#------------------------------------------------------------------------------
#$Date: 2024-12-06 18:55:44 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296427 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/26/1572643.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_1572643
loop_
_publ_author_name
'León, Félix'
'García-Rodeja, Yago'
'Mallet-Ladeira, Sonia'
'Miqueu, Karinne'
'Szalóki, György'
'Bourissou, Didier'
_publ_section_title
;
 Catechol/o-benzoquinone exchange at gold(iii).
;
_journal_issue                   40
_journal_name_full               'Chemical science'
_journal_page_first              16651
_journal_page_last               16659
_journal_paper_doi               10.1039/d4sc04374j
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C30 H40 Au O2 P, 0.33(C4 H10 O)'
_chemical_formula_sum            'C31.32 H43.3 Au O2.33 P'
_chemical_formula_weight         685.02
_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2024-02-09 deposited with the CCDC.	2024-09-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   28.7347(9)
_cell_length_b                   28.7347(9)
_cell_length_c                   20.9068(10)
_cell_measurement_reflns_used    9751
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.74
_cell_measurement_theta_min      2.54
_cell_volume                     14949.7(10)
_computing_cell_refinement       SAINT
_computing_data_collection       APEX2
_computing_data_reduction        SAINT
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  triumph
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_unetI/netI     0.0218
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            127299
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.521
_diffrn_reflns_theta_min         2.835
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.5
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.37
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6189
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.45
_refine_diff_density_min         -1.327
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         7640
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.044
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.016
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0328P)²+80.6080P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0766
_reflns_Friedel_coverage         0
_reflns_number_gt                6248
_reflns_number_total             7640
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc04374j2.cif
_cod_data_source_block           FL395
_cod_depositor_comments
'Adding full bibliography for 1572639--1572645.cif.'
_cod_original_cell_volume        14949.7(12)
_cod_original_formula_sum        'C31.32 H43.30 Au O2.33 P'
_cod_database_code               1572643
_shelx_shelxl_version_number     2018/3
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.58659(2) 0.69359(2) 0.60615(2) 0.03460(6) Uani 1 1 d . . . . .
C1 C 0.61065(19) 0.63218(19) 0.7160(2) 0.0479(10) Uani 1 1 d . . . . .
C2 C 0.65783(17) 0.68043(17) 0.69947(19) 0.0424(9) Uani 1 1 d . . . . .
C3 C 0.65722(16) 0.71409(17) 0.64954(19) 0.0410(9) Uani 1 1 d . . . . .
C4 C 0.70390(18) 0.7581(2) 0.6311(2) 0.0531(11) Uani 1 1 d . . . . .
H4 H 0.703825 0.780181 0.597298 0.064 Uiso 1 1 calc R U . . .
C5 C 0.7527(2) 0.7710(2) 0.6625(3) 0.0664(14) Uani 1 1 d . . . . .
H5 H 0.785246 0.801222 0.648438 0.08 Uiso 1 1 calc R U . . .
C6 C 0.7539(2) 0.7409(2) 0.7124(3) 0.0664(14) Uani 1 1 d . . . . .
H6 H 0.786881 0.751042 0.733557 0.08 Uiso 1 1 calc R U . . .
C7 C 0.70658(19) 0.6951(2) 0.7327(2) 0.0529(11) Uani 1 1 d . . . . .
C8 C 0.7049(2) 0.6620(2) 0.7834(2) 0.0636(14) Uani 1 1 d . . . . .
H8 H 0.736714 0.671348 0.806742 0.076 Uiso 1 1 calc R U . . .
C9 C 0.6582(3) 0.6167(3) 0.7995(3) 0.0683(15) Uani 1 1 d . . . . .
H9 H 0.657986 0.595473 0.834516 0.082 Uiso 1 1 calc R U . . .
C10 C 0.6102(2) 0.6006(2) 0.7652(2) 0.0618(13) Uani 1 1 d . . . . .
H10 H 0.578182 0.568479 0.776134 0.074 Uiso 1 1 calc R U . . .
C11 C 0.49821(19) 0.60652(19) 0.7181(2) 0.0544(12) Uani 1 1 d . . . . .
H11 H 0.490017 0.574371 0.744653 0.065 Uiso 1 1 calc R U . . .
C12 C 0.4475(2) 0.5927(3) 0.6807(3) 0.091(2) Uani 1 1 d . . . . .
H12A H 0.418276 0.585241 0.710647 0.137 Uiso 1 1 calc R U . . .
H12B H 0.43732 0.560969 0.654184 0.137 Uiso 1 1 calc R U . . .
H12C H 0.454131 0.623127 0.653329 0.137 Uiso 1 1 calc R U . . .
C13 C 0.5138(3) 0.6531(2) 0.7639(3) 0.0744(17) Uani 1 1 d . . . . .
H13A H 0.520275 0.684993 0.73979 0.112 Uiso 1 1 calc R U . . .
H13B H 0.54653 0.660636 0.786998 0.112 Uiso 1 1 calc R U . . .
H13C H 0.484586 0.64357 0.794604 0.112 Uiso 1 1 calc R U . . .
C14 C 0.5343(2) 0.56137(19) 0.6129(3) 0.0594(12) Uani 1 1 d . . . . .
H14 H 0.500754 0.55443 0.590223 0.071 Uiso 1 1 calc R U . . .
C15 C 0.5216(3) 0.5112(2) 0.6489(3) 0.0862(19) Uani 1 1 d . . . . .
H15A H 0.507588 0.480723 0.619251 0.129 Uiso 1 1 calc R U . . .
H15B H 0.494625 0.504268 0.681845 0.129 Uiso 1 1 calc R U . . .
H15C H 0.554393 0.51575 0.669254 0.129 Uiso 1 1 calc R U . . .
C16 C 0.5775(3) 0.5740(2) 0.5617(3) 0.0785(17) Uani 1 1 d . . . . .
H16A H 0.611971 0.584958 0.582523 0.118 Uiso 1 1 calc R U . . .
H16B H 0.580896 0.603243 0.53425 0.118 Uiso 1 1 calc R U . . .
H16C H 0.567034 0.541937 0.535615 0.118 Uiso 1 1 calc R U . . .
C17 C 0.52704(15) 0.70770(14) 0.51033(18) 0.0343(8) Uani 1 1 d . . . . .
C18 C 0.48914(15) 0.69877(15) 0.4627(2) 0.0401(9) Uani 1 1 d . . . . .
C19 C 0.50258(18) 0.73896(17) 0.4171(2) 0.0453(9) Uani 1 1 d . . . . .
H19 H 0.476765 0.73375 0.385333 0.054 Uiso 1 1 calc R U . . .
C21 C 0.59010(16) 0.79343(16) 0.46202(19) 0.0401(9) Uani 1 1 d . . . . .
H21 H 0.624441 0.825046 0.461888 0.048 Uiso 1 1 calc R U . . .
C22 C 0.57793(15) 0.75437(15) 0.50809(18) 0.0342(8) Uani 1 1 d . . . . .
C23 C 0.43442(17) 0.64572(18) 0.4617(3) 0.0539(12) Uani 1 1 d . . . . .
C24 C 0.40284(19) 0.6418(2) 0.5223(3) 0.0701(16) Uani 1 1 d . . . . .
H24A H 0.396439 0.672184 0.524056 0.105 Uiso 1 1 calc R U . . .
H24B H 0.423524 0.642491 0.559956 0.105 Uiso 1 1 calc R U . . .
H24C H 0.368346 0.608067 0.521779 0.105 Uiso 1 1 calc R U . . .
C25 C 0.4441(2) 0.59746(18) 0.4585(3) 0.0656(15) Uani 1 1 d . . . . .
H25A H 0.463244 0.596897 0.496979 0.098 Uiso 1 1 calc R U . . .
H25B H 0.465697 0.600894 0.420584 0.098 Uiso 1 1 calc R U . . .
H25C H 0.409498 0.56399 0.455772 0.098 Uiso 1 1 calc R U . . .
C26 C 0.4010(2) 0.6419(2) 0.4030(3) 0.0808(19) Uani 1 1 d . . . . .
H26A H 0.367376 0.607329 0.403242 0.121 Uiso 1 1 calc R U . . .
H26B H 0.421294 0.644736 0.364071 0.121 Uiso 1 1 calc R U . . .
H26C H 0.392859 0.671203 0.403908 0.121 Uiso 1 1 calc R U . . .
C20 C 0.55227(17) 0.78657(17) 0.4159(2) 0.0426(9) Uani 1 1 d D . . . .
C27 C 0.5654(2) 0.8286(2) 0.3634(2) 0.0566(12) Uani 1 1 d D . . . .
C28 C 0.5200(4) 0.8413(4) 0.3568(6) 0.085(3) Uani 0.765(14) 1 d D U P A 1
H28A H 0.528219 0.866995 0.321791 0.128 Uiso 0.765(14) 1 calc R U P A 1
H28B H 0.516275 0.856922 0.396793 0.128 Uiso 0.765(14) 1 calc R U P A 1
H28C H 0.486259 0.808172 0.347476 0.128 Uiso 0.765(14) 1 calc R U P A 1
C29 C 0.5781(6) 0.8102(5) 0.3017(4) 0.092(4) Uani 0.765(14) 1 d D U P A 1
H29A H 0.607861 0.803379 0.308564 0.139 Uiso 0.765(14) 1 calc R U P A 1
H29B H 0.5883 0.838204 0.269085 0.139 Uiso 0.765(14) 1 calc R U P A 1
H29C H 0.546326 0.777137 0.287212 0.139 Uiso 0.765(14) 1 calc R U P A 1
C30 C 0.6157(4) 0.8838(3) 0.3820(4) 0.072(2) Uani 0.765(14) 1 d D U P A 1
H30A H 0.647889 0.880294 0.381622 0.108 Uiso 0.765(14) 1 calc R U P A 1
H30B H 0.610559 0.894257 0.42491 0.108 Uiso 0.765(14) 1 calc R U P A 1
H30C H 0.620001 0.911365 0.351133 0.108 Uiso 0.765(14) 1 calc R U P A 1
C28' C 0.5135(8) 0.8135(11) 0.3236(13) 0.077(6) Uani 0.235(14) 1 d D U P A 2
H28D H 0.501439 0.779225 0.301764 0.116 Uiso 0.235(14) 1 calc R U P A 2
H28E H 0.521419 0.841665 0.291918 0.116 Uiso 0.235(14) 1 calc R U P A 2
H28F H 0.485078 0.810321 0.352419 0.116 Uiso 0.235(14) 1 calc R U P A 2
C29' C 0.6050(12) 0.8252(14) 0.3182(12) 0.067(7) Uani 0.235(14) 1 d D U P A 2
H29D H 0.636909 0.831522 0.342203 0.101 Uiso 0.235(14) 1 calc R U P A 2
H29E H 0.615431 0.852514 0.284725 0.101 Uiso 0.235(14) 1 calc R U P A 2
H29F H 0.588095 0.789466 0.29867 0.101 Uiso 0.235(14) 1 calc R U P A 2
C30' C 0.5841(14) 0.8837(7) 0.3900(11) 0.082(6) Uani 0.235(14) 1 d D U P A 2
H30D H 0.553082 0.886116 0.405066 0.122 Uiso 0.235(14) 1 calc R U P A 2
H30E H 0.602868 0.910673 0.356615 0.122 Uiso 0.235(14) 1 calc R U P A 2
H30F H 0.608697 0.89041 0.425871 0.122 Uiso 0.235(14) 1 calc R U P A 2
O1 O 0.51749(10) 0.67165(11) 0.55768(13) 0.0401(6) Uani 1 1 d . . . . .
O2 O 0.61590(10) 0.76102(10) 0.55189(12) 0.0377(6) Uani 1 1 d . . . . .
P1 P 0.55404(4) 0.61921(4) 0.66648(5) 0.0411(2) Uani 1 1 d . . . . .
C31 C 0.7902(8) 0.9007(10) 0.5473(13) 0.191(11) Uani 0.33 1 d D U P B -1
H31A H 0.771153 0.879823 0.585194 0.286 Uiso 0.33 1 calc R U P B -1
H31B H 0.766589 0.886828 0.509915 0.286 Uiso 0.33 1 calc R U P B -1
H31C H 0.800876 0.938526 0.553941 0.286 Uiso 0.33 1 calc R U P B -1
C32 C 0.8395(7) 0.8961(6) 0.5362(15) 0.189(10) Uani 0.33 1 d D U P B -1
H32A H 0.860702 0.922847 0.502818 0.226 Uiso 0.33 1 calc R U P B -1
H32B H 0.860962 0.908654 0.576062 0.226 Uiso 0.33 1 calc R U P B -1
O3 O 0.8383(6) 0.8512(6) 0.5199(10) 0.196(9) Uani 0.33 1 d D U P B -1
C33 C 0.8819(6) 0.8514(7) 0.4992(15) 0.196(9) Uani 0.33 1 d D U P B -1
H33A H 0.908583 0.86695 0.534195 0.235 Uiso 0.33 1 calc R U P B -1
H33B H 0.896061 0.877551 0.463537 0.235 Uiso 0.33 1 calc R U P B -1
C34 C 0.8829(11) 0.8023(9) 0.4766(14) 0.196(10) Uani 0.33 1 d D U P B -1
H34A H 0.881079 0.800641 0.429757 0.295 Uiso 0.33 1 calc R U P B -1
H34B H 0.852013 0.770067 0.494381 0.295 Uiso 0.33 1 calc R U P B -1
H34C H 0.916218 0.80401 0.490823 0.295 Uiso 0.33 1 calc R U P B -1
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 0 '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'
O O 0.0106 0.006 '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'
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
C3 Au1 O1 176.34(14) . . ?
C3 Au1 O2 95.48(15) . . ?
O1 Au1 O2 83.81(10) . . ?
C3 Au1 P1 84.54(13) . . ?
O1 Au1 P1 96.18(8) . . ?
O2 Au1 P1 179.74(9) . . ?
C10 C1 C2 121.3(4) . . ?
C10 C1 P1 125.9(4) . . ?
C2 C1 P1 112.7(3) . . ?
C1 C2 C7 119.3(4) . . ?
C1 C2 C3 120.8(4) . . ?
C7 C2 C3 119.9(4) . . ?
C4 C3 C2 119.8(4) . . ?
C4 C3 Au1 121.5(3) . . ?
C2 C3 Au1 118.7(3) . . ?
C3 C4 C5 119.9(5) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 121.5(5) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C7 120.3(5) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C6 C7 C8 123.4(5) . . ?
C6 C7 C2 118.6(5) . . ?
C8 C7 C2 118.0(5) . . ?
C9 C8 C7 121.1(5) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C8 C9 C10 121.3(5) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C1 C10 C9 118.8(5) . . ?
C1 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C13 C11 C12 112.0(5) . . ?
C13 C11 P1 110.9(3) . . ?
C12 C11 P1 112.5(4) . . ?
C13 C11 H11 107 . . ?
C12 C11 H11 107 . . ?
P1 C11 H11 107 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C16 110.8(5) . . ?
C15 C14 P1 112.2(4) . . ?
C16 C14 P1 111.2(4) . . ?
C15 C14 H14 107.4 . . ?
C16 C14 H14 107.4 . . ?
P1 C14 H14 107.4 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C17 C18 122.4(3) . . ?
O1 C17 C22 118.0(3) . . ?
C18 C17 C22 119.6(4) . . ?
C19 C18 C17 117.8(4) . . ?
C19 C18 C23 121.9(4) . . ?
C17 C18 C23 120.3(4) . . ?
C18 C19 C20 123.1(4) . . ?
C18 C19 H19 118.4 . . ?
C20 C19 H19 118.4 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
O2 C22 C21 119.6(3) . . ?
O2 C22 C17 119.3(3) . . ?
C21 C22 C17 121.1(4) . . ?
C26 C23 C24 109.4(4) . . ?
C26 C23 C25 106.8(4) . . ?
C24 C23 C25 109.6(4) . . ?
C26 C23 C18 112.0(4) . . ?
C24 C23 C18 109.5(4) . . ?
C25 C23 C18 109.5(4) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C21 C20 C19 118.0(4) . . ?
C21 C20 C27 121.2(4) . . ?
C19 C20 C27 120.8(4) . . ?
C30' C27 C29' 114.4(16) . . ?
C29 C27 C28 113.1(7) . . ?
C30' C27 C20 112.4(10) . . ?
C29 C27 C20 110.1(6) . . ?
C29' C27 C20 107.0(11) . . ?
C28 C27 C20 110.5(4) . . ?
C30' C27 C28' 106.1(13) . . ?
C29' C27 C28' 107.1(14) . . ?
C20 C27 C28' 109.7(9) . . ?
C29 C27 C30 107.8(6) . . ?
C28 C27 C30 104.2(6) . . ?
C20 C27 C30 110.9(5) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C27 C28' H28D 109.5 . . ?
C27 C28' H28E 109.5 . . ?
H28D C28' H28E 109.5 . . ?
C27 C28' H28F 109.5 . . ?
H28D C28' H28F 109.5 . . ?
H28E C28' H28F 109.5 . . ?
C27 C29' H29D 109.5 . . ?
C27 C29' H29E 109.5 . . ?
H29D C29' H29E 109.5 . . ?
C27 C29' H29F 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C27 C30' H30D 109.5 . . ?
C27 C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C27 C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
C17 O1 Au1 109.5(2) . . ?
C22 O2 Au1 108.7(2) . . ?
C1 P1 C11 108.4(2) . . ?
C1 P1 C14 112.0(2) . . ?
C11 P1 C14 109.7(2) . . ?
C1 P1 Au1 102.86(16) . . ?
C11 P1 Au1 115.57(15) . . ?
C14 P1 Au1 108.13(17) . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O3 C32 C31 124.1(13) . . ?
O3 C32 H32A 106.3 . . ?
C31 C32 H32A 106.3 . . ?
O3 C32 H32B 106.3 . . ?
C31 C32 H32B 106.3 . . ?
H32A C32 H32B 106.4 . . ?
C33 O3 C32 121.2(17) . . ?
O3 C33 C34 124.1(13) . . ?
O3 C33 H33A 106.3 . . ?
C34 C33 H33A 106.3 . . ?
O3 C33 H33B 106.3 . . ?
C34 C33 H33B 106.3 . . ?
H33A C33 H33B 106.4 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
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 C3 2.023(4) . ?
Au1 O1 2.028(3) . ?
Au1 O2 2.029(3) . ?
Au1 P1 2.2438(11) . ?
C1 C10 1.368(6) . ?
C1 C2 1.414(6) . ?
C1 P1 1.802(5) . ?
C2 C7 1.425(6) . ?
C2 C3 1.429(6) . ?
C3 C4 1.361(6) . ?
C4 C5 1.419(6) . ?
C4 H4 0.95 . ?
C5 C6 1.368(8) . ?
C5 H5 0.95 . ?
C6 C7 1.403(7) . ?
C6 H6 0.95 . ?
C7 C8 1.409(7) . ?
C8 C9 1.364(8) . ?
C8 H8 0.95 . ?
C9 C10 1.411(7) . ?
C9 H9 0.95 . ?
C10 H10 0.95 . ?
C11 C13 1.520(8) . ?
C11 C12 1.521(8) . ?
C11 P1 1.813(5) . ?
C11 H11 1 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 C15 1.502(7) . ?
C14 C16 1.539(8) . ?
C14 P1 1.843(5) . ?
C14 H14 1 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 O1 1.358(4) . ?
C17 C18 1.401(5) . ?
C17 C22 1.406(5) . ?
C18 C19 1.395(6) . ?
C18 C23 1.549(6) . ?
C19 C20 1.399(6) . ?
C19 H19 0.95 . ?
C21 C22 1.385(5) . ?
C21 C20 1.391(6) . ?
C21 H21 0.95 . ?
C22 O2 1.363(5) . ?
C23 C26 1.528(7) . ?
C23 C24 1.530(8) . ?
C23 C25 1.546(6) . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C20 C27 1.534(6) . ?
C27 C30' 1.503(16) . ?
C27 C29 1.506(9) . ?
C27 C29' 1.517(15) . ?
C27 C28 1.527(8) . ?
C27 C28' 1.568(16) . ?
C27 C30 1.570(9) . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C28' H28D 0.98 . ?
C28' H28E 0.98 . ?
C28' H28F 0.98 . ?
C29' H29D 0.98 . ?
C29' H29E 0.98 . ?
C29' H29F 0.98 . ?
C30' H30D 0.98 . ?
C30' H30E 0.98 . ?
C30' H30F 0.98 . ?
C31 C32 1.505(9) . ?
C31 H31A 0.98 . ?
C31 H31B 0.98 . ?
C31 H31C 0.98 . ?
C32 O3 1.320(9) . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
O3 C33 1.320(9) . ?
C33 C34 1.505(9) . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
