#------------------------------------------------------------------------------
#$Date: 2019-11-23 20:40:27 +0200 (Sat, 23 Nov 2019) $
#$Revision: 234898 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/95/4349582.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_4349582
loop_
_publ_author_name
'Andrade, Marta M.'
'Silva, Rafaela A. L.'
'Santos, Isabel C.'
'Lopes, Elsa B.'
'Rabaça, Sandra'
'Pereira, Laura C. J.'
'Coutinho, Joana T.'
'Telo, João P.'
'Rovira, Concepció'
'Almeida, Manuel'
'Belo, Dulce'
_publ_section_title
;
 Gold and nickel alkyl substituted bis-thiophenedithiolene complexes:
 anionic and neutral forms
;
_journal_issue                   2
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              270
_journal_paper_doi               10.1039/C6QI00447D
_journal_volume                  4
_journal_year                    2017
_chemical_formula_moiety         'C20 H28 Au S6, C24 H20 P'
_chemical_formula_sum            'C44 H48 Au P S6'
_chemical_formula_weight         997.12
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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
_audit_update_record
;
2016-09-21 deposited with the CCDC.
2016-11-29 downloaded from the CCDC.
;
_cell_angle_alpha                92.4960(10)
_cell_angle_beta                 92.1280(10)
_cell_angle_gamma                102.2660(10)
_cell_formula_units_Z            2
_cell_length_a                   11.6900(13)
_cell_length_b                   12.0874(3)
_cell_length_c                   15.5643(4)
_cell_measurement_reflns_used    5502
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.15
_cell_measurement_theta_min      2.56
_cell_volume                     2144.6(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    ORTEP3(Farrugia,1997)
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare et al, 1999)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0559
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15560
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    3.790
_exptl_absorpt_correction_T_max  0.8632
_exptl_absorpt_correction_T_min  0.4894
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow-brown
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1004
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.605
_refine_diff_density_min         -0.890
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         8124
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0378
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0459P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                6082
_reflns_number_total             8124
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6qi00447d2.cif
_cod_data_source_block           compound_3
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4349582
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 0.5000 0.5000 0.5000 0.03140(9) Uani 1 2 d S
Au2 Au 0.0000 0.5000 0.0000 0.02179(8) Uani 1 2 d S
S1 S 0.37766(13) 0.52741(12) 0.60765(10) 0.0375(3) Uani 1 1 d .
S2 S 0.41939(13) 0.30832(12) 0.48745(10) 0.0395(3) Uani 1 1 d .
S3 S 0.22644(14) 0.34882(12) 0.70774(9) 0.0401(4) Uani 1 1 d .
S4 S 0.13616(11) 0.43979(11) 0.08790(8) 0.0279(3) Uani 1 1 d .
S5 S -0.12623(11) 0.49779(12) 0.11053(8) 0.0298(3) Uani 1 1 d .
S6 S -0.11374(12) 0.38902(11) 0.28152(8) 0.0295(3) Uani 1 1 d .
P1 P 0.62182(11) 0.16342(11) 0.84529(9) 0.0252(3) Uani 1 1 d .
C1 C 0.3186(5) 0.3858(4) 0.6246(3) 0.0336(13) Uani 1 1 d .
C2 C 0.3313(5) 0.2933(4) 0.5779(3) 0.0326(13) Uani 1 1 d .
C3 C 0.2671(5) 0.1890(4) 0.6080(4) 0.0375(14) Uani 1 1 d .
C4 C 0.2088(5) 0.2066(5) 0.6784(4) 0.0396(14) Uani 1 1 d .
C5 C 0.2613(5) 0.0739(4) 0.5647(4) 0.0389(14) Uani 1 1 d .
H5 H 0.2101 0.0177 0.5997 0.047 Uiso 1 1 calc R
C6 C 0.3792(6) 0.0383(5) 0.5615(5) 0.059(2) Uani 1 1 d .
H6C H 0.4345 0.0945 0.5315 0.089 Uiso 1 1 calc R
H6A H 0.3684 -0.0359 0.5307 0.089 Uiso 1 1 calc R
H6B H 0.4103 0.0336 0.6203 0.089 Uiso 1 1 calc R
C7 C 0.2022(6) 0.0635(5) 0.4750(4) 0.058(2) Uani 1 1 d .
H7C H 0.2517 0.1143 0.4373 0.086 Uiso 1 1 calc R
H7B H 0.1259 0.0844 0.4782 0.086 Uiso 1 1 calc R
H7A H 0.1911 -0.0149 0.4516 0.086 Uiso 1 1 calc R
C8 C 0.1284(6) 0.1206(6) 0.7297(5) 0.0562(18) Uani 1 1 d .
H8 H 0.1649 0.0534 0.7354 0.067 Uiso 1 1 calc R
C9 C 0.1133(7) 0.1686(6) 0.8213(5) 0.074(2) Uani 1 1 d .
H9C H 0.1897 0.1886 0.8527 0.112 Uiso 1 1 calc R
H9B H 0.0603 0.1113 0.8520 0.112 Uiso 1 1 calc R
H9A H 0.0803 0.2364 0.8174 0.112 Uiso 1 1 calc R
C10 C 0.0104(6) 0.0807(6) 0.6828(5) 0.066(2) Uani 1 1 d .
H10B H -0.0204 0.1465 0.6664 0.099 Uiso 1 1 calc R
H10C H -0.0439 0.0350 0.7206 0.099 Uiso 1 1 calc R
H10A H 0.0189 0.0347 0.6310 0.099 Uiso 1 1 calc R
C11 C -0.0522(4) 0.4319(4) 0.1871(3) 0.0264(11) Uani 1 1 d .
C12 C 0.0553(4) 0.4071(4) 0.1800(3) 0.0233(11) Uani 1 1 d .
C13 C 0.0920(4) 0.3527(4) 0.2543(3) 0.0258(11) Uani 1 1 d .
C14 C 0.0080(5) 0.3365(4) 0.3134(3) 0.0284(12) Uani 1 1 d .
C15 C 0.2057(5) 0.3145(5) 0.2628(3) 0.0345(13) Uani 1 1 d .
H15 H 0.2096 0.2849 0.3216 0.041 Uiso 1 1 calc R
C16 C 0.3146(5) 0.4098(5) 0.2573(4) 0.0462(16) Uani 1 1 d .
H16A H 0.3161 0.4395 0.1997 0.069 Uiso 1 1 calc R
H16B H 0.3851 0.3800 0.2683 0.069 Uiso 1 1 calc R
H16C H 0.3122 0.4708 0.3003 0.069 Uiso 1 1 calc R
C17 C 0.2070(5) 0.2146(5) 0.1983(4) 0.0442(16) Uani 1 1 d .
H17A H 0.1443 0.1501 0.2104 0.066 Uiso 1 1 calc R
H17C H 0.2829 0.1926 0.2039 0.066 Uiso 1 1 calc R
H17B H 0.1949 0.2374 0.1396 0.066 Uiso 1 1 calc R
C18 C 0.0089(6) 0.2809(5) 0.3975(4) 0.0402(14) Uani 1 1 d .
H18 H 0.0493 0.2165 0.3886 0.048 Uiso 1 1 calc R
C19 C -0.1136(6) 0.2305(6) 0.4246(4) 0.063(2) Uani 1 1 d .
H19B H -0.1561 0.2913 0.4346 0.095 Uiso 1 1 calc R
H19C H -0.1087 0.1908 0.4777 0.095 Uiso 1 1 calc R
H19A H -0.1553 0.1769 0.3790 0.095 Uiso 1 1 calc R
C20 C 0.0792(5) 0.3602(5) 0.4685(3) 0.0444(15) Uani 1 1 d .
H20C H 0.1588 0.3891 0.4501 0.067 Uiso 1 1 calc R
H20B H 0.0829 0.3187 0.5209 0.067 Uiso 1 1 calc R
H20A H 0.0412 0.4238 0.4803 0.067 Uiso 1 1 calc R
C21 C 0.6986(4) 0.2376(4) 0.7607(3) 0.0284(12) Uani 1 1 d .
C22 C 0.8165(5) 0.2889(5) 0.7698(4) 0.0369(13) Uani 1 1 d .
H22 H 0.8586 0.2850 0.8225 0.044 Uiso 1 1 calc R
C23 C 0.8732(6) 0.3449(5) 0.7040(4) 0.0454(15) Uani 1 1 d .
H23 H 0.9543 0.3790 0.7109 0.054 Uiso 1 1 calc R
C24 C 0.8126(6) 0.3519(5) 0.6279(4) 0.0531(18) Uani 1 1 d .
H24 H 0.8521 0.3912 0.5824 0.064 Uiso 1 1 calc R
C25 C 0.6957(6) 0.3027(5) 0.6169(4) 0.0504(17) Uani 1 1 d .
H25 H 0.6547 0.3085 0.5640 0.060 Uiso 1 1 calc R
C26 C 0.6372(6) 0.2445(5) 0.6826(4) 0.0441(15) Uani 1 1 d .
H26 H 0.5564 0.2096 0.6749 0.053 Uiso 1 1 calc R
C31 C 0.7238(4) 0.1287(4) 0.9236(3) 0.0282(12) Uani 1 1 d .
C32 C 0.7929(5) 0.2144(5) 0.9768(4) 0.0381(14) Uani 1 1 d .
H32 H 0.7838 0.2903 0.9730 0.046 Uiso 1 1 calc R
C33 C 0.8747(5) 0.1895(5) 1.0350(4) 0.0458(16) Uani 1 1 d .
H33 H 0.9233 0.2484 1.0703 0.055 Uiso 1 1 calc R
C34 C 0.8857(6) 0.0781(5) 1.0415(4) 0.0487(17) Uani 1 1 d .
H34 H 0.9416 0.0606 1.0817 0.058 Uiso 1 1 calc R
C35 C 0.8162(5) -0.0069(5) 0.9900(4) 0.0415(15) Uani 1 1 d .
H35 H 0.8241 -0.0829 0.9950 0.050 Uiso 1 1 calc R
C36 C 0.7348(5) 0.0170(4) 0.9311(3) 0.0330(13) Uani 1 1 d .
H36 H 0.6867 -0.0424 0.8959 0.040 Uiso 1 1 calc R
C41 C 0.5326(4) 0.0335(4) 0.7999(3) 0.0262(11) Uani 1 1 d .
C42 C 0.4222(5) -0.0081(5) 0.8290(4) 0.0455(15) Uani 1 1 d .
H42 H 0.3895 0.0341 0.8708 0.055 Uiso 1 1 calc R
C43 C 0.3595(6) -0.1146(5) 0.7950(4) 0.0534(18) Uani 1 1 d .
H43 H 0.2830 -0.1438 0.8137 0.064 Uiso 1 1 calc R
C44 C 0.4057(6) -0.1763(5) 0.7364(4) 0.0454(16) Uani 1 1 d .
H44 H 0.3627 -0.2491 0.7161 0.055 Uiso 1 1 calc R
C45 C 0.5141(5) -0.1345(4) 0.7063(3) 0.0354(13) Uani 1 1 d .
H45 H 0.5456 -0.1772 0.6641 0.042 Uiso 1 1 calc R
C46 C 0.5785(4) -0.0282(4) 0.7382(3) 0.0286(12) Uani 1 1 d .
H46 H 0.6537 0.0014 0.7174 0.034 Uiso 1 1 calc R
C51 C 0.5348(4) 0.2474(4) 0.8985(4) 0.0333(13) Uani 1 1 d .
C52 C 0.5120(6) 0.2309(5) 0.9845(4) 0.0519(17) Uani 1 1 d .
H52 H 0.5434 0.1765 1.0146 0.062 Uiso 1 1 calc R
C53 C 0.4425(6) 0.2950(6) 1.0260(5) 0.069(2) Uani 1 1 d .
H53 H 0.4266 0.2845 1.0848 0.083 Uiso 1 1 calc R
C54 C 0.3974(6) 0.3723(7) 0.9826(6) 0.076(3) Uani 1 1 d .
H54 H 0.3501 0.4156 1.0114 0.091 Uiso 1 1 calc R
C55 C 0.4193(6) 0.3882(6) 0.8984(5) 0.071(3) Uani 1 1 d .
H55 H 0.3871 0.4424 0.8687 0.085 Uiso 1 1 calc R
C56 C 0.4881(6) 0.3261(5) 0.8557(5) 0.056(2) Uani 1 1 d .
H56 H 0.5032 0.3376 0.7968 0.067 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
S1 Au1 S1 180.0 . 2_666
S1 Au1 S2 88.22(5) . 2_666
S1 Au1 S2 91.78(5) 2_666 2_666
S1 Au1 S2 91.78(5) . .
S1 Au1 S2 88.22(5) 2_666 .
S2 Au1 S2 180.0 2_666 .
S5 Au2 S5 180.0 2_565 .
S5 Au2 S4 91.78(4) 2_565 2_565
S5 Au2 S4 88.22(4) . 2_565
S5 Au2 S4 88.22(4) 2_565 .
S5 Au2 S4 91.78(4) . .
S4 Au2 S4 180.00(6) 2_565 .
C1 S1 Au1 98.16(19) . .
C2 S2 Au1 100.67(18) . .
C4 S3 C1 91.3(3) . .
C12 S4 Au2 100.79(15) . .
C11 S5 Au2 98.79(17) . .
C11 S6 C14 91.6(2) . .
C51 P1 C21 111.1(3) . .
C51 P1 C41 110.9(2) . .
C21 P1 C41 108.3(2) . .
C51 P1 C31 108.3(2) . .
C21 P1 C31 110.3(2) . .
C41 P1 C31 107.9(2) . .
C2 C1 S3 110.9(4) . .
C2 C1 S1 128.2(5) . .
S3 C1 S1 120.8(3) . .
C1 C2 C3 113.8(5) . .
C1 C2 S2 119.9(4) . .
C3 C2 S2 126.3(4) . .
C4 C3 C2 111.6(5) . .
C4 C3 C5 123.9(6) . .
C2 C3 C5 124.5(6) . .
C3 C4 C8 129.0(6) . .
C3 C4 S3 112.3(5) . .
C8 C4 S3 118.6(5) . .
C3 C5 C7 111.7(4) . .
C3 C5 C6 114.5(5) . .
C7 C5 C6 110.4(5) . .
C3 C5 H5 106.6 . .
C7 C5 H5 106.6 . .
C6 C5 H5 106.6 . .
C5 C6 H6C 109.5 . .
C5 C6 H6A 109.5 . .
H6C C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6C C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C7 H7C 109.5 . .
C5 C7 H7B 109.5 . .
H7C C7 H7B 109.5 . .
C5 C7 H7A 109.5 . .
H7C C7 H7A 109.5 . .
H7B C7 H7A 109.5 . .
C10 C8 C4 110.7(6) . .
C10 C8 C9 110.3(6) . .
C4 C8 C9 111.9(6) . .
C10 C8 H8 107.9 . .
C4 C8 H8 107.9 . .
C9 C8 H8 107.9 . .
C8 C9 H9C 109.5 . .
C8 C9 H9B 109.5 . .
H9C C9 H9B 109.5 . .
C8 C9 H9A 109.5 . .
H9C C9 H9A 109.5 . .
H9B C9 H9A 109.5 . .
C8 C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C10 H10A 109.5 . .
H10B C10 H10A 109.5 . .
H10C C10 H10A 109.5 . .
C12 C11 S6 112.1(4) . .
C12 C11 S5 126.4(4) . .
S6 C11 S5 121.5(3) . .
C11 C12 C13 113.0(5) . .
C11 C12 S4 121.2(4) . .
C13 C12 S4 125.8(4) . .
C14 C13 C12 111.3(4) . .
C14 C13 C15 124.4(5) . .
C12 C13 C15 124.2(5) . .
C13 C14 C18 128.7(5) . .
C13 C14 S6 112.0(4) . .
C18 C14 S6 119.3(4) . .
C13 C15 C16 114.1(4) . .
C13 C15 C17 111.0(4) . .
C16 C15 C17 111.6(5) . .
C13 C15 H15 106.6 . .
C16 C15 H15 106.6 . .
C17 C15 H15 106.6 . .
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 H17C 109.5 . .
H17A C17 H17C 109.5 . .
C15 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
H17C C17 H17B 109.5 . .
C14 C18 C19 112.3(5) . .
C14 C18 C20 112.2(5) . .
C19 C18 C20 111.3(5) . .
C14 C18 H18 106.9 . .
C19 C18 H18 106.9 . .
C20 C18 H18 106.9 . .
C18 C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C19 H19A 109.5 . .
H19B C19 H19A 109.5 . .
H19C C19 H19A 109.5 . .
C18 C20 H20C 109.5 . .
C18 C20 H20B 109.5 . .
H20C C20 H20B 109.5 . .
C18 C20 H20A 109.5 . .
H20C C20 H20A 109.5 . .
H20B C20 H20A 109.5 . .
C22 C21 C26 118.9(5) . .
C22 C21 P1 122.2(4) . .
C26 C21 P1 118.8(4) . .
C23 C22 C21 121.1(5) . .
C23 C22 H22 119.5 . .
C21 C22 H22 119.5 . .
C22 C23 C24 119.8(6) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C25 C24 C23 120.7(6) . .
C25 C24 H24 119.6 . .
C23 C24 H24 119.6 . .
C24 C25 C26 120.2(6) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C25 C26 C21 119.3(6) . .
C25 C26 H26 120.4 . .
C21 C26 H26 120.4 . .
C32 C31 C36 119.7(5) . .
C32 C31 P1 119.5(4) . .
C36 C31 P1 120.8(4) . .
C33 C32 C31 120.2(5) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
C32 C33 C34 119.6(5) . .
C32 C33 H33 120.2 . .
C34 C33 H33 120.2 . .
C35 C34 C33 120.2(5) . .
C35 C34 H34 119.9 . .
C33 C34 H34 119.9 . .
C34 C35 C36 120.7(5) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C35 C36 C31 119.5(5) . .
C35 C36 H36 120.2 . .
C31 C36 H36 120.2 . .
C42 C41 C46 120.2(5) . .
C42 C41 P1 120.9(4) . .
C46 C41 P1 118.8(4) . .
C41 C42 C43 118.3(6) . .
C41 C42 H42 120.9 . .
C43 C42 H42 120.9 . .
C44 C43 C42 121.5(6) . .
C44 C43 H43 119.2 . .
C42 C43 H43 119.2 . .
C43 C44 C45 120.4(6) . .
C43 C44 H44 119.8 . .
C45 C44 H44 119.8 . .
C44 C45 C46 119.6(5) . .
C44 C45 H45 120.2 . .
C46 C45 H45 120.2 . .
C41 C46 C45 120.0(5) . .
C41 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C56 C51 C52 119.7(5) . .
C56 C51 P1 121.4(5) . .
C52 C51 P1 119.0(4) . .
C51 C52 C53 119.2(7) . .
C51 C52 H52 120.4 . .
C53 C52 H52 120.4 . .
C54 C53 C52 120.3(7) . .
C54 C53 H53 119.9 . .
C52 C53 H53 119.9 . .
C53 C54 C55 120.6(6) . .
C53 C54 H54 119.7 . .
C55 C54 H54 119.7 . .
C54 C55 C56 120.4(7) . .
C54 C55 H55 119.8 . .
C56 C55 H55 119.8 . .
C51 C56 C55 119.9(7) . .
C51 C56 H56 120.1 . .
C55 C56 H56 120.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 S1 2.3008(15) .
Au1 S1 2.3008(15) 2_666
Au1 S2 2.3051(14) 2_666
Au1 S2 2.3051(14) .
Au2 S5 2.3051(13) 2_565
Au2 S5 2.3051(13) .
Au2 S4 2.3134(11) 2_565
Au2 S4 2.3134(11) .
S1 C1 1.739(6) .
S2 C2 1.767(6) .
S3 C4 1.727(6) .
S3 C1 1.728(6) .
S4 C12 1.759(5) .
S5 C11 1.761(5) .
S6 C11 1.713(5) .
S6 C14 1.742(5) .
P1 C51 1.783(5) .
P1 C21 1.786(6) .
P1 C41 1.790(5) .
P1 C31 1.798(5) .
C1 C2 1.345(7) .
C2 C3 1.432(8) .
C3 C4 1.344(8) .
C3 C5 1.507(7) .
C4 C8 1.521(9) .
C5 C7 1.523(8) .
C5 C6 1.531(8) .
C5 H5 1.0000 .
C6 H6C 0.9800 .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C7 H7C 0.9800 .
C7 H7B 0.9800 .
C7 H7A 0.9800 .
C8 C10 1.510(9) .
C8 C9 1.547(10) .
C8 H8 1.0000 .
C9 H9C 0.9800 .
C9 H9B 0.9800 .
C9 H9A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C10 H10A 0.9800 .
C11 C12 1.359(6) .
C12 C13 1.451(6) .
C13 C14 1.360(7) .
C13 C15 1.500(7) .
C14 C18 1.497(7) .
C15 C16 1.533(8) .
C15 C17 1.539(7) .
C15 H15 1.0000 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17C 0.9800 .
C17 H17B 0.9800 .
C18 C19 1.515(9) .
C18 C20 1.524(8) .
C18 H18 1.0000 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C19 H19A 0.9800 .
C20 H20C 0.9800 .
C20 H20B 0.9800 .
C20 H20A 0.9800 .
C21 C22 1.384(7) .
C21 C26 1.404(7) .
C22 C23 1.366(8) .
C22 H22 0.9500 .
C23 C24 1.372(8) .
C23 H23 0.9500 .
C24 C25 1.371(9) .
C24 H24 0.9500 .
C25 C26 1.385(9) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C31 C32 1.390(7) .
C31 C36 1.393(7) .
C32 C33 1.381(7) .
C32 H32 0.9500 .
C33 C34 1.387(8) .
C33 H33 0.9500 .
C34 C35 1.372(8) .
C34 H34 0.9500 .
C35 C36 1.379(7) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C41 C42 1.382(8) .
C41 C46 1.383(7) .
C42 C43 1.410(8) .
C42 H42 0.9500 .
C43 C44 1.352(9) .
C43 H43 0.9500 .
C44 C45 1.369(8) .
C44 H44 0.9500 .
C45 C46 1.404(7) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C51 C56 1.377(8) .
C51 C52 1.388(8) .
C52 C53 1.393(8) .
C52 H52 0.9500 .
C53 C54 1.358(10) .
C53 H53 0.9500 .
C54 C55 1.359(11) .
C54 H54 0.9500 .
C55 C56 1.380(8) .
C55 H55 0.9500 .
C56 H56 0.9500 .
