#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:25:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179919 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/14/7021472.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_7021472
loop_
_publ_author_name
'Crespo, Olga'
'Gimeno, M Concepción'
'Ilie, Adriana'
'Laguna, Antonio'
'Ospino, Isaura'
'Silvestru, Cristian'
_publ_section_title
;
 Diselenolate- and ditellurolate-carborane gold complexes.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10454
_journal_page_last               10459
_journal_paper_doi               10.1039/c3dt50624j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C60 H88 Au4 B40 Cl8 P4 Se4'
_chemical_formula_weight         2752.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.15(3)
_cell_angle_beta                 110.39(3)
_cell_angle_gamma                106.59(3)
_cell_formula_units_Z            1
_cell_length_a                   11.550(2)
_cell_length_b                   15.209(3)
_cell_length_c                   16.081(3)
_cell_measurement_reflns_used    41338
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      35.1264
_cell_measurement_theta_min      3.6922
_cell_volume                     2323.9(14)
_computing_cell_refinement       'Crysalis CCD'
_computing_data_collection       'Crysalis CCD'
_computing_data_reduction        'Crysalis RED'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.06
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Xcalibur Oxford Diffraction'
_diffrn_measurement_method       /w-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  0.0189
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32431
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         4.21
_exptl_absorpt_coefficient_mu    8.198
_exptl_absorpt_correction_T_max  0.4154
_exptl_absorpt_correction_T_min  0.2074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE3 ABSPACK'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'irregular prism'
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.171
_refine_diff_density_min         -1.045
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         8144
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0181
_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)+(0.0202P)²+5.8070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0431
_refine_ls_wR_factor_ref         0.0435
_reflns_number_gt                7873
_reflns_number_total             8144
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50624j.txt
_cod_data_source_block           ol18env
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2324.0(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7021472
#BEGIN Tags that were not found in dictionaries:
_diffrn_reflns_av_unetl/neti     0.0152
#END Tags that were not found in dictionaries
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
Au1 Au 0.160064(11) 0.116448(8) 0.246275(8) 0.01143(4) Uani 1 1 d .
Au2 Au -0.127574(11) -0.050392(8) 0.018348(8) 0.01139(4) Uani 1 1 d .
B1 B 0.1075(3) 0.2367(3) 0.4578(3) 0.0125(7) Uani 1 1 d .
H1 H 0.0266 0.1607 0.4125 0.015 Uiso 1 1 calc R
B2 B 0.2405(4) 0.2683(3) 0.5746(2) 0.0130(7) Uani 1 1 d .
H2 H 0.2444 0.2131 0.6069 0.016 Uiso 1 1 calc R
B3 B 0.3893(4) 0.3605(3) 0.5886(3) 0.0139(7) Uani 1 1 d .
H3 H 0.4913 0.3658 0.6304 0.017 Uiso 1 1 calc R
B4 B 0.3459(4) 0.3830(3) 0.4805(3) 0.0133(7) Uani 1 1 d .
H4 H 0.4171 0.4002 0.4500 0.016 Uiso 1 1 calc R
B5 B 0.2267(4) 0.4372(3) 0.4744(3) 0.0153(7) Uani 1 1 d .
H5 H 0.2229 0.4923 0.4420 0.018 Uiso 1 1 calc R
B6 B 0.0775(4) 0.3463(3) 0.4608(3) 0.0134(7) Uani 1 1 d .
H6 H -0.0241 0.3419 0.4197 0.016 Uiso 1 1 calc R
B7 B 0.1187(4) 0.3186(3) 0.5650(3) 0.0141(7) Uani 1 1 d .
H7 H 0.0434 0.2956 0.5910 0.017 Uiso 1 1 calc R
B8 B 0.2949(4) 0.3970(3) 0.6463(3) 0.0155(7) Uani 1 1 d .
H8 H 0.3344 0.4261 0.7255 0.019 Uiso 1 1 calc R
B9 B 0.3618(4) 0.4688(3) 0.5885(3) 0.0162(7) Uani 1 1 d .
H9 H 0.4453 0.5441 0.6299 0.019 Uiso 1 1 calc R
B10 B 0.1938(4) 0.4442(3) 0.5759(3) 0.0153(7) Uani 1 1 d .
H10 H 0.1681 0.5037 0.6098 0.018 Uiso 1 1 calc R
B11 B 0.0783(4) -0.1769(3) 0.0234(3) 0.0130(7) Uani 1 1 d .
H11 H 0.0111 -0.1660 -0.0372 0.016 Uiso 1 1 calc R
B12 B 0.0146(4) -0.2638(3) 0.0698(3) 0.0150(7) Uani 1 1 d .
H12 H -0.0948 -0.3104 0.0384 0.018 Uiso 1 1 calc R
B13 B 0.1228(4) -0.2144(3) 0.1965(3) 0.0158(7) Uani 1 1 d .
H13 H 0.0839 -0.2289 0.2473 0.019 Uiso 1 1 calc R
B14 B 0.2529(4) -0.0967(3) 0.2287(2) 0.0127(7) Uani 1 1 d .
H14 H 0.2973 -0.0344 0.2996 0.015 Uiso 1 1 calc R
B15 B 0.3512(4) -0.1176(3) 0.1675(3) 0.0152(7) Uani 1 1 d .
H15 H 0.4602 -0.0696 0.1992 0.018 Uiso 1 1 calc R
B16 B 0.2430(4) -0.1668(3) 0.0405(3) 0.0154(7) Uani 1 1 d .
H16 H 0.2821 -0.1504 -0.0096 0.019 Uiso 1 1 calc R
B17 B 0.1116(4) -0.2847(3) 0.0080(3) 0.0156(7) Uani 1 1 d .
H17 H 0.0654 -0.3459 -0.0638 0.019 Uiso 1 1 calc R
B18 B 0.1394(4) -0.3082(3) 0.1146(3) 0.0178(8) Uani 1 1 d .
H18 H 0.1116 -0.3847 0.1120 0.021 Uiso 1 1 calc R
B19 B 0.2870(4) -0.2042(3) 0.2134(3) 0.0164(7) Uani 1 1 d .
H19 H 0.3551 -0.2129 0.2752 0.020 Uiso 1 1 calc R
B20 B 0.2806(4) -0.2484(3) 0.0969(3) 0.0164(7) Uani 1 1 d .
H20 H 0.3442 -0.2862 0.0829 0.020 Uiso 1 1 calc R
C1 C 0.2739(3) 0.2664(2) 0.4793(2) 0.0117(6) Uani 1 1 d .
C2 C 0.1736(3) 0.3137(2) 0.4088(2) 0.0114(6) Uani 1 1 d .
C3 C 0.0898(3) -0.1390(2) 0.1383(2) 0.0119(6) Uani 1 1 d .
C4 C 0.2234(3) -0.0816(2) 0.1216(2) 0.0114(6) Uani 1 1 d .
C11 C 0.4931(3) 0.2243(2) 0.4542(2) 0.0114(6) Uani 1 1 d D
C12 C 0.5337(3) 0.2408(2) 0.3856(2) 0.0141(6) Uani 1 1 d D
H12A H 0.4689 0.2206 0.3224 0.017 Uiso 1 1 calc R
C13 C 0.6706(3) 0.2872(2) 0.4113(2) 0.0179(7) Uani 1 1 d D
H13A H 0.6972 0.2991 0.3655 0.021 Uiso 1 1 calc R
C14 C 0.7674(3) 0.3157(2) 0.5045(2) 0.0180(7) Uani 1 1 d D
H14A H 0.8591 0.3467 0.5212 0.022 Uiso 1 1 calc R
C15 C 0.7290(3) 0.2986(2) 0.5735(2) 0.0173(7) Uani 1 1 d D
H15A H 0.7946 0.3169 0.6360 0.021 Uiso 1 1 calc R
C16 C 0.5922(3) 0.2540(2) 0.5488(2) 0.0140(6) Uani 1 1 d D
H16A H 0.5662 0.2438 0.5953 0.017 Uiso 1 1 calc R
C21 C 0.2778(3) 0.0719(2) 0.4644(2) 0.0115(6) Uani 1 1 d D
C22 C 0.3778(3) 0.0484(2) 0.5207(2) 0.0158(7) Uani 1 1 d D
H22 H 0.4684 0.0833 0.5370 0.019 Uiso 1 1 calc R
C23 C 0.3416(4) -0.0271(3) 0.5523(2) 0.0204(7) Uani 1 1 d D
H23 H 0.4085 -0.0421 0.5901 0.024 Uiso 1 1 calc R
C24 C 0.2078(4) -0.0800(2) 0.5282(3) 0.0200(7) Uani 1 1 d D
H24 H 0.1849 -0.1290 0.5514 0.024 Uiso 1 1 calc R
C25 C 0.1078(3) -0.0601(2) 0.4697(2) 0.0183(7) Uani 1 1 d D
H25 H 0.0172 -0.0967 0.4523 0.022 Uiso 1 1 calc R
C26 C 0.1423(3) 0.0143(2) 0.4368(2) 0.0152(6) Uani 1 1 d D
H26 H 0.0741 0.0260 0.3958 0.018 Uiso 1 1 calc R
C31 C 0.1914(3) 0.3500(2) 0.2395(2) 0.0131(6) Uani 1 1 d D
C32 C 0.2624(3) 0.3239(2) 0.1901(2) 0.0168(7) Uani 1 1 d D
H32 H 0.2671 0.2621 0.1792 0.020 Uiso 1 1 calc R
C33 C 0.3264(3) 0.3883(3) 0.1568(2) 0.0224(7) Uani 1 1 d D
H33 H 0.3739 0.3700 0.1242 0.027 Uiso 1 1 calc R
C34 C 0.3190(4) 0.4797(3) 0.1724(2) 0.0238(8) Uani 1 1 d D
H34 H 0.3613 0.5230 0.1500 0.029 Uiso 1 1 calc R
C35 C 0.2488(3) 0.5069(2) 0.2211(2) 0.0202(7) Uani 1 1 d D
H35 H 0.2442 0.5686 0.2314 0.024 Uiso 1 1 calc R
C36 C 0.1854(3) 0.4432(2) 0.2547(2) 0.0150(6) Uani 1 1 d D
H36 H 0.1386 0.4624 0.2876 0.018 Uiso 1 1 calc R
C41 C -0.0717(3) 0.2293(2) 0.2297(2) 0.0125(6) Uani 1 1 d D
C42 C -0.1235(3) 0.3003(2) 0.2191(2) 0.0160(7) Uani 1 1 d D
H42 H -0.0655 0.3647 0.2330 0.019 Uiso 1 1 calc R
C43 C -0.2609(3) 0.2753(3) 0.1881(2) 0.0206(7) Uani 1 1 d D
H43 H -0.2947 0.3230 0.1811 0.025 Uiso 1 1 calc R
C44 C -0.3484(3) 0.1797(3) 0.1674(2) 0.0214(7) Uani 1 1 d D
H44 H -0.4406 0.1633 0.1466 0.026 Uiso 1 1 calc R
C45 C -0.2984(3) 0.1088(3) 0.1778(3) 0.0226(7) Uani 1 1 d D
H45 H -0.3567 0.0446 0.1643 0.027 Uiso 1 1 calc R
C46 C -0.1606(3) 0.1336(2) 0.2083(2) 0.0170(7) Uani 1 1 d D
H46 H -0.1275 0.0854 0.2146 0.020 Uiso 1 1 calc R
P1 P 0.31114(8) 0.16489(6) 0.41377(5) 0.00983(15) Uani 1 1 d U
P2 P 0.10750(8) 0.25426(6) 0.27350(5) 0.00998(15) Uani 1 1 d U
Se1 Se -0.01806(3) -0.06973(2) 0.16594(2) 0.01090(6) Uani 1 1 d .
Se2 Se 0.27179(3) 0.05563(2) 0.13359(2) 0.01081(6) Uani 1 1 d .
Cl1 Cl 0.90694(9) 0.55045(7) 0.21560(6) 0.02749(19) Uani 1 1 d .
Cl3 Cl 0.28560(12) 0.11740(9) 0.75232(9) 0.0440(3) Uani 1 1 d .
Cl2 Cl 0.65892(11) 0.51634(10) 0.05515(8) 0.0481(3) Uani 1 1 d .
Cl4 Cl 0.42070(13) 0.21382(14) 0.96349(11) 0.0740(5) Uani 1 1 d .
C100 C 0.8066(4) 0.4954(3) 0.0888(3) 0.0279(8) Uani 1 1 d .
H10A H 0.8591 0.5231 0.0589 0.033 Uiso 1 1 calc R
H10B H 0.7820 0.4239 0.0653 0.033 Uiso 1 1 calc R
C101 C 0.3409(5) 0.2264(4) 0.8545(4) 0.0515(13) Uani 1 1 d .
H10C H 0.2637 0.2406 0.8528 0.062 Uiso 1 1 calc R
H10D H 0.4042 0.2826 0.8524 0.062 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'
B B 0.0013 0.0007 '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'
Se Se -0.0929 2.2259 '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'
Cl Cl 0.1484 0.1585 '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
P2 Au1 P1 95.23(5) . .
P2 Au1 Se1 124.55(3) . .
P1 Au1 Se1 111.98(5) . .
P2 Au1 Se2 129.00(3) . .
P1 Au1 Se2 110.14(3) . .
Se1 Au1 Se2 86.46(3) . .
Se2 Au2 Se1 169.692(12) 2 .
Se2 Au2 Au2 87.49(3) 2 2
Se1 Au2 Au2 101.85(3) . 2
C2 B1 C1 61.81(18) . .
C2 B1 B7 105.3(2) . .
C1 B1 B7 104.7(2) . .
C2 B1 B6 58.23(18) . .
C1 B1 B6 107.3(2) . .
B7 B1 B6 59.55(19) . .
C2 B1 B2 107.3(2) . .
C1 B1 B2 57.72(18) . .
B7 B1 B2 59.2(2) . .
B6 B1 B2 107.2(3) . .
C1 B2 B7 106.4(2) . .
C1 B2 B3 58.36(19) . .
B7 B2 B3 108.2(2) . .
C1 B2 B8 105.7(2) . .
B7 B2 B8 60.8(2) . .
B3 B2 B8 59.7(2) . .
C1 B2 B1 59.13(18) . .
B7 B2 B1 60.0(2) . .
B3 B2 B1 106.9(2) . .
B8 B2 B1 108.1(2) . .
C1 B3 B9 107.0(2) . .
C1 B3 B8 106.2(2) . .
B9 B3 B8 60.8(2) . .
C1 B3 B2 58.54(19) . .
B9 B3 B2 108.8(3) . .
B8 B3 B2 60.2(2) . .
C1 B3 B4 59.22(18) . .
B9 B3 B4 60.6(2) . .
B8 B3 B4 108.8(3) . .
B2 B3 B4 107.5(2) . .
C1 B4 C2 61.82(18) . .
C1 B4 B5 106.9(2) . .
C2 B4 B5 57.77(19) . .
C1 B4 B3 57.74(19) . .
C2 B4 B3 107.0(2) . .
B5 B4 B3 106.9(2) . .
C1 B4 B9 104.6(2) . .
C2 B4 B9 104.9(2) . .
B5 B4 B9 59.5(2) . .
B3 B4 B9 59.1(2) . .
C2 B5 B6 58.97(19) . .
C2 B5 B9 106.9(2) . .
B6 B5 B9 108.4(2) . .
C2 B5 B10 106.0(2) . .
B6 B5 B10 59.7(2) . .
B9 B5 B10 60.6(2) . .
C2 B5 B4 59.33(19) . .
B6 B5 B4 107.8(2) . .
B9 B5 B4 60.5(2) . .
B10 B5 B4 108.4(2) . .
C2 B6 B7 106.3(2) . .
C2 B6 B10 106.0(2) . .
B7 B6 B10 60.7(2) . .
C2 B6 B5 58.22(19) . .
B7 B6 B5 108.5(3) . .
B10 B6 B5 60.4(2) . .
C2 B6 B1 58.95(18) . .
B7 B6 B1 60.0(2) . .
B10 B6 B1 108.2(3) . .
B5 B6 B1 106.9(2) . .
B2 B7 B6 109.2(2) . .
B2 B7 B1 60.8(2) . .
B6 B7 B1 60.44(19) . .
B2 B7 B10 107.8(2) . .
B6 B7 B10 59.6(2) . .
B1 B7 B10 107.6(2) . .
B2 B7 B8 60.0(2) . .
B6 B7 B8 107.5(2) . .
B1 B7 B8 108.1(2) . .
B10 B7 B8 59.3(2) . .
B10 B8 B3 107.9(2) . .
B10 B8 B2 107.9(3) . .
B3 B8 B2 60.0(2) . .
B10 B8 B9 60.5(2) . .
B3 B8 B9 59.4(2) . .
B2 B8 B9 107.6(2) . .
B10 B8 B7 60.3(2) . .
B3 B8 B7 107.1(3) . .
B2 B8 B7 59.2(2) . .
B9 B8 B7 107.9(2) . .
B3 B9 B5 108.3(3) . .
B3 B9 B8 59.8(2) . .
B5 B9 B8 107.7(3) . .
B3 B9 B10 107.4(2) . .
B5 B9 B10 60.0(2) . .
B8 B9 B10 59.3(2) . .
B3 B9 B4 60.4(2) . .
B5 B9 B4 60.0(2) . .
B8 B9 B4 107.8(2) . .
B10 B9 B4 107.6(3) . .
B6 B10 B8 108.5(3) . .
B6 B10 B5 59.9(2) . .
B8 B10 B5 108.0(3) . .
B6 B10 B7 59.7(2) . .
B8 B10 B7 60.4(2) . .
B5 B10 B7 107.3(2) . .
B6 B10 B9 107.7(3) . .
B8 B10 B9 60.2(2) . .
B5 B10 B9 59.5(2) . .
B7 B10 B9 107.8(3) . .
C4 B11 C3 58.61(18) . .
C4 B11 B17 105.1(2) . .
C3 B11 B17 104.4(2) . .
C4 B11 B16 58.34(19) . .
C3 B11 B16 105.5(2) . .
B17 B11 B16 60.6(2) . .
C4 B11 B12 105.1(2) . .
C3 B11 B12 57.63(18) . .
B17 B11 B12 60.1(2) . .
B16 B11 B12 108.5(2) . .
C3 B12 B18 105.1(3) . .
C3 B12 B17 105.4(2) . .
B18 B12 B17 60.2(2) . .
C3 B12 B13 58.62(19) . .
B18 B12 B13 60.0(2) . .
B17 B12 B13 108.2(3) . .
C3 B12 B11 59.53(19) . .
B18 B12 B11 107.7(3) . .
B17 B12 B11 59.4(2) . .
B13 B12 B11 108.2(2) . .
C3 B13 B19 105.2(2) . .
C3 B13 B18 104.5(2) . .
B19 B13 B18 60.4(2) . .
C3 B13 B14 59.49(19) . .
B19 B13 B14 59.5(2) . .
B18 B13 B14 107.8(3) . .
C3 B13 B12 58.16(19) . .
B19 B13 B12 108.0(3) . .
B18 B13 B12 59.8(2) . .
B14 B13 B12 107.8(2) . .
C4 B14 C3 58.57(17) . .
C4 B14 B19 104.9(2) . .
C3 B14 B19 104.5(2) . .
C4 B14 B13 105.5(2) . .
C3 B14 B13 58.04(19) . .
B19 B14 B13 60.1(2) . .
C4 B14 B15 58.39(18) . .
C3 B14 B15 105.4(2) . .
B19 B14 B15 60.2(2) . .
B13 B14 B15 108.4(3) . .
C4 B15 B20 104.7(3) . .
C4 B15 B19 104.8(2) . .
B20 B15 B19 60.2(2) . .
C4 B15 B16 58.45(19) . .
B20 B15 B16 60.0(2) . .
B19 B15 B16 108.1(3) . .
C4 B15 B14 59.12(18) . .
B20 B15 B14 107.6(3) . .
B19 B15 B14 59.3(2) . .
B16 B15 B14 107.9(2) . .
C4 B16 B11 59.24(19) . .
C4 B16 B20 104.7(2) . .
B11 B16 B20 107.4(3) . .
C4 B16 B15 58.73(19) . .
B11 B16 B15 108.1(2) . .
B20 B16 B15 59.8(2) . .
C4 B16 B17 104.8(2) . .
B11 B16 B17 59.3(2) . .
B20 B16 B17 60.0(2) . .
B15 B16 B17 107.8(3) . .
B11 B17 B12 60.5(2) . .
B11 B17 B18 108.2(3) . .
B12 B17 B18 59.8(2) . .
B11 B17 B20 107.9(3) . .
B12 B17 B20 107.9(3) . .
B18 B17 B20 60.0(2) . .
B11 B17 B16 60.1(2) . .
B12 B17 B16 108.5(3) . .
B18 B17 B16 108.1(3) . .
B20 B17 B16 59.8(2) . .
B12 B18 B13 60.2(2) . .
B12 B18 B17 60.0(2) . .
B13 B18 B17 108.2(2) . .
B12 B18 B20 108.1(2) . .
B13 B18 B20 108.0(3) . .
B17 B18 B20 60.1(2) . .
B12 B18 B19 107.8(3) . .
B13 B18 B19 59.7(2) . .
B17 B18 B19 107.9(3) . .
B20 B18 B19 60.0(2) . .
B14 B19 B13 60.4(2) . .
B14 B19 B15 60.5(2) . .
B13 B19 B15 108.9(2) . .
B14 B19 B20 108.2(2) . .
B13 B19 B20 108.1(3) . .
B15 B19 B20 59.8(2) . .
B14 B19 B18 108.1(2) . .
B13 B19 B18 59.9(2) . .
B15 B19 B18 108.1(3) . .
B20 B19 B18 59.9(2) . .
B15 B20 B16 60.1(2) . .
B15 B20 B17 108.2(3) . .
B16 B20 B17 60.2(2) . .
B15 B20 B18 108.3(3) . .
B16 B20 B18 108.2(3) . .
B17 B20 B18 59.9(2) . .
B15 B20 B19 59.9(2) . .
B16 B20 B19 108.0(3) . .
B17 B20 B19 107.8(3) . .
B18 B20 B19 60.1(2) . .
B2 C1 B3 63.1(2) . .
B2 C1 B1 63.15(19) . .
B3 C1 B1 113.9(2) . .
B2 C1 B4 114.3(2) . .
B3 C1 B4 63.0(2) . .
B1 C1 B4 110.6(2) . .
B2 C1 C2 109.3(2) . .
B3 C1 C2 109.0(2) . .
B1 C1 C2 58.99(17) . .
B4 C1 C2 59.09(18) . .
B2 C1 P1 123.1(2) . .
B3 C1 P1 123.3(2) . .
B1 C1 P1 117.1(2) . .
B4 C1 P1 116.7(2) . .
C2 C1 P1 117.36(19) . .
B5 C2 B6 62.8(2) . .
B5 C2 B1 113.7(2) . .
B6 C2 B1 62.83(19) . .
B5 C2 B4 62.9(2) . .
B6 C2 B4 113.7(2) . .
B1 C2 B4 110.8(2) . .
B5 C2 C1 108.8(2) . .
B6 C2 C1 108.8(2) . .
B1 C2 C1 59.19(17) . .
B4 C2 C1 59.09(18) . .
B5 C2 P2 125.0(2) . .
B6 C2 P2 122.6(2) . .
B1 C2 P2 115.0(2) . .
B4 C2 P2 118.5(2) . .
C1 C2 P2 117.10(19) . .
C4 C3 B12 110.9(2) . .
C4 C3 B13 110.7(2) . .
B12 C3 B13 63.2(2) . .
C4 C3 B14 60.64(18) . .
B12 C3 B14 114.4(2) . .
B13 C3 B14 62.5(2) . .
C4 C3 B11 60.58(19) . .
B12 C3 B11 62.8(2) . .
B13 C3 B11 114.6(2) . .
B14 C3 B11 112.9(2) . .
C4 C3 Se1 120.48(19) . .
B12 C3 Se1 120.0(2) . .
B13 C3 Se1 118.3(2) . .
B14 C3 Se1 116.5(2) . .
B11 C3 Se1 119.2(2) . .
C3 C4 B16 110.5(2) . .
C3 C4 B15 110.4(2) . .
B16 C4 B15 62.8(2) . .
C3 C4 B14 60.79(18) . .
B16 C4 B14 114.2(2) . .
B15 C4 B14 62.49(19) . .
C3 C4 B11 60.81(18) . .
B16 C4 B11 62.4(2) . .
B15 C4 B11 114.0(2) . .
B14 C4 B11 113.2(2) . .
C3 C4 Se2 119.7(2) . .
B16 C4 Se2 121.8(2) . .
B15 C4 Se2 118.5(2) . .
B14 C4 Se2 114.9(2) . .
B11 C4 Se2 120.2(2) . .
C12 C11 C16 119.1(3) . .
C12 C11 P1 116.8(2) . .
C16 C11 P1 124.1(2) . .
C13 C12 C11 120.2(3) . .
C14 C13 C12 120.3(3) . .
C13 C14 C15 120.4(3) . .
C16 C15 C14 119.7(3) . .
C15 C16 C11 120.4(3) . .
C26 C21 C22 118.5(3) . .
C26 C21 P1 117.1(2) . .
C22 C21 P1 124.1(2) . .
C23 C22 C21 119.9(3) . .
C24 C23 C22 120.8(3) . .
C23 C24 C25 119.8(3) . .
C24 C25 C26 120.0(3) . .
C25 C26 C21 120.8(3) . .
C32 C31 C36 118.3(3) . .
C32 C31 P2 115.3(2) . .
C36 C31 P2 126.3(2) . .
C33 C32 C31 121.2(3) . .
C34 C33 C32 119.6(3) . .
C35 C34 C33 120.1(3) . .
C34 C35 C36 120.6(3) . .
C35 C36 C31 120.3(3) . .
C46 C41 C42 118.7(3) . .
C46 C41 P2 117.0(2) . .
C42 C41 P2 124.3(2) . .
C43 C42 C41 120.3(3) . .
C42 C43 C44 120.4(3) . .
C45 C44 C43 119.9(3) . .
C44 C45 C46 119.8(3) . .
C45 C46 C41 121.0(3) . .
C11 P1 C21 108.80(14) . .
C11 P1 C1 103.96(14) . .
C21 P1 C1 104.21(13) . .
C11 P1 Au1 118.12(11) . .
C21 P1 Au1 116.68(11) . .
C1 P1 Au1 103.06(10) . .
C41 P2 C31 110.22(14) . .
C41 P2 C2 101.79(14) . .
C31 P2 C2 106.67(14) . .
C41 P2 Au1 117.01(11) . .
C31 P2 Au1 114.62(11) . .
C2 P2 Au1 105.00(10) . .
C3 Se1 Au2 103.64(9) . .
C3 Se1 Au1 100.71(9) . .
Au2 Se1 Au1 90.53(5) . .
C4 Se2 Au2 107.05(10) . 2
C4 Se2 Au1 99.72(9) . .
Au2 Se2 Au1 102.18(2) 2 .
Cl2 C100 Cl1 111.5(2) . .
Cl3 C101 Cl4 111.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P2 2.3208(9) .
Au1 P1 2.4075(14) .
Au1 Se1 2.6132(15) .
Au1 Se2 2.6905(7) .
Au2 Se2 2.3954(10) 2
Au2 Se1 2.4094(8) .
Au2 Au2 3.2384(9) 2
B1 C2 1.722(4) .
B1 C1 1.726(4) .
B1 B7 1.781(5) .
B1 B6 1.788(5) .
B1 B2 1.794(5) .
B2 C1 1.700(4) .
B2 B7 1.766(5) .
B2 B3 1.777(5) .
B2 B8 1.781(5) .
B3 C1 1.697(5) .
B3 B9 1.765(5) .
B3 B8 1.772(5) .
B3 B4 1.788(5) .
B4 C1 1.724(4) .
B4 C2 1.724(5) .
B4 B5 1.784(5) .
B4 B9 1.792(5) .
B5 C2 1.695(5) .
B5 B6 1.774(5) .
B5 B9 1.774(5) .
B5 B10 1.783(5) .
B6 C2 1.709(4) .
B6 B7 1.772(5) .
B6 B10 1.770(5) .
B7 B10 1.791(5) .
B7 B8 1.794(5) .
B8 B10 1.773(5) .
B8 B9 1.789(5) .
B9 B10 1.794(5) .
B11 C4 1.725(5) .
B11 C3 1.729(5) .
B11 B17 1.764(5) .
B11 B16 1.779(5) .
B11 B12 1.784(5) .
B12 C3 1.694(5) .
B12 B18 1.772(5) .
B12 B17 1.777(5) .
B12 B13 1.780(5) .
B13 C3 1.703(4) .
B13 B19 1.774(5) .
B13 B18 1.777(5) .
B13 B14 1.779(5) .
B14 C4 1.726(4) .
B14 C3 1.729(5) .
B14 B19 1.763(5) .
B14 B15 1.784(5) .
B15 C4 1.713(4) .
B15 B20 1.777(5) .
B15 B19 1.778(5) .
B15 B16 1.783(5) .
B16 C4 1.708(5) .
B16 B20 1.781(5) .
B16 B17 1.788(5) .
B17 B18 1.780(5) .
B17 B20 1.785(5) .
B18 B20 1.784(5) .
B18 B19 1.787(5) .
B19 B20 1.784(5) .
C1 C2 1.771(4) .
C1 P1 1.877(3) .
C2 P2 1.885(3) .
C3 C4 1.690(4) .
C3 Se1 1.937(3) .
C4 Se2 1.938(3) .
C11 C12 1.392(4) .
C11 C16 1.400(4) .
C11 P1 1.820(3) .
C12 C13 1.387(5) .
C13 C14 1.378(5) .
C14 C15 1.388(5) .
C15 C16 1.386(5) .
C21 C26 1.395(4) .
C21 C22 1.399(4) .
C21 P1 1.822(3) .
C22 C23 1.389(4) .
C23 C24 1.377(5) .
C24 C25 1.379(5) .
C25 C26 1.387(4) .
C31 C32 1.392(5) .
C31 C36 1.400(4) .
C31 P2 1.827(3) .
C32 C33 1.389(5) .
C33 C34 1.379(5) .
C34 C35 1.381(5) .
C35 C36 1.382(4) .
C41 C46 1.390(4) .
C41 C42 1.396(4) .
C41 P2 1.822(3) .
C42 C43 1.384(5) .
C43 C44 1.386(5) .
C44 C45 1.381(5) .
C45 C46 1.389(5) .
Se2 Au2 2.3954(10) 2
Cl1 C100 1.763(4) .
Cl3 C101 1.760(6) .
Cl2 C100 1.750(4) .
Cl4 C101 1.763(6) .
