(4)
_computing_cell_refinement       'Apex II (Bruker-AXS, 2007)'
_computing_data_collection       'Apex II (Bruker-AXS, 2007)'
_computing_data_reduction
;
SAINT v7.34A (Bruker-AXS, 2007) & XPREP v2005/4 (Bruker-AXS, 2005)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.366
_diffrn_detector_type            'Bruker-AXS SMART APEX'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      'frames, 0.3° width'
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker-AXS Kappa'
_diffrn_measurement_method       'ω & φ scans'
_diffrn_measurement_specimen_support
;
glass fibre
;
_diffrn_radiation_collimation    '0.5 mm double pinhole'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71074
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0667
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_number            31705
_diffrn_reflns_theta_full        29.69
_diffrn_reflns_theta_max         29.69
_diffrn_reflns_theta_min         3.31
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           40
_diffrn_source_power             2
_diffrn_source_size              '0.4 x 8 mm fine focus'
_diffrn_source_target            Mo
_diffrn_source_type              'Bruker-AXS KFF Mo 2K 90\% Ceramic'
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    8.305
_exptl_absorpt_correction_T_max  0.660
_exptl_absorpt_correction_T_min  0.386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2007/4
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Fragment
_exptl_crystal_F_000             2144
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.838
_refine_diff_density_min         -0.811
_refine_diff_density_rms         0.180
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.191(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.846
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         10862
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.846
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0309
_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)+(0.0296P)²+0.6105P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0606
_refine_ls_wR_factor_ref         0.0650
_reflns_number_gt                9508
_reflns_number_total             10862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b923900f.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray'
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_database_code               7105356
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
C1 C 0.6115(6) 0.3659(4) 0.08957(15) 0.0135(11) Uani 1 1 d . . .
C2 C 0.6094(6) 0.4540(5) 0.10114(17) 0.0181(12) Uani 1 1 d . . .
C3 C 0.6284(7) 0.5655(4) 0.10892(18) 0.0193(12) Uani 1 1 d . . .
C4 C 0.7368(8) 0.6081(5) 0.07710(19) 0.0278(15) Uani 1 1 d . . .
H4A H 0.6909 0.6025 0.0505 0.042 Uiso 1 1 calc R . .
H4B H 0.8303 0.5691 0.0776 0.042 Uiso 1 1 calc R . .
H4C H 0.7580 0.6798 0.0829 0.042 Uiso 1 1 calc R . .
C5 C 0.4798(7) 0.6211(5) 0.1056(2) 0.0301(15) Uani 1 1 d . . .
H5A H 0.4425 0.6162 0.0781 0.045 Uiso 1 1 calc R . .
H5B H 0.4938 0.6929 0.1127 0.045 Uiso 1 1 calc R . .
H5C H 0.4072 0.5901 0.1240 0.045 Uiso 1 1 calc R . .
C6 C 0.6944(7) 0.5830(5) 0.15076(18) 0.0246(14) Uani 1 1 d . . .
H6A H 0.7138 0.6558 0.1546 0.037 Uiso 1 1 calc R . .
H6B H 0.7885 0.5450 0.1533 0.037 Uiso 1 1 calc R . .
H6C H 0.6233 0.5592 0.1711 0.037 Uiso 1 1 calc R . .
Au1 Au 0.62864(2) 0.226553(16) 0.064209(6) 0.01245(5) Uani 1 1 d . . .
P1 P 0.64754(17) 0.06965(11) 0.03376(4) 0.0119(3) Uani 1 1 d . . .
C7 C 0.5038(6) -0.0176(4) 0.05789(17) 0.0178(12) Uani 1 1 d . . .
C8 C 0.4662(7) -0.1152(5) 0.03384(19) 0.0220(13) Uani 1 1 d . . .
H8A H 0.5585 -0.1531 0.0284 0.033 Uiso 1 1 calc R . .
H8B H 0.4186 -0.0964 0.0084 0.033 Uiso 1 1 calc R . .
H8C H 0.3976 -0.1579 0.0495 0.033 Uiso 1 1 calc R . .
C9 C 0.3578(6) 0.0439(5) 0.0642(2) 0.0214(12) Uani 1 1 d . . .
H9A H 0.2867 0.0032 0.0798 0.032 Uiso 1 1 calc R . .
H9B H 0.3137 0.0604 0.0380 0.032 Uiso 1 1 calc R . .
H9C H 0.3805 0.1070 0.0786 0.032 Uiso 1 1 calc R . .
C10 C 0.5579(7) -0.0489(5) 0.10015(17) 0.0206(13) Uani 1 1 d . . .
H10A H 0.5854 0.0121 0.1154 0.031 Uiso 1 1 calc R . .
H10B H 0.6452 -0.0937 0.0977 0.031 Uiso 1 1 calc R . .
H10C H 0.4773 -0.0850 0.1141 0.031 Uiso 1 1 calc R . .
C11 C 0.8424(6) 0.0161(4) 0.04101(17) 0.0148(12) Uani 1 1 d . . .
C12 C 0.8560(7) -0.0985(4) 0.03381(19) 0.0206(13) Uani 1 1 d . . .
H12A H 0.8173 -0.1150 0.0071 0.031 Uiso 1 1 calc R . .
H12B H 0.7979 -0.1352 0.0541 0.031 Uiso 1 1 calc R . .
H12C H 0.9614 -0.1187 0.0356 0.031 Uiso 1 1 calc R . .
C13 C 0.8960(7) 0.0421(5) 0.08364(18) 0.0191(13) Uani 1 1 d . . .
H13A H 0.8305 0.0089 0.1033 0.029 Uiso 1 1 calc R . .
H13B H 0.8925 0.1161 0.0876 0.029 Uiso 1 1 calc R . .
H13C H 0.9989 0.0180 0.0873 0.029 Uiso 1 1 calc R . .
C14 C 0.9529(6) 0.0706(5) 0.01281(19) 0.0228(14) Uani 1 1 d . . .
H14A H 1.0558 0.0540 0.0207 0.034 Uiso 1 1 calc R . .
H14B H 0.9376 0.1444 0.0146 0.034 Uiso 1 1 calc R . .
H14C H 0.9357 0.0480 -0.0148 0.034 Uiso 1 1 calc R . .
C15 C 0.6071(6) 0.0860(5) -0.02187(16) 0.0171(12) Uani 1 1 d . . .
C16 C 0.4395(7) 0.1097(5) -0.02695(19) 0.0214(14) Uani 1 1 d . . .
H16A H 0.4204 0.1323 -0.0545 0.032 Uiso 1 1 calc R . .
H16B H 0.4105 0.1638 -0.0082 0.032 Uiso 1 1 calc R . .
H16C H 0.3807 0.0483 -0.0214 0.032 Uiso 1 1 calc R . .
C17 C 0.6911(7) 0.1806(4) -0.03805(17) 0.0188(13) Uani 1 1 d . . .
H17A H 0.6531 0.1977 -0.0648 0.028 Uiso 1 1 calc R . .
H17B H 0.7984 0.1657 -0.0397 0.028 Uiso 1 1 calc R . .
H17C H 0.6748 0.2383 -0.0199 0.028 Uiso 1 1 calc R . .
C18 C 0.6456(7) -0.0068(5) -0.04753(17) 0.0204(13) Uani 1 1 d . . .
H18A H 0.5924 -0.0666 -0.0372 0.031 Uiso 1 1 calc R . .
H18B H 0.7537 -0.0191 -0.0465 0.031 Uiso 1 1 calc R . .
H18C H 0.6152 0.0057 -0.0753 0.031 Uiso 1 1 calc R . .
Au2 Au 0.47456(2) 0.352195(17) 0.144472(6) 0.01385(5) Uani 1 1 d . . .
P2 P 0.32852(17) 0.31310(11) 0.19872(4) 0.0145(3) Uani 1 1 d . . .
C19 C 0.2483(7) 0.1804(4) 0.19172(17) 0.0166(12) Uani 1 1 d . . .
C20 C 0.1287(8) 0.1838(5) 0.15878(16) 0.0214(13) Uani 1 1 d . . .
H20A H 0.0971 0.1143 0.1522 0.032 Uiso 1 1 calc R . .
H20B H 0.1702 0.2164 0.1348 0.032 Uiso 1 1 calc R . .
H20C H 0.0421 0.2229 0.1683 0.032 Uiso 1 1 calc R . .
C21 C 0.3716(8) 0.1103(4) 0.17550(17) 0.0220(13) Uani 1 1 d . . .
H21A H 0.4482 0.1003 0.1962 0.033 Uiso 1 1 calc R . .
H21B H 0.4173 0.1415 0.1518 0.033 Uiso 1 1 calc R . .
H21C H 0.3281 0.0443 0.1682 0.033 Uiso 1 1 calc R . .
C22 C 0.1797(7) 0.1334(5) 0.22951(18) 0.0228(13) Uani 1 1 d . . .
H22A H 0.1361 0.0669 0.2229 0.034 Uiso 1 1 calc R . .
H22B H 0.1014 0.1785 0.2399 0.034 Uiso 1 1 calc R . .
H22C H 0.2578 0.1246 0.2499 0.034 Uiso 1 1 calc R . .
C23 C 0.1739(7) 0.4112(4) 0.20085(18) 0.0174(12) Uani 1 1 d . . .
C24 C 0.1146(8) 0.4324(5) 0.15825(18) 0.0257(14) Uani 1 1 d . . .
H24A H 0.0559 0.3739 0.1490 0.039 Uiso 1 1 calc R . .
H24B H 0.1992 0.4436 0.1400 0.039 Uiso 1 1 calc R . .
H24C H 0.0511 0.4933 0.1587 0.039 Uiso 1 1 calc R . .
C25 C 0.2388(8) 0.5134(5) 0.2153(2) 0.0273(15) Uani 1 1 d . . .
H25A H 0.1635 0.5671 0.2121 0.041 Uiso 1 1 calc R . .
H25B H 0.3277 0.5304 0.1995 0.041 Uiso 1 1 calc R . .
H25C H 0.2665 0.5079 0.2437 0.041 Uiso 1 1 calc R . .
C26 C 0.0401(8) 0.3824(5) 0.2279(2) 0.0302(16) Uani 1 1 d . . .
H26A H -0.0326 0.4383 0.2281 0.045 Uiso 1 1 calc R . .
H26B H 0.0757 0.3700 0.2553 0.045 Uiso 1 1 calc R . .
H26C H -0.0076 0.3206 0.2175 0.045 Uiso 1 1 calc R . .
C27 C 0.4497(7) 0.3187(5) 0.24558(17) 0.0191(13) Uani 1 1 d . . .
C28 C 0.5594(8) 0.4081(5) 0.24254(19) 0.0263(15) Uani 1 1 d . . .
H28A H 0.5033 0.4722 0.2416 0.039 Uiso 1 1 calc R . .
H28B H 0.6193 0.4012 0.2181 0.039 Uiso 1 1 calc R . .
H28C H 0.6257 0.4081 0.2660 0.039 Uiso 1 1 calc R . .
C29 C 0.5490(7) 0.2216(5) 0.24781(18) 0.0234(13) Uani 1 1 d . . .
H29A H 0.5965 0.2099 0.2217 0.035 Uiso 1 1 calc R . .
H29B H 0.4867 0.1628 0.2548 0.035 Uiso 1 1 calc R . .
H29C H 0.6265 0.2310 0.2683 0.035 Uiso 1 1 calc R . .
C30 C 0.3604(8) 0.3263(5) 0.28495(17) 0.0262(14) Uani 1 1 d . . .
H30A H 0.4294 0.3232 0.3078 0.039 Uiso 1 1 calc R . .
H30B H 0.2893 0.2696 0.2866 0.039 Uiso 1 1 calc R . .
H30C H 0.3056 0.3910 0.2856 0.039 Uiso 1 1 calc R . .
Sb1 Sb 0.08697(4) 0.79164(3) 0.146122(12) 0.01473(8) Uani 1 1 d . . .
F1 F 0.0945(4) 0.6641(3) 0.12176(12) 0.0312(9) Uani 1 1 d . . .
F2 F 0.2867(4) 0.7795(4) 0.16275(12) 0.0388(10) Uani 1 1 d . . .
F3 F 0.1520(4) 0.8512(3) 0.09816(11) 0.0301(9) Uani 1 1 d . . .
F4 F -0.1128(4) 0.8077(3) 0.13002(11) 0.0278(9) Uani 1 1 d . . .
F5 F 0.0226(5) 0.7301(3) 0.19378(10) 0.0357(10) Uani 1 1 d . . .
F6 F 0.0787(5) 0.9199(3) 0.17052(13) 0.0394(11) Uani 1 1 d . . .
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Au Au -2.0133 8.8022 '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
C2 C1 Au1 172.8(5) . . ?
C2 C1 Au2 78.8(4) . . ?
Au1 C1 Au2 108.4(2) . . ?
C1 C2 C3 168.8(6) . . ?
C1 C2 Au2 69.9(4) . . ?
C3 C2 Au2 121.2(4) . . ?
C2 C3 C5 111.0(5) . . ?
C2 C3 C6 110.4(5) . . ?
C5 C3 C6 109.3(5) . . ?
C2 C3 C4 107.9(5) . . ?
C5 C3 C4 109.0(5) . . ?
C6 C3 C4 109.3(5) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 Au1 P1 178.57(15) . . ?
C11 P1 C7 110.1(3) . . ?
C11 P1 C15 109.9(3) . . ?
C7 P1 C15 110.7(3) . . ?
C11 P1 Au1 110.09(18) . . ?
C7 P1 Au1 107.65(18) . . ?
C15 P1 Au1 108.37(19) . . ?
C10 C7 C9 106.2(5) . . ?
C10 C7 C8 108.7(5) . . ?
C9 C7 C8 108.6(5) . . ?
C10 C7 P1 109.6(4) . . ?
C9 C7 P1 108.2(4) . . ?
C8 C7 P1 115.2(4) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C13 109.8(5) . . ?
C12 C11 C14 108.1(5) . . ?
C13 C11 C14 105.2(5) . . ?
C12 C11 P1 114.7(4) . . ?
C13 C11 P1 108.7(4) . . ?
C14 C11 P1 109.8(4) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C18 C15 C16 108.6(5) . . ?
C18 C15 C17 109.6(5) . . ?
C16 C15 C17 105.7(5) . . ?
C18 C15 P1 114.4(4) . . ?
C16 C15 P1 108.4(4) . . ?
C17 C15 P1 109.8(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C1 Au2 P2 171.47(15) . . ?
C1 Au2 C2 31.2(2) . . ?
P2 Au2 C2 157.28(16) . . ?
C23 P2 C19 110.7(3) . . ?
C23 P2 C27 111.0(3) . . ?
C19 P2 C27 110.6(3) . . ?
C23 P2 Au2 107.07(19) . . ?
C19 P2 Au2 108.89(19) . . ?
C27 P2 Au2 108.4(2) . . ?
C22 C19 C21 109.6(5) . . ?
C22 C19 C20 108.8(5) . . ?
C21 C19 C20 105.4(5) . . ?
C22 C19 P2 114.8(4) . . ?
C21 C19 P2 108.8(4) . . ?
C20 C19 P2 108.9(4) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C26 C23 C24 108.5(5) . . ?
C26 C23 C25 108.8(5) . . ?
C24 C23 C25 105.1(5) . . ?
C26 C23 P2 114.9(4) . . ?
C24 C23 P2 109.8(4) . . ?
C25 C23 P2 109.3(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C30 109.8(5) . . ?
C28 C27 C29 105.5(5) . . ?
C30 C27 C29 107.9(5) . . ?
C28 C27 P2 109.8(4) . . ?
C30 C27 P2 114.1(5) . . ?
C29 C27 P2 109.4(4) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
F1 Sb1 F6 179.8(2) . . ?
F1 Sb1 F3 89.54(18) . . ?
F6 Sb1 F3 90.45(19) . . ?
F1 Sb1 F5 89.60(18) . . ?
F6 Sb1 F5 90.41(19) . . ?
F3 Sb1 F5 179.12(19) . . ?
F1 Sb1 F2 91.06(19) . . ?
F6 Sb1 F2 89.2(2) . . ?
F3 Sb1 F2 89.60(18) . . ?
F5 Sb1 F2 90.26(19) . . ?
F1 Sb1 F4 90.61(17) . . ?
F6 Sb1 F4 89.18(18) . . ?
F3 Sb1 F4 90.20(16) . . ?
F5 Sb1 F4 89.97(17) . . ?
F2 Sb1 F4 178.32(19) . . ?
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
C1 C2 1.219(8) . ?
C1 Au1 2.021(5) . ?
C1 Au2 2.209(5) . ?
C2 C3 1.497(8) . ?
C2 Au2 2.307(6) . ?
C3 C5 1.519(9) . ?
C3 C6 1.532(8) . ?
C3 C4 1.541(8) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
Au1 P1 2.3022(14) . ?
P1 C11 1.892(6) . ?
P1 C7 1.899(6) . ?
P1 C15 1.902(6) . ?
C7 C10 1.545(8) . ?
C7 C9 1.548(8) . ?
C7 C8 1.548(8) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.527(8) . ?
C11 C13 1.538(8) . ?
C11 C14 1.539(8) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C18 1.528(8) . ?
C15 C16 1.538(8) . ?
C15 C17 1.547(8) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
Au2 P2 2.2881(15) . ?
P2 C23 1.889(6) . ?
P2 C19 1.898(6) . ?
P2 C27 1.902(6) . ?
C19 C22 1.531(8) . ?
C19 C21 1.533(8) . ?
C19 C20 1.533(8) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C26 1.543(8) . ?
C23 C24 1.541(8) . ?
C23 C25 1.540(9) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.531(9) . ?
C27 C30 1.539(8) . ?
C27 C29 1.554(9) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
Sb1 F1 1.862(4) . ?
Sb1 F6 1.871(4) . ?
Sb1 F3 1.872(3) . ?
Sb1 F5 1.873(3) . ?
Sb1 F2 1.874(3) . ?
Sb1 F4 1.875(4) . ?
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
Au2 C1 C2 C3 172(3) . . . . ?
C1 C2 C3 C5 122(3) . . . . ?
Au2 C2 C3 C5 -66.6(6) . . . . ?
C1 C2 C3 C6 -117(3) . . . . ?
Au2 C2 C3 C6 54.8(6) . . . . ?
C1 C2 C3 C4 2(3) . . . . ?
Au2 C2 C3 C4 174.1(4) . . . . ?
C11 P1 C7 C10 45.7(5) . . . . ?
C15 P1 C7 C10 167.4(4) . . . . ?
Au1 P1 C7 C10 -74.3(4) . . . . ?
C11 P1 C7 C9 161.1(4) . . . . ?
C15 P1 C7 C9 -77.2(4) . . . . ?
Au1 P1 C7 C9 41.1(4) . . . . ?
C11 P1 C7 C8 -77.2(5) . . . . ?
C15 P1 C7 C8 44.5(5) . . . . ?
Au1 P1 C7 C8 162.8(4) . . . . ?
C7 P1 C11 C12 43.6(5) . . . . ?
C15 P1 C11 C12 -78.5(5) . . . . ?
Au1 P1 C11 C12 162.2(4) . . . . ?
C7 P1 C11 C13 -79.8(4) . . . . ?
C15 P1 C11 C13 158.0(4) . . . . ?
Au1 P1 C11 C13 38.7(4) . . . . ?
C7 P1 C11 C14 165.6(4) . . . . ?
C15 P1 C11 C14 43.5(5) . . . . ?
Au1 P1 C11 C14 -75.9(4) . . . . ?
C11 P1 C15 C18 48.0(5) . . . . ?
C7 P1 C15 C18 -73.8(5) . . . . ?
Au1 P1 C15 C18 168.4(4) . . . . ?
C11 P1 C15 C16 169.3(4) . . . . ?
C7 P1 C15 C16 47.5(5) . . . . ?
Au1 P1 C15 C16 -70.3(4) . . . . ?
C11 P1 C15 C17 -75.7(4) . . . . ?
C7 P1 C15 C17 162.5(4) . . . . ?
Au1 P1 C15 C17 44.7(4) . . . . ?
Au1 C1 Au2 C2 -179.2(5) . . . . ?
C3 C2 Au2 C1 -178.3(7) . . . . ?
C1 C2 Au2 P2 -178.5(3) . . . . ?
C3 C2 Au2 P2 3.2(8) . . . . ?
C2 Au2 P2 C23 45.2(4) . . . . ?
C2 Au2 P2 C19 164.9(4) . . . . ?
C2 Au2 P2 C27 -74.7(4) . . . . ?
C23 P2 C19 C22 -76.6(5) . . . . ?
C27 P2 C19 C22 46.9(5) . . . . ?
Au2 P2 C19 C22 166.0(4) . . . . ?
C23 P2 C19 C21 160.2(4) . . . . ?
C27 P2 C19 C21 -76.3(4) . . . . ?
Au2 P2 C19 C21 42.7(4) . . . . ?
C23 P2 C19 C20 45.7(5) . . . . ?
C27 P2 C19 C20 169.2(4) . . . . ?
Au2 P2 C19 C20 -71.7(4) . . . . ?
C19 P2 C23 C26 45.5(5) . . . . ?
C27 P2 C23 C26 -77.7(5) . . . . ?
Au2 P2 C23 C26 164.1(4) . . . . ?
C19 P2 C23 C24 -77.0(5) . . . . ?
C27 P2 C23 C24 159.7(4) . . . . ?
Au2 P2 C23 C24 41.5(5) . . . . ?
C19 P2 C23 C25 168.1(4) . . . . ?
C27 P2 C23 C25 44.9(5) . . . . ?
Au2 P2 C23 C25 -73.3(4) . . . . ?
C23 P2 C27 C28 -78.6(5) . . . . ?
C19 P2 C27 C28 158.1(4) . . . . ?
Au2 P2 C27 C28 38.8(5) . . . . ?
C23 P2 C27 C30 45.1(5) . . . . ?
C19 P2 C27 C30 -78.2(5) . . . . ?
Au2 P2 C27 C30 162.5(4) . . . . ?
C23 P2 C27 C29 166.1(4) . . . . ?
C19 P2 C27 C29 42.8(5) . . . . ?
Au2 P2 C27 C29 -76.5(4) . . . . ?
