#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002196.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_7002196
loop_
_publ_author_name
'Bennett, Martin A.'
'Bhargava, Suresh K.'
'Mirzadeh, Nedaossadat'
'Privér, Steven H.'
'Wagler, Jörg'
'Willis, Anthony C.'
_publ_section_title
;
 Synthesis and interconversions of digold(i), tetragold(i), digold(ii),
 gold(i)--gold(iii) and digold(iii) complexes of fluorine-substituted
 aryl carbanions
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7537
_journal_page_last               7551
_journal_paper_doi               10.1039/b906769h
_journal_year                    2009
_chemical_formula_moiety         'C54 H39 Au3 Br2 F3 P3, C6 H6, 1.5(C H2 Cl2)'
_chemical_formula_sum            'C61.5 H48 Au3 Br2 Cl3 F3 P3'
_chemical_formula_weight         1793.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 103.3430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0219(3)
_cell_length_b                   11.9992(2)
_cell_length_c                   26.0829(4)
_cell_measurement_reflns_used    141422
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.131
_cell_measurement_theta_min      2.546
_cell_volume                     5792.65(16)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Nonius Collect, KappaCCD'
_computing_data_reduction
'Denzo and Scalepak (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEP32 for windows (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Nonius Kappa CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0697
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            67386
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    9.229
_exptl_absorpt_correction_T_max  0.524
_exptl_absorpt_correction_T_min  0.243
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.057
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3388
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         3.753
_refine_diff_density_min         -3.555
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     715
_refine_ls_number_reflns         15370
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0659P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1079
_reflns_number_gt                12246
_reflns_number_total             15370
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906769h.txt
_cod_data_source_block           neda01401
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P21/n
_cod_original_formula_sum        'C61.50 H48 Au3 Br2 Cl3 F3 P3'
_cod_database_code               7002196
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Au1 Au 0.725749(11) 0.430661(16) 0.066386(8) 0.01589(6) Uani 1 1 d . . .
Au2 Au 0.809833(11) 0.269500(16) 0.050048(8) 0.01630(6) Uani 1 1 d . . .
Au3 Au 0.928318(12) 0.387197(17) 0.130094(9) 0.02079(6) Uani 1 1 d . . .
Br1 Br 0.62208(3) 0.56298(4) 0.07188(2) 0.02247(12) Uani 1 1 d . . .
Br2 Br 0.89847(3) 0.58331(5) 0.12246(3) 0.02838(14) Uani 1 1 d . . .
P1 P 0.72744(8) 0.47311(11) -0.01947(6) 0.0186(3) Uani 1 1 d . . .
P2 P 0.72743(8) 0.17298(11) 0.08916(5) 0.0165(3) Uani 1 1 d . . .
P3 P 0.96969(8) 0.21158(12) 0.14236(6) 0.0203(3) Uani 1 1 d . . .
F1 F 0.97483(18) 0.2806(3) 0.02095(14) 0.0286(8) Uani 1 1 d . . .
F2 F 0.75036(18) 0.5404(2) 0.18611(12) 0.0227(7) Uani 1 1 d . . .
F3 F 0.79316(19) 0.0676(3) -0.02599(14) 0.0308(8) Uani 1 1 d . . .
C1 C 0.8177(3) 0.4520(4) -0.0285(2) 0.0204(11) Uani 1 1 d . . .
C2 C 0.8436(4) 0.5164(5) -0.0653(3) 0.0314(14) Uani 1 1 d . . .
H2 H 0.8137 0.5716 -0.0855 0.038 Uiso 1 1 calc R . .
C3 C 0.9123(4) 0.4992(5) -0.0719(3) 0.0375(17) Uani 1 1 d . . .
H3 H 0.9302 0.5426 -0.0966 0.045 Uiso 1 1 calc R . .
C4 C 0.9557(3) 0.4180(5) -0.0422(2) 0.0290(14) Uani 1 1 d . . .
H4 H 1.0034 0.4054 -0.0464 0.035 Uiso 1 1 calc R . .
C5 C 0.9287(3) 0.3565(4) -0.0068(2) 0.0214(11) Uani 1 1 d . . .
C6 C 0.8595(3) 0.3684(4) 0.0018(2) 0.0190(11) Uani 1 1 d . . .
C7 C 0.7037(3) 0.6166(4) -0.0396(2) 0.0218(12) Uani 1 1 d . . .
C8 C 0.7295(4) 0.7009(5) -0.0046(2) 0.0285(13) Uani 1 1 d . . .
H8 H 0.7589 0.6834 0.0291 0.034 Uiso 1 1 calc R . .
C9 C 0.7127(4) 0.8119(5) -0.0181(3) 0.0320(14) Uani 1 1 d . . .
H9 H 0.7311 0.8698 0.0061 0.038 Uiso 1 1 calc R . .
C10 C 0.6694(4) 0.8372(5) -0.0668(3) 0.0327(15) Uani 1 1 d . . .
H10 H 0.6576 0.9126 -0.0760 0.039 Uiso 1 1 calc R . .
C11 C 0.6433(4) 0.7532(5) -0.1020(3) 0.0338(15) Uani 1 1 d . . .
H11 H 0.6139 0.7714 -0.1356 0.041 Uiso 1 1 calc R . .
C12 C 0.6592(3) 0.6426(5) -0.0892(2) 0.0266(13) Uani 1 1 d . . .
H12 H 0.6404 0.5851 -0.1136 0.032 Uiso 1 1 calc R . .
C13 C 0.6683(3) 0.3867(4) -0.0673(2) 0.0223(12) Uani 1 1 d . . .
C14 C 0.6942(3) 0.3153(5) -0.1010(2) 0.0269(13) Uani 1 1 d . . .
H14 H 0.7446 0.3100 -0.0987 0.032 Uiso 1 1 calc R . .
C15 C 0.6468(4) 0.2527(5) -0.1377(3) 0.0328(15) Uani 1 1 d . . .
H15 H 0.6650 0.2032 -0.1600 0.039 Uiso 1 1 calc R . .
C16 C 0.5724(4) 0.2610(6) -0.1425(3) 0.0333(15) Uani 1 1 d . . .
H16 H 0.5398 0.2198 -0.1687 0.040 Uiso 1 1 calc R . .
C17 C 0.5470(3) 0.3300(5) -0.1085(2) 0.0303(14) Uani 1 1 d . . .
H17 H 0.4964 0.3348 -0.1112 0.036 Uiso 1 1 calc R . .
C18 C 0.5933(3) 0.3922(4) -0.0708(2) 0.0228(12) Uani 1 1 d . . .
H18 H 0.5749 0.4385 -0.0474 0.027 Uiso 1 1 calc R . .
C19 C 0.7256(3) 0.2511(4) 0.1480(2) 0.0173(10) Uani 1 1 d . . .
C20 C 0.7187(3) 0.2026(5) 0.1945(2) 0.0199(11) Uani 1 1 d . . .
H20 H 0.7107 0.1246 0.1963 0.024 Uiso 1 1 calc R . .
C21 C 0.7233(3) 0.2679(4) 0.2381(2) 0.0227(12) Uani 1 1 d . . .
H21 H 0.7193 0.2354 0.2705 0.027 Uiso 1 1 calc R . .
C22 C 0.7340(3) 0.3837(4) 0.2348(2) 0.0212(11) Uani 1 1 d . . .
H22 H 0.7377 0.4300 0.2649 0.025 Uiso 1 1 calc R . .
C23 C 0.7392(3) 0.4285(4) 0.1870(2) 0.0203(11) Uani 1 1 d . . .
C24 C 0.7342(3) 0.3674(4) 0.1416(2) 0.0172(10) Uani 1 1 d . . .
C25 C 0.6369(3) 0.1796(4) 0.0471(2) 0.0206(11) Uani 1 1 d . . .
C26 C 0.5827(3) 0.2402(5) 0.0624(2) 0.0242(12) Uani 1 1 d . . .
H26 H 0.5932 0.2840 0.0936 0.029 Uiso 1 1 calc R . .
C27 C 0.5119(3) 0.2349(5) 0.0306(3) 0.0312(14) Uani 1 1 d . . .
H27 H 0.4744 0.2760 0.0404 0.037 Uiso 1 1 calc R . .
C28 C 0.4969(4) 0.1717(5) -0.0138(3) 0.0363(16) Uani 1 1 d . . .
H28 H 0.4488 0.1682 -0.0345 0.044 Uiso 1 1 calc R . .
C29 C 0.5514(4) 0.1118(5) -0.0296(3) 0.0357(15) Uani 1 1 d . . .
H29 H 0.5404 0.0673 -0.0605 0.043 Uiso 1 1 calc R . .
C30 C 0.6211(4) 0.1182(5) 0.0005(2) 0.0268(13) Uani 1 1 d . . .
H30 H 0.6588 0.0803 -0.0107 0.032 Uiso 1 1 calc R . .
C31 C 0.7369(3) 0.0262(4) 0.1061(2) 0.0198(11) Uani 1 1 d . . .
C32 C 0.6758(3) -0.0403(5) 0.1030(2) 0.0273(13) Uani 1 1 d . . .
H32 H 0.6289 -0.0083 0.0931 0.033 Uiso 1 1 calc R . .
C33 C 0.6836(4) -0.1524(5) 0.1144(2) 0.0307(14) Uani 1 1 d . . .
H33 H 0.6417 -0.1966 0.1127 0.037 Uiso 1 1 calc R . .
C34 C 0.7510(4) -0.2020(5) 0.1281(2) 0.0255(13) Uani 1 1 d . . .
H34 H 0.7554 -0.2801 0.1339 0.031 Uiso 1 1 calc R . .
C35 C 0.8113(4) -0.1366(5) 0.1333(2) 0.0275(13) Uani 1 1 d . . .
H35 H 0.8578 -0.1695 0.1436 0.033 Uiso 1 1 calc R . .
C36 C 0.8052(3) -0.0234(5) 0.1236(2) 0.0256(13) Uani 1 1 d . . .
H36 H 0.8475 0.0213 0.1289 0.031 Uiso 1 1 calc R . .
C37 C 0.9408(3) 0.1144(4) 0.0874(2) 0.0205(11) Uani 1 1 d . . .
C38 C 0.9808(3) 0.0180(5) 0.0854(2) 0.0251(12) Uani 1 1 d . . .
H38 H 1.0248 0.0068 0.1109 0.030 Uiso 1 1 calc R . .
C39 C 0.9577(4) -0.0620(5) 0.0466(3) 0.0317(15) Uani 1 1 d . . .
H39 H 0.9855 -0.1275 0.0458 0.038 Uiso 1 1 calc R . .
C40 C 0.8939(3) -0.0459(5) 0.0092(2) 0.0279(13) Uani 1 1 d . . .
H40 H 0.8765 -0.1002 -0.0171 0.033 Uiso 1 1 calc R . .
C41 C 0.8562(3) 0.0522(5) 0.0115(2) 0.0241(12) Uani 1 1 d . . .
C42 C 0.8774(3) 0.1333(4) 0.0495(2) 0.0192(11) Uani 1 1 d . . .
C43 C 0.9482(3) 0.1450(5) 0.1996(2) 0.0249(12) Uani 1 1 d . . .
C44 C 0.9059(3) 0.2012(5) 0.2284(2) 0.0279(13) Uani 1 1 d . . .
H44 H 0.8864 0.2725 0.2174 0.033 Uiso 1 1 calc R . .
C45 C 0.8925(3) 0.1511(6) 0.2738(2) 0.0339(15) Uani 1 1 d . . .
H45 H 0.8645 0.1897 0.2940 0.041 Uiso 1 1 calc R . .
C46 C 0.9191(3) 0.0476(6) 0.2896(2) 0.0328(15) Uani 1 1 d . . .
H46 H 0.9096 0.0146 0.3204 0.039 Uiso 1 1 calc R . .
C47 C 0.9599(4) -0.0086(6) 0.2605(3) 0.0422(18) Uani 1 1 d . . .
H47 H 0.9782 -0.0806 0.2712 0.051 Uiso 1 1 calc R . .
C48 C 0.9744(4) 0.0395(5) 0.2155(3) 0.0372(16) Uani 1 1 d . . .
H48 H 1.0024 0.0001 0.1956 0.045 Uiso 1 1 calc R . .
C49 C 1.0685(3) 0.2105(4) 0.1579(2) 0.0216(12) Uani 1 1 d . . .
C50 C 1.1062(4) 0.2190(6) 0.2091(3) 0.0359(15) Uani 1 1 d . . .
H50 H 1.0815 0.2191 0.2369 0.043 Uiso 1 1 calc R . .
C51 C 1.1812(4) 0.2274(7) 0.2201(3) 0.049(2) Uani 1 1 d . . .
H51 H 1.2076 0.2348 0.2556 0.059 Uiso 1 1 calc R . .
C52 C 1.2183(4) 0.2253(6) 0.1798(3) 0.0365(16) Uani 1 1 d . . .
H52 H 1.2695 0.2292 0.1878 0.044 Uiso 1 1 calc R . .
C53 C 1.1803(3) 0.2175(5) 0.1291(2) 0.0278(13) Uani 1 1 d . . .
H53 H 1.2052 0.2169 0.1015 0.033 Uiso 1 1 calc R . .
C54 C 1.1053(3) 0.2103(5) 0.1172(2) 0.0239(12) Uani 1 1 d . . .
H54 H 1.0792 0.2053 0.0816 0.029 Uiso 1 1 calc R . .
C1SA C 0.1288(8) 0.8222(15) 0.1240(6) 0.0511(12) Uani 0.50 1 d PGD A 1
H1SA H 0.1309 0.8035 0.0890 0.061 Uiso 0.50 1 calc PR A 1
C2SA C 0.0729(8) 0.7788(12) 0.1443(5) 0.0511(12) Uani 0.50 1 d PD A 1
H2SA H 0.0344 0.7388 0.1222 0.061 Uiso 0.50 1 calc PR A 1
C3SA C 0.0742(7) 0.7947(13) 0.1974(5) 0.0511(12) Uani 0.50 1 d PD A 1
H3SA H 0.0415 0.7564 0.2138 0.061 Uiso 0.50 1 calc PR A 1
C4SA C 0.1251(8) 0.8687(15) 0.2256(6) 0.0511(12) Uani 0.50 1 d PD A 1
H4SA H 0.1275 0.8795 0.2621 0.061 Uiso 0.50 1 calc PR A 1
C5SA C 0.1727(9) 0.9274(16) 0.2022(8) 0.0511(12) Uani 0.50 1 d PD A 1
H5SA H 0.1985 0.9900 0.2193 0.061 Uiso 0.50 1 calc PR A 1
C6SA C 0.1815(10) 0.8921(16) 0.1533(6) 0.0511(12) Uani 0.50 1 d PD A 1
H6SA H 0.2220 0.9149 0.1403 0.061 Uiso 0.50 1 calc PR A 1
C1SB C 0.1299(9) 0.8055(14) 0.1325(6) 0.0511(12) Uani 0.50 1 d PGD B 2
H1SB H 0.1245 0.7741 0.0984 0.061 Uiso 0.50 1 calc PR B 2
C2SB C 0.0948(9) 0.7545(12) 0.1680(5) 0.0511(12) Uani 0.50 1 d PD B 2
H2SB H 0.0684 0.6877 0.1577 0.061 Uiso 0.50 1 calc PR B 2
C3SB C 0.0969(8) 0.7982(12) 0.2182(5) 0.0511(12) Uani 0.50 1 d PD B 2
H3SB H 0.0687 0.7700 0.2410 0.061 Uiso 0.50 1 calc PR B 2
C4SB C 0.1451(9) 0.8878(14) 0.2313(7) 0.0511(12) Uani 0.50 1 d PD B 2
H4SB H 0.1490 0.9219 0.2647 0.061 Uiso 0.50 1 calc PR B 2
C5SB C 0.1880(10) 0.9309(16) 0.1989(7) 0.0511(12) Uani 0.50 1 d PD B 2
H5SB H 0.2269 0.9798 0.2129 0.061 Uiso 0.50 1 calc PR B 2
C6SB C 0.1728(10) 0.9010(16) 0.1455(6) 0.0511(12) Uani 0.50 1 d PD B 2
H6SB H 0.1903 0.9425 0.1199 0.061 Uiso 0.50 1 calc PR B 2
Cl1 Cl 0.2949(2) 0.0569(4) 0.30884(17) 0.0563(10) Uani 0.50 1 d P C 1
C7S C 0.3750(9) 0.0068(12) 0.2979(6) 0.052(4) Uani 0.50 1 d P C 1
H7S1 H 0.3816 -0.0712 0.3105 0.063 Uiso 0.50 1 calc PR C 1
H7S2 H 0.4154 0.0513 0.3189 0.063 Uiso 0.50 1 calc PR C 1
Cl2 Cl 0.3791(2) 0.0111(4) 0.23113(18) 0.0563(11) Uani 0.50 1 d P C 1
Cl3 Cl 0.5309(2) 0.1903(4) 0.1943(2) 0.0729(15) Uani 0.50 1 d P D 1
C8S C 0.5659(9) 0.0803(14) 0.2338(5) 0.047(4) Uani 0.50 1 d P D 1
H8S1 H 0.5345 0.0644 0.2583 0.056 Uiso 0.50 1 calc PR D 1
H8S2 H 0.6143 0.1009 0.2551 0.056 Uiso 0.50 1 calc PR D 1
Cl4 Cl 0.5733(3) -0.0374(4) 0.1983(3) 0.0794(17) Uani 0.50 1 d P D 1
Cl5 Cl 0.5293(4) 0.0833(8) 0.1717(3) 0.136(3) Uani 0.50 1 d PDU E 2
C9S C 0.5273(15) 0.024(3) 0.2309(11) 0.134(11) Uani 0.50 1 d PDU E 2
H9S1 H 0.5501 0.0748 0.2598 0.160 Uiso 0.50 1 calc PR E 2
H9S2 H 0.5554 -0.0463 0.2352 0.160 Uiso 0.50 1 calc PR E 2
Cl6 Cl 0.4406(6) -0.0037(7) 0.2351(4) 0.140(3) Uani 0.50 1 d PDU E 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
C24 Au1 P1 169.88(15) . . ?
C24 Au1 Br1 93.81(14) . . ?
P1 Au1 Br1 95.79(4) . . ?
C24 Au1 Au2 88.09(14) . . ?
P1 Au1 Au2 81.86(4) . . ?
Br1 Au1 Au2 168.079(17) . . ?
C42 Au2 C6 94.3(2) . . ?
C42 Au2 P2 95.19(14) . . ?
C6 Au2 P2 165.63(17) . . ?
C42 Au2 Au1 170.75(15) . . ?
C6 Au2 Au1 93.24(14) . . ?
P2 Au2 Au1 78.45(3) . . ?
C42 Au2 Au3 90.51(16) . . ?
C6 Au2 Au3 77.59(16) . . ?
P2 Au2 Au3 113.05(4) . . ?
Au1 Au2 Au3 85.916(8) . . ?
P3 Au3 Br2 172.98(4) . . ?
P3 Au3 Au2 80.91(4) . . ?
Br2 Au3 Au2 105.812(18) . . ?
C13 P1 C1 106.8(3) . . ?
C13 P1 C7 105.7(3) . . ?
C1 P1 C7 105.9(2) . . ?
C13 P1 Au1 113.50(18) . . ?
C1 P1 Au1 108.83(19) . . ?
C7 P1 Au1 115.45(18) . . ?
C19 P2 C31 108.5(2) . . ?
C19 P2 C25 106.8(3) . . ?
C31 P2 C25 102.5(3) . . ?
C19 P2 Au2 104.91(17) . . ?
C31 P2 Au2 122.87(18) . . ?
C25 P2 Au2 110.36(17) . . ?
C43 P3 C49 103.3(3) . . ?
C43 P3 C37 106.2(3) . . ?
C49 P3 C37 106.1(2) . . ?
C43 P3 Au3 112.98(19) . . ?
C49 P3 Au3 110.26(18) . . ?
C37 P3 Au3 116.98(19) . . ?
C6 C1 C2 122.3(5) . . ?
C6 C1 P1 117.4(4) . . ?
C2 C1 P1 120.4(4) . . ?
C3 C2 C1 119.8(6) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 119.7(5) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C5 C4 C3 119.1(6) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
F1 C5 C4 115.2(5) . . ?
F1 C5 C6 120.2(5) . . ?
C4 C5 C6 124.6(6) . . ?
C5 C6 C1 114.6(5) . . ?
C5 C6 Au2 127.6(4) . . ?
C1 C6 Au2 117.7(4) . . ?
C8 C7 C12 119.6(5) . . ?
C8 C7 P1 118.5(5) . . ?
C12 C7 P1 121.9(4) . . ?
C7 C8 C9 120.6(6) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 H8 119.7 . . ?
C10 C9 C8 119.8(6) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.0(6) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 121.1(7) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 119.0(6) . . ?
C11 C12 H12 120.5 . . ?
C7 C12 H12 120.5 . . ?
C14 C13 C18 119.1(6) . . ?
C14 C13 P1 122.3(5) . . ?
C18 C13 P1 118.6(4) . . ?
C15 C14 C13 120.3(6) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C14 C15 C16 120.7(6) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 119.0(6) . . ?
C17 C16 H16 120.5 . . ?
C15 C16 H16 120.5 . . ?
C16 C17 C18 121.5(6) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 119.5(5) . . ?
C17 C18 H18 120.3 . . ?
C13 C18 H18 120.3 . . ?
C20 C19 C24 123.7(5) . . ?
C20 C19 P2 123.6(4) . . ?
C24 C19 P2 112.7(4) . . ?
C21 C20 C19 119.3(5) . . ?
C21 C20 H20 120.4 . . ?
C19 C20 H20 120.4 . . ?
C20 C21 C22 119.8(5) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 118.7(5) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
F2 C23 C24 119.4(5) . . ?
F2 C23 C22 116.3(5) . . ?
C24 C23 C22 124.3(5) . . ?
C23 C24 C19 114.2(5) . . ?
C23 C24 Au1 126.3(4) . . ?
C19 C24 Au1 119.0(4) . . ?
C30 C25 C26 120.1(5) . . ?
C30 C25 P2 119.2(4) . . ?
C26 C25 P2 120.7(4) . . ?
C25 C26 C27 118.5(6) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 H26 120.7 . . ?
C28 C27 C26 120.7(6) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 120.9(6) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C30 C29 C28 119.1(6) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C29 C30 C25 120.7(6) . . ?
C29 C30 H30 119.6 . . ?
C25 C30 H30 119.6 . . ?
C32 C31 C36 118.1(5) . . ?
C32 C31 P2 120.5(4) . . ?
C36 C31 P2 121.5(4) . . ?
C33 C32 C31 119.9(6) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 121.5(6) . . ?
C32 C33 H33 119.2 . . ?
C34 C33 H33 119.2 . . ?
C35 C34 C33 118.9(5) . . ?
C35 C34 H34 120.6 . . ?
C33 C34 H34 120.6 . . ?
C34 C35 C36 120.8(6) . . ?
C34 C35 H35 119.6 . . ?
C36 C35 H35 119.6 . . ?
C35 C36 C31 120.5(6) . . ?
C35 C36 H36 119.8 . . ?
C31 C36 H36 119.8 . . ?
C42 C37 C38 120.1(5) . . ?
C42 C37 P3 120.5(4) . . ?
C38 C37 P3 119.3(5) . . ?
C39 C38 C37 121.1(6) . . ?
C39 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C40 C39 C38 119.7(5) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C39 C40 C41 117.8(6) . . ?
C39 C40 H40 121.1 . . ?
C41 C40 H40 121.1 . . ?
F3 C41 C42 118.6(5) . . ?
F3 C41 C40 117.3(5) . . ?
C42 C41 C40 124.1(6) . . ?
C41 C42 C37 117.2(5) . . ?
C41 C42 Au2 118.7(4) . . ?
C37 C42 Au2 124.0(4) . . ?
C48 C43 C44 119.5(5) . . ?
C48 C43 P3 120.7(4) . . ?
C44 C43 P3 119.7(5) . . ?
C43 C44 C45 119.1(6) . . ?
C43 C44 H44 120.4 . . ?
C45 C44 H44 120.4 . . ?
C46 C45 C44 121.1(6) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 C47 119.5(6) . . ?
C45 C46 H46 120.2 . . ?
C47 C46 H46 120.2 . . ?
C46 C47 C48 120.5(7) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C43 C48 C47 120.2(6) . . ?
C43 C48 H48 119.9 . . ?
C47 C48 H48 119.9 . . ?
C50 C49 C54 120.0(6) . . ?
C50 C49 P3 119.8(4) . . ?
C54 C49 P3 120.1(5) . . ?
C49 C50 C51 119.2(6) . . ?
C49 C50 H50 120.4 . . ?
C51 C50 H50 120.4 . . ?
C50 C51 C52 121.1(7) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 H51 119.5 . . ?
C53 C52 C51 119.2(6) . . ?
C53 C52 H52 120.4 . . ?
C51 C52 H52 120.4 . . ?
C52 C53 C54 120.7(6) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C53 C54 C49 119.9(6) . . ?
C53 C54 H54 120.1 . . ?
C49 C54 H54 120.1 . . ?
C6SA C1SA C2SA 122.3(13) . . ?
C6SA C1SA H1SA 118.8 . . ?
C2SA C1SA H1SA 118.8 . . ?
C1SA C2SA C3SA 119.1(13) . . ?
C1SA C2SA H2SA 120.5 . . ?
C3SA C2SA H2SA 120.5 . . ?
C4SA C3SA C2SA 117.6(13) . . ?
C4SA C3SA H3SA 121.2 . . ?
C2SA C3SA H3SA 121.2 . . ?
C3SA C4SA C5SA 122.3(13) . . ?
C3SA C4SA H4SA 118.9 . . ?
C5SA C4SA H4SA 118.9 . . ?
C6SA C5SA C4SA 118.4(13) . . ?
C6SA C5SA H5SA 120.8 . . ?
C4SA C5SA H5SA 120.8 . . ?
C1SA C6SA C5SA 117.4(14) . . ?
C1SA C6SA H6SA 121.3 . . ?
C5SA C6SA H6SA 121.3 . . ?
C6SB C1SB C2SB 122.5(13) . . ?
C6SB C1SB H1SB 118.8 . . ?
C2SB C1SB H1SB 118.8 . . ?
C1SB C2SB C3SB 122.6(13) . . ?
C1SB C2SB H2SB 118.7 . . ?
C3SB C2SB H2SB 118.7 . . ?
C4SB C3SB C2SB 113.0(12) . . ?
C4SB C3SB H3SB 123.5 . . ?
C2SB C3SB H3SB 123.5 . . ?
C5SB C4SB C3SB 125.0(13) . . ?
C5SB C4SB H4SB 117.5 . . ?
C3SB C4SB H4SB 117.5 . . ?
C6SB C5SB C4SB 119.4(13) . . ?
C6SB C5SB H5SB 120.3 . . ?
C4SB C5SB H5SB 120.3 . . ?
C1SB C6SB C5SB 115.0(13) . . ?
C1SB C6SB H6SB 122.5 . . ?
C5SB C6SB H6SB 122.5 . . ?
Cl1 C7S Cl2 113.3(9) . . ?
Cl1 C7S H7S1 108.9 . . ?
Cl2 C7S H7S1 108.9 . . ?
Cl1 C7S H7S2 108.9 . . ?
Cl2 C7S H7S2 108.9 . . ?
H7S1 C7S H7S2 107.7 . . ?
Cl3 C8S Cl4 112.3(8) . . ?
Cl3 C8S H8S1 109.1 . . ?
Cl4 C8S H8S1 109.1 . . ?
Cl3 C8S H8S2 109.1 . . ?
Cl4 C8S H8S2 109.1 . . ?
H8S1 C8S H8S2 107.9 . . ?
Cl5 C9S Cl6 111.2(19) . . ?
Cl5 C9S H9S1 109.4 . . ?
Cl6 C9S H9S1 109.4 . . ?
Cl5 C9S H9S2 109.4 . . ?
Cl6 C9S H9S2 109.4 . . ?
H9S1 C9S H9S2 108.0 . . ?
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
Au1 C24 2.075(5) . ?
Au1 P1 2.3040(14) . ?
Au1 Br1 2.5613(6) . ?
Au1 Au2 2.6065(3) . ?
Au2 C42 2.081(5) . ?
Au2 C6 2.106(5) . ?
Au2 P2 2.3615(13) . ?
Au2 Au3 3.0432(3) . ?
Au3 P3 2.2464(14) . ?
Au3 Br2 2.4181(6) . ?
P1 C13 1.802(6) . ?
P1 C1 1.804(6) . ?
P1 C7 1.826(6) . ?
P2 C19 1.805(5) . ?
P2 C31 1.814(5) . ?
P2 C25 1.817(6) . ?
P3 C43 1.822(5) . ?
P3 C49 1.829(6) . ?
P3 C37 1.832(6) . ?
F1 C5 1.353(6) . ?
F2 C23 1.360(6) . ?
F3 C41 1.373(7) . ?
C1 C6 1.404(8) . ?
C1 C2 1.408(7) . ?
C2 C3 1.373(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.372(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(7) . ?
C7 C8 1.374(8) . ?
C7 C12 1.409(8) . ?
C8 C9 1.396(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.377(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.377(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.385(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.396(7) . ?
C13 C18 1.410(8) . ?
C14 C15 1.376(9) . ?
C14 H14 0.9500 . ?
C15 C16 1.396(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.379(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.379(8) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.380(7) . ?
C19 C24 1.419(7) . ?
C20 C21 1.367(7) . ?
C20 H20 0.9500 . ?
C21 C22 1.410(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.377(7) . ?
C25 C30 1.393(8) . ?
C25 C26 1.394(8) . ?
C26 C27 1.410(9) . ?
C26 H26 0.9500 . ?
C27 C28 1.360(9) . ?
C27 H27 0.9500 . ?
C28 C29 1.398(10) . ?
C28 H28 0.9500 . ?
C29 C30 1.379(9) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.396(8) . ?
C31 C36 1.406(8) . ?
C32 C33 1.378(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.370(9) . ?
C34 H34 0.9500 . ?
C35 C36 1.382(8) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.391(8) . ?
C37 C38 1.392(8) . ?
C38 C39 1.390(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.384(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.387(8) . ?
C40 H40 0.9500 . ?
C41 C42 1.380(8) . ?
C43 C48 1.388(9) . ?
C43 C44 1.394(8) . ?
C44 C45 1.404(8) . ?
C44 H44 0.9500 . ?
C45 C46 1.368(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.380(9) . ?
C46 H46 0.9500 . ?
C47 C48 1.391(9) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.367(9) . ?
C49 C54 1.399(7) . ?
C50 C51 1.393(10) . ?
C50 H50 0.9500 . ?
C51 C52 1.394(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.356(9) . ?
C52 H52 0.9500 . ?
C53 C54 1.390(8) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C1SA C6SA 1.393(5) . ?
C1SA C2SA 1.393(5) . ?
C1SA H1SA 0.9500 . ?
C2SA C3SA 1.393(5) . ?
C2SA H2SA 0.9500 . ?
C3SA C4SA 1.393(5) . ?
C3SA H3SA 0.9500 . ?
C4SA C5SA 1.393(5) . ?
C4SA H4SA 0.9500 . ?
C5SA C6SA 1.393(5) . ?
C5SA H5SA 0.9500 . ?
C6SA H6SA 0.9500 . ?
C1SB C6SB 1.402(5) . ?
C1SB C2SB 1.403(5) . ?
C1SB H1SB 0.9500 . ?
C2SB C3SB 1.403(5) . ?
C2SB H2SB 0.9500 . ?
C3SB C4SB 1.403(5) . ?
C3SB H3SB 0.9500 . ?
C4SB C5SB 1.402(5) . ?
C4SB H4SB 0.9500 . ?
C5SB C6SB 1.402(5) . ?
C5SB H5SB 0.9500 . ?
C6SB H6SB 0.9500 . ?
Cl1 C7S 1.721(17) . ?
C7S Cl2 1.763(17) . ?
C7S H7S1 0.9900 . ?
C7S H7S2 0.9900 . ?
Cl3 C8S 1.712(17) . ?
C8S Cl4 1.712(16) . ?
C8S H8S1 0.9900 . ?
C8S H8S2 0.9900 . ?
Cl5 C9S 1.71(2) . ?
C9S Cl6 1.71(2) . ?
C9S H9S1 0.9900 . ?
C9S H9S2 0.9900 . ?
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
C24 Au1 Au2 C6 -145.8(2) . . . . ?
P1 Au1 Au2 C6 35.33(16) . . . . ?
Br1 Au1 Au2 C6 114.72(17) . . . . ?
C24 Au1 Au2 P2 45.98(15) . . . . ?
P1 Au1 Au2 P2 -132.84(5) . . . . ?
Br1 Au1 Au2 P2 -53.44(8) . . . . ?
C24 Au1 Au2 Au3 -68.55(15) . . . . ?
P1 Au1 Au2 Au3 112.63(4) . . . . ?
Br1 Au1 Au2 Au3 -167.98(7) . . . . ?
C42 Au2 Au3 P3 -19.49(15) . . . . ?
C6 Au2 Au3 P3 -113.79(15) . . . . ?
P2 Au2 Au3 P3 76.37(5) . . . . ?
Au1 Au2 Au3 P3 151.98(4) . . . . ?
C42 Au2 Au3 Br2 158.45(14) . . . . ?
C6 Au2 Au3 Br2 64.14(15) . . . . ?
P2 Au2 Au3 Br2 -105.69(4) . . . . ?
Au1 Au2 Au3 Br2 -30.085(17) . . . . ?
C24 Au1 P1 C13 72.2(9) . . . . ?
Br1 Au1 P1 C13 -89.3(2) . . . . ?
Au2 Au1 P1 C13 78.9(2) . . . . ?
C24 Au1 P1 C1 -46.6(9) . . . . ?
Br1 Au1 P1 C1 151.84(18) . . . . ?
Au2 Au1 P1 C1 -39.94(18) . . . . ?
C24 Au1 P1 C7 -165.6(9) . . . . ?
Br1 Au1 P1 C7 32.9(2) . . . . ?
Au2 Au1 P1 C7 -158.9(2) . . . . ?
C42 Au2 P2 C19 123.0(2) . . . . ?
C6 Au2 P2 C19 -105.8(6) . . . . ?
Au1 Au2 P2 C19 -50.25(18) . . . . ?
Au3 Au2 P2 C19 30.19(19) . . . . ?
C42 Au2 P2 C31 -1.3(3) . . . . ?
C6 Au2 P2 C31 129.9(6) . . . . ?
Au1 Au2 P2 C31 -174.5(2) . . . . ?
Au3 Au2 P2 C31 -94.1(2) . . . . ?
C42 Au2 P2 C25 -122.3(2) . . . . ?
C6 Au2 P2 C25 8.9(6) . . . . ?
Au1 Au2 P2 C25 64.50(19) . . . . ?
Au3 Au2 P2 C25 144.95(19) . . . . ?
Au2 Au3 P3 C43 -99.5(2) . . . . ?
Au2 Au3 P3 C49 145.6(2) . . . . ?
Au2 Au3 P3 C37 24.32(19) . . . . ?
C13 P1 C1 C6 -91.8(5) . . . . ?
C7 P1 C1 C6 155.8(4) . . . . ?
Au1 P1 C1 C6 31.1(5) . . . . ?
C13 P1 C1 C2 87.1(5) . . . . ?
C7 P1 C1 C2 -25.2(6) . . . . ?
Au1 P1 C1 C2 -150.0(5) . . . . ?
C6 C1 C2 C3 -0.9(10) . . . . ?
P1 C1 C2 C3 -179.8(5) . . . . ?
C1 C2 C3 C4 0.1(10) . . . . ?
C2 C3 C4 C5 0.1(10) . . . . ?
C3 C4 C5 F1 -179.0(6) . . . . ?
C3 C4 C5 C6 0.4(10) . . . . ?
F1 C5 C6 C1 178.3(5) . . . . ?
C4 C5 C6 C1 -1.1(8) . . . . ?
F1 C5 C6 Au2 -6.3(8) . . . . ?
C4 C5 C6 Au2 174.2(5) . . . . ?
C2 C1 C6 C5 1.3(8) . . . . ?
P1 C1 C6 C5 -179.8(4) . . . . ?
C2 C1 C6 Au2 -174.5(5) . . . . ?
P1 C1 C6 Au2 4.4(6) . . . . ?
C42 Au2 C6 C5 -21.4(5) . . . . ?
P2 Au2 C6 C5 -152.7(4) . . . . ?
Au1 Au2 C6 C5 153.3(5) . . . . ?
Au3 Au2 C6 C5 68.2(5) . . . . ?
C42 Au2 C6 C1 153.8(4) . . . . ?
P2 Au2 C6 C1 22.5(9) . . . . ?
Au1 Au2 C6 C1 -31.6(4) . . . . ?
Au3 Au2 C6 C1 -116.7(4) . . . . ?
C13 P1 C7 C8 166.7(4) . . . . ?
C1 P1 C7 C8 -80.1(5) . . . . ?
Au1 P1 C7 C8 40.4(5) . . . . ?
C13 P1 C7 C12 -12.3(5) . . . . ?
C1 P1 C7 C12 100.9(5) . . . . ?
Au1 P1 C7 C12 -138.6(4) . . . . ?
C12 C7 C8 C9 -0.9(8) . . . . ?
P1 C7 C8 C9 -179.9(4) . . . . ?
C7 C8 C9 C10 0.6(9) . . . . ?
C8 C9 C10 C11 -0.5(9) . . . . ?
C9 C10 C11 C12 0.6(9) . . . . ?
C10 C11 C12 C7 -0.9(9) . . . . ?
C8 C7 C12 C11 1.0(8) . . . . ?
P1 C7 C12 C11 180.0(4) . . . . ?
C1 P1 C13 C14 3.1(5) . . . . ?
C7 P1 C13 C14 115.6(5) . . . . ?
Au1 P1 C13 C14 -116.8(4) . . . . ?
C1 P1 C13 C18 -176.4(4) . . . . ?
C7 P1 C13 C18 -63.9(5) . . . . ?
Au1 P1 C13 C18 63.6(5) . . . . ?
C18 C13 C14 C15 0.9(9) . . . . ?
P1 C13 C14 C15 -178.6(5) . . . . ?
C13 C14 C15 C16 1.3(10) . . . . ?
C14 C15 C16 C17 -2.4(10) . . . . ?
C15 C16 C17 C18 1.3(10) . . . . ?
C16 C17 C18 C13 0.9(9) . . . . ?
C14 C13 C18 C17 -2.0(8) . . . . ?
P1 C13 C18 C17 177.5(4) . . . . ?
C31 P2 C19 C20 -11.2(6) . . . . ?
C25 P2 C19 C20 98.6(5) . . . . ?
Au2 P2 C19 C20 -144.2(5) . . . . ?
C31 P2 C19 C24 167.1(4) . . . . ?
C25 P2 C19 C24 -83.0(4) . . . . ?
Au2 P2 C19 C24 34.2(4) . . . . ?
C24 C19 C20 C21 -3.0(9) . . . . ?
P2 C19 C20 C21 175.1(4) . . . . ?
C19 C20 C21 C22 0.9(9) . . . . ?
C20 C21 C22 C23 0.4(9) . . . . ?
C21 C22 C23 F2 -179.3(5) . . . . ?
C21 C22 C23 C24 0.3(9) . . . . ?
F2 C23 C24 C19 177.4(5) . . . . ?
C22 C23 C24 C19 -2.2(8) . . . . ?
F2 C23 C24 Au1 -10.4(8) . . . . ?
C22 C23 C24 Au1 170.0(5) . . . . ?
C20 C19 C24 C23 3.6(8) . . . . ?
P2 C19 C24 C23 -174.8(4) . . . . ?
C20 C19 C24 Au1 -169.3(4) . . . . ?
P2 C19 C24 Au1 12.4(6) . . . . ?
P1 Au1 C24 C23 148.4(6) . . . . ?
Br1 Au1 C24 C23 -50.0(5) . . . . ?
Au2 Au1 C24 C23 141.7(5) . . . . ?
P1 Au1 C24 C19 -39.7(12) . . . . ?
Br1 Au1 C24 C19 121.8(4) . . . . ?
Au2 Au1 C24 C19 -46.4(4) . . . . ?
C19 P2 C25 C30 -174.7(4) . . . . ?
C31 P2 C25 C30 -60.7(5) . . . . ?
Au2 P2 C25 C30 71.8(5) . . . . ?
C19 P2 C25 C26 1.7(5) . . . . ?
C31 P2 C25 C26 115.7(4) . . . . ?
Au2 P2 C25 C26 -111.8(4) . . . . ?
C30 C25 C26 C27 1.8(8) . . . . ?
P2 C25 C26 C27 -174.5(4) . . . . ?
C25 C26 C27 C28 0.3(9) . . . . ?
C26 C27 C28 C29 -1.0(10) . . . . ?
C27 C28 C29 C30 -0.5(10) . . . . ?
C28 C29 C30 C25 2.7(9) . . . . ?
C26 C25 C30 C29 -3.3(8) . . . . ?
P2 C25 C30 C29 173.1(5) . . . . ?
C19 P2 C31 C32 90.4(5) . . . . ?
C25 P2 C31 C32 -22.4(5) . . . . ?
Au2 P2 C31 C32 -147.0(4) . . . . ?
C19 P2 C31 C36 -88.2(5) . . . . ?
C25 P2 C31 C36 159.0(5) . . . . ?
Au2 P2 C31 C36 34.5(5) . . . . ?
C36 C31 C32 C33 -3.4(8) . . . . ?
P2 C31 C32 C33 178.0(5) . . . . ?
C31 C32 C33 C34 -1.0(9) . . . . ?
C32 C33 C34 C35 3.6(9) . . . . ?
C33 C34 C35 C36 -1.6(9) . . . . ?
C34 C35 C36 C31 -2.8(9) . . . . ?
C32 C31 C36 C35 5.3(8) . . . . ?
P2 C31 C36 C35 -176.1(4) . . . . ?
C43 P3 C37 C42 103.3(5) . . . . ?
C49 P3 C37 C42 -147.3(4) . . . . ?
Au3 P3 C37 C42 -23.9(5) . . . . ?
C43 P3 C37 C38 -73.2(5) . . . . ?
C49 P3 C37 C38 36.2(5) . . . . ?
Au3 P3 C37 C38 159.6(4) . . . . ?
C42 C37 C38 C39 -1.6(8) . . . . ?
P3 C37 C38 C39 174.9(4) . . . . ?
C37 C38 C39 C40 0.2(9) . . . . ?
C38 C39 C40 C41 1.4(9) . . . . ?
C39 C40 C41 F3 179.6(5) . . . . ?
C39 C40 C41 C42 -1.7(9) . . . . ?
F3 C41 C42 C37 179.0(5) . . . . ?
C40 C41 C42 C37 0.3(8) . . . . ?
F3 C41 C42 Au2 3.4(7) . . . . ?
C40 C41 C42 Au2 -175.3(4) . . . . ?
C38 C37 C42 C41 1.4(8) . . . . ?
P3 C37 C42 C41 -175.1(4) . . . . ?
C38 C37 C42 Au2 176.7(4) . . . . ?
P3 C37 C42 Au2 0.3(6) . . . . ?
C6 Au2 C42 C41 -91.9(4) . . . . ?
P2 Au2 C42 C41 77.3(4) . . . . ?
Au3 Au2 C42 C41 -169.5(4) . . . . ?
C6 Au2 C42 C37 92.7(5) . . . . ?
P2 Au2 C42 C37 -98.1(4) . . . . ?
Au3 Au2 C42 C37 15.1(4) . . . . ?
C49 P3 C43 C48 -55.8(6) . . . . ?
C37 P3 C43 C48 55.6(6) . . . . ?
Au3 P3 C43 C48 -174.9(5) . . . . ?
C49 P3 C43 C44 123.1(5) . . . . ?
C37 P3 C43 C44 -125.5(5) . . . . ?
Au3 P3 C43 C44 4.0(6) . . . . ?
C48 C43 C44 C45 1.9(10) . . . . ?
P3 C43 C44 C45 -177.0(5) . . . . ?
C43 C44 C45 C46 -1.2(10) . . . . ?
C44 C45 C46 C47 0.1(10) . . . . ?
C45 C46 C47 C48 0.4(11) . . . . ?
C44 C43 C48 C47 -1.4(11) . . . . ?
P3 C43 C48 C47 177.5(6) . . . . ?
C46 C47 C48 C43 0.3(12) . . . . ?
C43 P3 C49 C50 -32.0(6) . . . . ?
C37 P3 C49 C50 -143.5(5) . . . . ?
Au3 P3 C49 C50 89.0(5) . . . . ?
C43 P3 C49 C54 153.2(5) . . . . ?
C37 P3 C49 C54 41.7(5) . . . . ?
Au3 P3 C49 C54 -85.8(4) . . . . ?
C54 C49 C50 C51 0.1(10) . . . . ?
P3 C49 C50 C51 -174.7(5) . . . . ?
C49 C50 C51 C52 -1.2(11) . . . . ?
C50 C51 C52 C53 1.6(11) . . . . ?
C51 C52 C53 C54 -0.8(10) . . . . ?
C52 C53 C54 C49 -0.3(9) . . . . ?
C50 C49 C54 C53 0.7(9) . . . . ?
P3 C49 C54 C53 175.5(4) . . . . ?
C6SA C1SA C2SA C3SA -8(3) . . . . ?
C1SA C2SA C3SA C4SA 10(2) . . . . ?
C2SA C3SA C4SA C5SA 1(3) . . . . ?
C3SA C4SA C5SA C6SA -16(3) . . . . ?
C2SA C1SA C6SA C5SA -7(3) . . . . ?
C4SA C5SA C6SA C1SA 18(3) . . . . ?
C6SB C1SB C2SB C3SB 3(3) . . . . ?
C1SB C2SB C3SB C4SB -8(2) . . . . ?
C2SB C3SB C4SB C5SB -1(3) . . . . ?
C3SB C4SB C5SB C6SB 14(3) . . . . ?
C2SB C1SB C6SB C5SB 10(3) . . . . ?
C4SB C5SB C6SB C1SB -18(3) . . . . ?
