#------------------------------------------------------------------------------
#$Date: 2023-12-12 11:56:26 +0200 (Tue, 12 Dec 2023) $
#$Revision: 288243 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/73/1547384.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_1547384
loop_
_publ_author_name
'Nicolas Delpont'
'Imma Escofet'
'Patricia Perez-Galen'
'Dirk Spiegl'
'Mihai Raducan'
'Christophe Bour'
'Riccardo Sinisi'
'Antonio M. Echavarrena'
_publ_section_title
;
 Modular chiral gold(i) phosphite complexes
;
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              3007
_journal_page_last               3012
_journal_paper_doi               10.1039/c3cy00250k
_journal_volume                  3
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_sum            'C62 H45 Au Cl O3 P Si2'
_chemical_formula_weight         1157.55
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.7873(3)
_cell_length_b                   12.8393(4)
_cell_length_c                   39.6173(13)
_cell_measurement_reflns_used    9184
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      39.36
_cell_measurement_theta_min      2.67
_cell_volume                     4978.4(3)
_computing_cell_refinement       'Bruker APEX2 v2009.1-0'
_computing_data_collection       'Bruker APEX2 v2009.1-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       62
_diffrn_reflns_limit_l_min       -70
_diffrn_reflns_number            70648
_diffrn_reflns_theta_full        37.50
_diffrn_reflns_theta_max         39.97
_diffrn_reflns_theta_min         2.62
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    3.137
_exptl_absorpt_correction_T_max  0.7444
_exptl_absorpt_correction_T_min  0.4529
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS Version 2008/1 Bruker-Nonius
Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2320
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.589
_refine_diff_density_min         -3.318
_refine_diff_density_rms         0.137
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.020(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         27809
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0360
_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)+(0.0322P)²+5.2187P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0850
_reflns_number_gt                26365
_reflns_number_total             27809
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            CY-003-C3CY00250K-s002.cif
_cod_data_source_block           cbo416_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 

The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               1547384
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
Au1 Au 0.463552(9) 0.631765(6) 0.141009(2) 0.01424(2) Uani 1 1 d . . .
C1 C 0.8066(2) 0.40488(16) 0.08786(5) 0.0120(3) Uani 1 1 d . . .
P1 P 0.67684(7) 0.59101(4) 0.132792(14) 0.01142(9) Uani 1 1 d . . .
O1 O 0.73209(17) 0.47604(11) 0.14049(4) 0.0128(2) Uani 1 1 d . . .
Cl1 Cl 0.24938(7) 0.69565(5) 0.147072(17) 0.02185(11) Uani 1 1 d . . .
Si1 Si 0.86879(7) 0.82597(5) 0.075723(17) 0.01331(10) Uani 1 1 d . . .
C2 C 0.7241(2) 0.39756(15) 0.11587(5) 0.0111(3) Uani 1 1 d . . .
O2 O 0.72015(18) 0.61357(12) 0.09479(4) 0.0128(3) Uani 1 1 d . . .
Si2 Si 0.56160(7) 0.29205(5) 0.167146(16) 0.01183(10) Uani 1 1 d . . .
C3 C 0.6386(2) 0.31152(16) 0.12400(5) 0.0122(3) Uani 1 1 d . . .
O3 O 0.78537(19) 0.65733(13) 0.15386(4) 0.0146(3) Uani 1 1 d . . .
C4 C 0.6324(3) 0.23392(17) 0.09974(6) 0.0142(3) Uani 1 1 d . . .
H4 H 0.5769 0.1746 0.1040 0.017 Uiso 1 1 calc R . .
C5 C 0.7052(3) 0.23921(16) 0.06895(5) 0.0143(3) Uani 1 1 d . . .
C6 C 0.6910(3) 0.15888(18) 0.04462(6) 0.0193(4) Uani 1 1 d . . .
H6 H 0.6311 0.1022 0.0489 0.023 Uiso 1 1 calc R . .
C7 C 0.7630(3) 0.1624(2) 0.01488(6) 0.0224(5) Uani 1 1 d . . .
H7 H 0.7527 0.1084 -0.0013 0.027 Uiso 1 1 calc R . .
C8 C 0.8523(3) 0.2465(2) 0.00846(6) 0.0210(5) Uani 1 1 d . . .
H8 H 0.9025 0.2484 -0.0121 0.025 Uiso 1 1 calc R . .
C9 C 0.8676(3) 0.32575(18) 0.03156(6) 0.0167(4) Uani 1 1 d . . .
H9 H 0.9271 0.3822 0.0266 0.020 Uiso 1 1 calc R . .
C10 C 0.7952(2) 0.32430(16) 0.06288(5) 0.0129(3) Uani 1 1 d . . .
C11 C 0.9029(2) 0.49478(15) 0.08359(5) 0.0114(3) Uani 1 1 d . . .
C12 C 0.8570(2) 0.59649(16) 0.08521(5) 0.0116(3) Uani 1 1 d . . .
C13 C 0.9345(2) 0.68619(16) 0.07728(6) 0.0136(3) Uani 1 1 d . . .
C14 C 1.0710(2) 0.66817(17) 0.07024(6) 0.0146(3) Uani 1 1 d . . .
H14 H 1.1274 0.7256 0.0644 0.018 Uiso 1 1 calc R . .
C15 C 1.1301(2) 0.56730(17) 0.07147(6) 0.0139(3) Uani 1 1 d . . .
C16 C 1.2733(3) 0.5535(2) 0.06657(6) 0.0178(4) Uani 1 1 d . . .
H16 H 1.3291 0.6121 0.0616 0.021 Uiso 1 1 calc R . .
C17 C 1.3309(3) 0.4567(2) 0.06892(7) 0.0206(4) Uani 1 1 d . . .
H17 H 1.4263 0.4481 0.0655 0.025 Uiso 1 1 calc R . .
C18 C 1.2483(3) 0.3692(2) 0.07649(6) 0.0201(4) Uani 1 1 d . . .
H18 H 1.2893 0.3024 0.0784 0.024 Uiso 1 1 calc R . .
C19 C 1.1097(3) 0.37960(18) 0.08111(6) 0.0165(4) Uani 1 1 d . . .
H19 H 1.0559 0.3200 0.0861 0.020 Uiso 1 1 calc R . .
C20 C 1.0463(3) 0.47937(15) 0.07844(5) 0.0134(3) Uani 1 1 d . . .
C21 C 0.8877(3) 0.89240(17) 0.11728(6) 0.0163(4) Uani 1 1 d . . .
C22 C 0.8244(4) 0.9890(2) 0.12227(8) 0.0273(6) Uani 1 1 d . . .
H22 H 0.7655 1.0159 0.1053 0.033 Uiso 1 1 calc R . .
C23 C 0.8463(4) 1.0461(3) 0.15161(9) 0.0334(7) Uani 1 1 d . . .
H23 H 0.8039 1.1121 0.1543 0.040 Uiso 1 1 calc R . .
C24 C 0.9291(3) 1.0076(3) 0.17684(8) 0.0269(6) Uani 1 1 d . . .
H24 H 0.9430 1.0465 0.1970 0.032 Uiso 1 1 calc R . .
C25 C 0.9918(3) 0.9121(2) 0.17263(8) 0.0250(5) Uani 1 1 d . . .
H25 H 1.0488 0.8851 0.1899 0.030 Uiso 1 1 calc R . .
C26 C 0.9716(3) 0.85499(17) 0.14299(7) 0.0191(4) Uani 1 1 d . . .
H26 H 1.0158 0.7896 0.1403 0.023 Uiso 1 1 calc R . .
C27 C 0.6859(3) 0.84491(17) 0.06224(6) 0.0164(4) Uani 1 1 d . . .
C28 C 0.6512(3) 0.87786(19) 0.02960(6) 0.0188(4) Uani 1 1 d . . .
H28 H 0.7206 0.8838 0.0129 0.023 Uiso 1 1 calc R . .
C29 C 0.5164(3) 0.9021(2) 0.02119(7) 0.0233(5) Uani 1 1 d . . .
H29 H 0.4952 0.9253 -0.0010 0.028 Uiso 1 1 calc R . .
C30 C 0.4135(3) 0.8923(2) 0.04500(9) 0.0266(5) Uani 1 1 d . . .
H30 H 0.3217 0.9077 0.0391 0.032 Uiso 1 1 calc R . .
C31 C 0.4449(3) 0.8598(2) 0.07772(8) 0.0266(5) Uani 1 1 d . . .
H31 H 0.3748 0.8529 0.0942 0.032 Uiso 1 1 calc R . .
C32 C 0.5796(3) 0.8379(2) 0.08596(7) 0.0205(4) Uani 1 1 d . . .
H32 H 0.6007 0.8173 0.1084 0.025 Uiso 1 1 calc R . .
C33 C 0.9772(3) 0.89364(17) 0.04345(6) 0.0175(4) Uani 1 1 d . . .
C34 C 1.0301(3) 0.99405(19) 0.04841(8) 0.0240(5) Uani 1 1 d . . .
H34 H 1.0174 1.0279 0.0695 0.029 Uiso 1 1 calc R . .
C35 C 0.7043(2) 0.28978(17) 0.19870(6) 0.0140(3) Uani 1 1 d . . .
C36 C 0.8422(3) 0.29164(19) 0.18950(6) 0.0172(4) Uani 1 1 d . . .
H36 H 0.8661 0.2995 0.1664 0.021 Uiso 1 1 calc R . .
C37 C 0.9450(3) 0.2822(2) 0.21347(7) 0.0210(4) Uani 1 1 d . . .
H37 H 1.0380 0.2824 0.2066 0.025 Uiso 1 1 calc R . .
C38 C 0.6737(3) 0.28067(19) 0.23326(6) 0.0175(4) Uani 1 1 d . . .
H38 H 0.5809 0.2803 0.2402 0.021 Uiso 1 1 calc R . .
C39 C 0.4782(3) 0.16018(16) 0.16647(6) 0.0154(4) Uani 1 1 d . . .
C40 C 0.3661(3) 0.1369(2) 0.14554(7) 0.0220(4) Uani 1 1 d . . .
H40 H 0.3329 0.1884 0.1304 0.026 Uiso 1 1 calc R . .
C41 C 0.5243(3) 0.08084(17) 0.18787(7) 0.0197(4) Uani 1 1 d . . .
H41 H 0.6004 0.0934 0.2022 0.024 Uiso 1 1 calc R . .
C42 C 0.4603(4) -0.01646(19) 0.18854(8) 0.0273(5) Uani 1 1 d . . .
H42 H 0.4932 -0.0689 0.2034 0.033 Uiso 1 1 calc R . .
C43 C 0.3513(4) -0.0371(2) 0.16812(10) 0.0307(7) Uani 1 1 d . . .
H43 H 0.3087 -0.1036 0.1686 0.037 Uiso 1 1 calc R . .
C44 C 0.4318(2) 0.39079(17) 0.18100(6) 0.0151(4) Uani 1 1 d . . .
C45 C 0.4621(3) 0.46270(17) 0.20660(6) 0.0202(4) Uani 1 1 d . . .
H45 H 0.5531 0.4684 0.2147 0.024 Uiso 1 1 calc R . .
C46 C 0.3608(4) 0.5258(2) 0.22032(8) 0.0282(6) Uani 1 1 d . . .
H46 H 0.3830 0.5735 0.2378 0.034 Uiso 1 1 calc R . .
C47 C 0.2280(4) 0.5195(2) 0.20864(10) 0.0309(7) Uani 1 1 d . . .
H47 H 0.1583 0.5606 0.2187 0.037 Uiso 1 1 calc R . .
C48 C 0.1969(3) 0.4532(2) 0.18220(11) 0.0301(6) Uani 1 1 d . . .
H48 H 0.1069 0.4517 0.1732 0.036 Uiso 1 1 calc R . .
C49 C 0.3032(4) 0.0401(2) 0.14655(9) 0.0304(7) Uani 1 1 d . . .
H49 H 0.2268 0.0265 0.1324 0.037 Uiso 1 1 calc R . .
C50 C 0.7759(3) 0.2722(2) 0.25744(7) 0.0213(5) Uani 1 1 d . . .
H50 H 0.7526 0.2664 0.2806 0.026 Uiso 1 1 calc R . .
C51 C 0.9124(3) 0.2723(2) 0.24761(7) 0.0218(5) Uani 1 1 d . . .
H51 H 0.9827 0.2658 0.2640 0.026 Uiso 1 1 calc R . .
C52 C 0.2970(3) 0.3890(2) 0.16888(9) 0.0239(5) Uani 1 1 d . . .
H52 H 0.2739 0.3425 0.1511 0.029 Uiso 1 1 calc R . .
C53 C 1.1010(4) 1.0444(2) 0.02272(11) 0.0316(7) Uani 1 1 d . . .
H53 H 1.1364 1.1123 0.0264 0.038 Uiso 1 1 calc R . .
C54 C 1.1200(4) 0.9968(3) -0.00795(10) 0.0331(7) Uani 1 1 d . . .
H54 H 1.1675 1.0324 -0.0254 0.040 Uiso 1 1 calc R . .
C55 C 1.0703(3) 0.8967(3) -0.01367(8) 0.0279(6) Uani 1 1 d . . .
H55 H 1.0844 0.8632 -0.0348 0.033 Uiso 1 1 calc R . .
C56 C 0.9991(3) 0.8466(2) 0.01223(7) 0.0218(5) Uani 1 1 d . . .
H56 H 0.9647 0.7784 0.0084 0.026 Uiso 1 1 calc R . .
C57 C 0.7732(3) 0.66210(18) 0.18932(6) 0.0156(4) Uani 1 1 d . . .
C58 C 0.7236(3) 0.7522(2) 0.20334(8) 0.0241(5) Uani 1 1 d . . .
H58 H 0.6979 0.8096 0.1896 0.029 Uiso 1 1 calc R . .
C59 C 0.8141(3) 0.5777(2) 0.20861(7) 0.0233(5) Uani 1 1 d . . .
H59 H 0.8511 0.5171 0.1983 0.028 Uiso 1 1 calc R . .
C60 C 0.7994(4) 0.5840(3) 0.24354(8) 0.0339(8) Uani 1 1 d . . .
H60 H 0.8249 0.5264 0.2572 0.041 Uiso 1 1 calc R . .
C61 C 0.7486(4) 0.6723(4) 0.25844(8) 0.0369(9) Uani 1 1 d . . .
H61 H 0.7384 0.6754 0.2823 0.044 Uiso 1 1 calc R . .
C62 C 0.7120(4) 0.7571(3) 0.23864(9) 0.0333(7) Uani 1 1 d . . .
H62 H 0.6790 0.8188 0.2490 0.040 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'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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
P1 Au1 Cl1 172.34(2) . .
C2 C1 C10 117.5(2) . .
C2 C1 C11 120.82(19) . .
C10 C1 C11 121.69(19) . .
O2 P1 O3 102.73(10) . .
O2 P1 O1 104.96(9) . .
O3 P1 O1 99.64(10) . .
O2 P1 Au1 110.69(7) . .
O3 P1 Au1 115.57(7) . .
O1 P1 Au1 121.13(7) . .
C2 O1 P1 120.68(14) . .
C21 Si1 C33 109.51(12) . .
C21 Si1 C27 106.62(11) . .
C33 Si1 C27 106.54(11) . .
C21 Si1 C13 111.62(10) . .
C33 Si1 C13 105.50(10) . .
C27 Si1 C13 116.81(10) . .
C1 C2 O1 118.57(19) . .
C1 C2 C3 125.51(19) . .
O1 C2 C3 115.65(18) . .
C12 O2 P1 118.66(14) . .
C35 Si2 C44 108.66(11) . .
C35 Si2 C39 108.61(10) . .
C44 Si2 C39 108.57(11) . .
C35 Si2 C3 108.00(11) . .
C44 Si2 C3 116.50(10) . .
C39 Si2 C3 106.27(10) . .
C4 C3 C2 115.28(19) . .
C4 C3 Si2 121.08(16) . .
C2 C3 Si2 122.91(15) . .
C57 O3 P1 119.15(15) . .
C3 C4 C5 122.8(2) . .
C4 C5 C6 120.1(2) . .
C4 C5 C10 119.63(19) . .
C6 C5 C10 120.2(2) . .
C7 C6 C5 120.6(2) . .
C6 C7 C8 119.8(2) . .
C9 C8 C7 120.8(2) . .
C8 C9 C10 120.9(2) . .
C5 C10 C9 117.6(2) . .
C5 C10 C1 118.9(2) . .
C9 C10 C1 123.4(2) . .
C12 C11 C20 117.11(19) . .
C12 C11 C1 121.2(2) . .
C20 C11 C1 121.71(18) . .
C11 C12 O2 117.93(19) . .
C11 C12 C13 125.8(2) . .
O2 C12 C13 116.29(17) . .
C14 C13 C12 115.24(19) . .
C14 C13 Si1 118.43(16) . .
C12 C13 Si1 126.33(17) . .
C13 C14 C15 122.6(2) . .
C14 C15 C20 119.7(2) . .
C14 C15 C16 120.6(2) . .
C20 C15 C16 119.7(2) . .
C17 C16 C15 120.6(2) . .
C16 C17 C18 120.0(2) . .
C19 C18 C17 120.9(2) . .
C18 C19 C20 120.4(2) . .
C15 C20 C19 118.4(2) . .
C15 C20 C11 118.89(18) . .
C19 C20 C11 122.7(2) . .
C26 C21 C22 117.6(2) . .
C26 C21 Si1 123.14(17) . .
C22 C21 Si1 119.08(19) . .
C23 C22 C21 121.1(3) . .
C24 C23 C22 120.5(3) . .
C23 C24 C25 119.4(3) . .
C24 C25 C26 120.3(3) . .
C21 C26 C25 121.1(2) . .
C28 C27 C32 117.2(2) . .
C28 C27 Si1 122.1(2) . .
C32 C27 Si1 120.37(19) . .
C29 C28 C27 121.1(3) . .
C30 C29 C28 120.3(3) . .
C29 C30 C31 120.0(3) . .
C32 C31 C30 119.2(3) . .
C31 C32 C27 122.2(3) . .
C56 C33 C34 117.8(2) . .
C56 C33 Si1 119.44(18) . .
C34 C33 Si1 122.6(2) . .
C53 C34 C33 120.6(3) . .
C36 C35 C38 117.4(2) . .
C36 C35 Si2 123.04(18) . .
C38 C35 Si2 119.48(19) . .
C37 C36 C35 121.3(2) . .
C36 C37 C51 120.3(3) . .
C50 C38 C35 121.7(3) . .
C41 C39 C40 117.0(2) . .
C41 C39 Si2 120.44(19) . .
C40 C39 Si2 122.58(18) . .
C49 C40 C39 121.3(3) . .
C42 C41 C39 121.2(3) . .
C43 C42 C41 120.8(3) . .
C42 C43 C49 119.3(3) . .
C45 C44 C52 117.2(2) . .
C45 C44 Si2 120.8(2) . .
C52 C44 Si2 121.65(18) . .
C46 C45 C44 121.0(3) . .
C47 C46 C45 120.4(3) . .
C46 C47 C48 119.7(3) . .
C47 C48 C52 119.9(3) . .
C40 C49 C43 120.4(3) . .
C38 C50 C51 119.9(2) . .
C50 C51 C37 119.4(2) . .
C48 C52 C44 121.6(3) . .
C54 C53 C34 120.6(3) . .
C53 C54 C55 120.5(3) . .
C54 C55 C56 118.7(3) . .
C33 C56 C55 121.9(3) . .
C58 C57 C59 122.6(3) . .
C58 C57 O3 118.0(2) . .
C59 C57 O3 119.4(2) . .
C57 C58 C62 118.0(3) . .
C57 C59 C60 118.2(3) . .
C61 C60 C59 120.9(3) . .
C60 C61 C62 119.9(3) . .
C61 C62 C58 120.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.1766(6) .
Au1 Cl1 2.2637(7) .
C1 C2 1.376(3) .
C1 C10 1.436(3) .
C1 C11 1.500(3) .
P1 O2 1.5908(17) .
P1 O3 1.5968(19) .
P1 O1 1.6014(15) .
O1 C2 1.404(3) .
Si1 C21 1.863(2) .
Si1 C33 1.875(2) .
Si1 C27 1.884(3) .
Si1 C13 1.907(2) .
C2 C3 1.423(3) .
O2 C12 1.409(3) .
Si2 C35 1.874(2) .
Si2 C44 1.877(2) .
Si2 C39 1.880(2) .
Si2 C3 1.885(2) .
C3 C4 1.386(3) .
O3 C57 1.411(3) .
C4 C5 1.414(3) .
C5 C6 1.419(3) .
C5 C10 1.424(3) .
C6 C7 1.373(4) .
C7 C8 1.412(4) .
C8 C9 1.377(3) .
C9 C10 1.429(3) .
C11 C12 1.382(3) .
C11 C20 1.432(3) .
C12 C13 1.415(3) .
C13 C14 1.384(3) .
C14 C15 1.419(3) .
C15 C20 1.423(3) .
C15 C16 1.426(3) .
C16 C17 1.369(4) .
C17 C18 1.416(4) .
C18 C19 1.375(4) .
C19 C20 1.428(3) .
C21 C26 1.394(3) .
C21 C22 1.400(3) .
C22 C23 1.391(4) .
C23 C24 1.378(5) .
C24 C25 1.381(5) .
C25 C26 1.398(4) .
C27 C28 1.402(3) .
C27 C32 1.405(4) .
C28 C29 1.395(4) .
C29 C30 1.386(5) .
C30 C31 1.396(4) .
C31 C32 1.388(4) .
C33 C56 1.393(4) .
C33 C34 1.403(3) .
C34 C53 1.391(4) .
C35 C36 1.398(4) .
C35 C38 1.406(3) .
C36 C37 1.389(4) .
C37 C51 1.395(4) .
C38 C50 1.389(4) .
C39 C41 1.400(3) .
C39 C40 1.407(4) .
C40 C49 1.387(4) .
C41 C42 1.397(4) .
C42 C43 1.365(5) .
C43 C49 1.391(5) .
C44 C45 1.403(3) .
C44 C52 1.404(4) .
C45 C46 1.391(4) .
C46 C47 1.382(6) .
C47 C48 1.384(5) .
C48 C52 1.385(4) .
C50 C51 1.392(5) .
C53 C54 1.373(6) .
C54 C55 1.393(5) .
C55 C56 1.397(4) .
C57 C58 1.372(3) .
C57 C59 1.385(4) .
C58 C62 1.404(5) .
C59 C60 1.393(4) .
C60 C61 1.371(6) .
C61 C62 1.389(6) .
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
Cl1 Au1 P1 O2 -56.4(2) . . . .
Cl1 Au1 P1 O3 59.8(2) . . . .
Cl1 Au1 P1 O1 -180(33) . . . .
O2 P1 O1 C2 -39.26(18) . . . .
O3 P1 O1 C2 -145.32(16) . . . .
Au1 P1 O1 C2 86.79(17) . . . .
C10 C1 C2 O1 -179.27(19) . . . .
C11 C1 C2 O1 -0.2(3) . . . .
C10 C1 C2 C3 7.0(3) . . . .
C11 C1 C2 C3 -173.9(2) . . . .
P1 O1 C2 C1 69.7(2) . . . .
P1 O1 C2 C3 -115.96(19) . . . .
O3 P1 O2 C12 53.07(16) . . . .
O1 P1 O2 C12 -50.70(17) . . . .
Au1 P1 O2 C12 177.01(13) . . . .
C1 C2 C3 C4 -5.4(3) . . . .
O1 C2 C3 C4 -179.31(19) . . . .
C1 C2 C3 Si2 164.89(18) . . . .
O1 C2 C3 Si2 -9.0(3) . . . .
C35 Si2 C3 C4 113.5(2) . . . .
C44 Si2 C3 C4 -124.0(2) . . . .
C39 Si2 C3 C4 -2.9(2) . . . .
C35 Si2 C3 C2 -56.3(2) . . . .
C44 Si2 C3 C2 66.3(2) . . . .
C39 Si2 C3 C2 -172.68(18) . . . .
O2 P1 O3 C57 175.75(17) . . . .
O1 P1 O3 C57 -76.39(18) . . . .
Au1 P1 O3 C57 55.11(18) . . . .
C2 C3 C4 C5 -0.2(3) . . . .
Si2 C3 C4 C5 -170.66(18) . . . .
C3 C4 C5 C6 -177.8(2) . . . .
C3 C4 C5 C10 3.7(4) . . . .
C4 C5 C6 C7 -178.9(3) . . . .
C10 C5 C6 C7 -0.4(4) . . . .
C5 C6 C7 C8 0.2(4) . . . .
C6 C7 C8 C9 -0.5(4) . . . .
C7 C8 C9 C10 1.0(4) . . . .
C4 C5 C10 C9 179.4(2) . . . .
C6 C5 C10 C9 0.8(3) . . . .
C4 C5 C10 C1 -2.0(3) . . . .
C6 C5 C10 C1 179.5(2) . . . .
C8 C9 C10 C5 -1.2(4) . . . .
C8 C9 C10 C1 -179.7(2) . . . .
C2 C1 C10 C5 -3.0(3) . . . .
C11 C1 C10 C5 177.9(2) . . . .
C2 C1 C10 C9 175.6(2) . . . .
C11 C1 C10 C9 -3.6(3) . . . .
C2 C1 C11 C12 -54.3(3) . . . .
C10 C1 C11 C12 124.8(2) . . . .
C2 C1 C11 C20 124.3(2) . . . .
C10 C1 C11 C20 -56.6(3) . . . .
C20 C11 C12 O2 -171.56(19) . . . .
C1 C11 C12 O2 7.1(3) . . . .
C20 C11 C12 C13 10.1(3) . . . .
C1 C11 C12 C13 -171.3(2) . . . .
P1 O2 C12 C11 69.9(2) . . . .
P1 O2 C12 C13 -111.55(19) . . . .
C11 C12 C13 C14 -5.9(3) . . . .
O2 C12 C13 C14 175.7(2) . . . .
C11 C12 C13 Si1 174.38(18) . . . .
O2 C12 C13 Si1 -4.0(3) . . . .
C21 Si1 C13 C14 -88.8(2) . . . .
C33 Si1 C13 C14 30.1(2) . . . .
C27 Si1 C13 C14 148.16(19) . . . .
C21 Si1 C13 C12 90.9(2) . . . .
C33 Si1 C13 C12 -150.2(2) . . . .
C27 Si1 C13 C12 -32.1(2) . . . .
C12 C13 C14 C15 -1.1(3) . . . .
Si1 C13 C14 C15 178.61(18) . . . .
C13 C14 C15 C20 3.4(4) . . . .
C13 C14 C15 C16 -175.1(2) . . . .
C14 C15 C16 C17 177.7(2) . . . .
C20 C15 C16 C17 -0.8(4) . . . .
C15 C16 C17 C18 -0.4(4) . . . .
C16 C17 C18 C19 0.9(4) . . . .
C17 C18 C19 C20 -0.2(4) . . . .
C14 C15 C20 C19 -177.0(2) . . . .
C16 C15 C20 C19 1.5(3) . . . .
C14 C15 C20 C11 0.9(3) . . . .
C16 C15 C20 C11 179.4(2) . . . .
C18 C19 C20 C15 -1.0(3) . . . .
C18 C19 C20 C11 -178.9(2) . . . .
C12 C11 C20 C15 -7.1(3) . . . .
C1 C11 C20 C15 174.25(19) . . . .
C12 C11 C20 C19 170.8(2) . . . .
C1 C11 C20 C19 -7.9(3) . . . .
C33 Si1 C21 C26 -100.4(2) . . . .
C27 Si1 C21 C26 144.7(2) . . . .
C13 Si1 C21 C26 16.1(3) . . . .
C33 Si1 C21 C22 74.1(3) . . . .
C27 Si1 C21 C22 -40.8(3) . . . .
C13 Si1 C21 C22 -169.5(2) . . . .
C26 C21 C22 C23 1.0(5) . . . .
Si1 C21 C22 C23 -173.8(3) . . . .
C21 C22 C23 C24 -1.3(6) . . . .
C22 C23 C24 C25 0.7(6) . . . .
C23 C24 C25 C26 0.2(5) . . . .
C22 C21 C26 C25 -0.1(4) . . . .
Si1 C21 C26 C25 174.4(2) . . . .
C24 C25 C26 C21 -0.5(4) . . . .
C21 Si1 C27 C28 132.5(2) . . . .
C33 Si1 C27 C28 15.6(2) . . . .
C13 Si1 C27 C28 -101.9(2) . . . .
C21 Si1 C27 C32 -40.1(2) . . . .
C33 Si1 C27 C32 -157.0(2) . . . .
C13 Si1 C27 C32 85.5(2) . . . .
C32 C27 C28 C29 -0.3(4) . . . .
Si1 C27 C28 C29 -173.1(2) . . . .
C27 C28 C29 C30 -1.0(4) . . . .
C28 C29 C30 C31 1.1(4) . . . .
C29 C30 C31 C32 0.1(5) . . . .
C30 C31 C32 C27 -1.4(5) . . . .
C28 C27 C32 C31 1.5(4) . . . .
Si1 C27 C32 C31 174.5(2) . . . .
C21 Si1 C33 C56 168.2(2) . . . .
C27 Si1 C33 C56 -76.9(2) . . . .
C13 Si1 C33 C56 47.9(2) . . . .
C21 Si1 C33 C34 -16.5(3) . . . .
C27 Si1 C33 C34 98.4(2) . . . .
C13 Si1 C33 C34 -136.8(2) . . . .
C56 C33 C34 C53 0.5(4) . . . .
Si1 C33 C34 C53 -174.9(3) . . . .
C44 Si2 C35 C36 -133.2(2) . . . .
C39 Si2 C35 C36 108.9(2) . . . .
C3 Si2 C35 C36 -6.0(2) . . . .
C44 Si2 C35 C38 50.0(2) . . . .
C39 Si2 C35 C38 -67.9(2) . . . .
C3 Si2 C35 C38 177.25(18) . . . .
C38 C35 C36 C37 1.6(4) . . . .
Si2 C35 C36 C37 -175.23(19) . . . .
C35 C36 C37 C51 -1.1(4) . . . .
C36 C35 C38 C50 -0.9(4) . . . .
Si2 C35 C38 C50 176.00(19) . . . .
C35 Si2 C39 C41 1.0(2) . . . .
C44 Si2 C39 C41 -117.0(2) . . . .
C3 Si2 C39 C41 116.9(2) . . . .
C35 Si2 C39 C40 179.3(2) . . . .
C44 Si2 C39 C40 61.3(2) . . . .
C3 Si2 C39 C40 -64.7(2) . . . .
C41 C39 C40 C49 1.0(4) . . . .
Si2 C39 C40 C49 -177.4(2) . . . .
C40 C39 C41 C42 -0.7(4) . . . .
Si2 C39 C41 C42 177.7(2) . . . .
C39 C41 C42 C43 0.4(5) . . . .
C41 C42 C43 C49 -0.4(5) . . . .
C35 Si2 C44 C45 12.8(2) . . . .
C39 Si2 C44 C45 130.8(2) . . . .
C3 Si2 C44 C45 -109.4(2) . . . .
C35 Si2 C44 C52 -160.4(2) . . . .
C39 Si2 C44 C52 -42.5(2) . . . .
C3 Si2 C44 C52 77.4(2) . . . .
C52 C44 C45 C46 2.9(4) . . . .
Si2 C44 C45 C46 -170.6(2) . . . .
C44 C45 C46 C47 -0.7(4) . . . .
C45 C46 C47 C48 -2.7(5) . . . .
C46 C47 C48 C52 3.8(5) . . . .
C39 C40 C49 C43 -1.0(5) . . . .
C42 C43 C49 C40 0.7(5) . . . .
C35 C38 C50 C51 -0.2(4) . . . .
C38 C50 C51 C37 0.7(4) . . . .
C36 C37 C51 C50 -0.1(4) . . . .
C47 C48 C52 C44 -1.5(5) . . . .
C45 C44 C52 C48 -1.8(4) . . . .
Si2 C44 C52 C48 171.7(2) . . . .
C33 C34 C53 C54 0.2(5) . . . .
C34 C53 C54 C55 -0.9(5) . . . .
C53 C54 C55 C56 0.9(5) . . . .
C34 C33 C56 C55 -0.4(4) . . . .
Si1 C33 C56 C55 175.1(2) . . . .
C54 C55 C56 C33 -0.2(5) . . . .
P1 O3 C57 C58 -104.8(2) . . . .
P1 O3 C57 C59 76.6(3) . . . .
C59 C57 C58 C62 -1.2(4) . . . .
O3 C57 C58 C62 -179.7(3) . . . .
C58 C57 C59 C60 2.3(4) . . . .
O3 C57 C59 C60 -179.2(3) . . . .
C57 C59 C60 C61 -1.4(5) . . . .
C59 C60 C61 C62 -0.5(5) . . . .
C60 C61 C62 C58 1.6(5) . . . .
C57 C58 C62 C61 -0.7(5) . . . .
