#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:28:57 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263710 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/02/1560244.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_1560244
loop_
_publ_author_name
'Handelmann, Jens'
'Babu, Chatla Naga'
'Steinert, Henning'
'Schwarz, Christopher'
'Scherpf, Thorsten'
'Kroll, Alexander'
'Gessner, Viktoria H.'
_publ_section_title
;
 Towards the rational design of ylide-substituted phosphines for
 gold(i)-catalysis: from inactive to ppm-level catalysis
;
_journal_issue                   12
_journal_name_full               'Chemical Science'
_journal_page_first              4329
_journal_page_last               4337
_journal_paper_doi               10.1039/D1SC00105A
_journal_volume                  12
_journal_year                    2021
_chemical_formula_moiety         'C37 H42 Au Cl P2, C4 H8 O'
_chemical_formula_sum            'C41 H50 Au Cl O P2'
_chemical_formula_weight         853.16
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-02-10 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                97.739(3)
_cell_angle_beta                 91.819(3)
_cell_angle_gamma                94.738(3)
_cell_formula_units_Z            2
_cell_length_a                   9.3045(4)
_cell_length_b                   10.5020(4)
_cell_length_c                   18.6397(6)
_cell_measurement_reflns_used    7669
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.0100
_cell_measurement_theta_min      4.5380
_cell_volume                     1796.94(12)
_computing_cell_refinement       'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4409
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0426
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12891
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.249
_diffrn_reflns_theta_min         4.265
_exptl_absorpt_coefficient_mu    9.452
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.648
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
'CrysAlisPro 1.171.40.20a (Rigaku Oxford Diffraction, 2018) Numerical absorption correction based on gaussian integration over multifaceted crystal model Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm.'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_description       block
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.181
_exptl_crystal_size_mid          0.141
_exptl_crystal_size_min          0.064
_refine_diff_density_max         2.728
_refine_diff_density_min         -2.476
_refine_diff_density_rms         0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         7276
_refine_ls_number_restraints     236
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1011P)²+0.7927P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1291
_refine_ls_wR_factor_ref         0.1332
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6917
_reflns_number_total             7276
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc00105a2.cif
_cod_data_source_block           shelxt_a
_cod_depositor_comments
'Adding full bibliography for 1560241--1560250.cif.'
_cod_database_code               1560244
_shelx_shelxl_version_number     2018/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_exptl_absorpt_special_details   gaussian
loop_
_space_group_symop_operation_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_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 0.99176(2) 0.62858(2) 0.21713(2) 0.02152(10) Uani 1 1 d . . . . .
Cl1 Cl 1.21582(13) 0.71508(14) 0.26263(8) 0.0329(3) Uani 1 1 d . . . . .
P1 P 0.72095(11) 0.43643(10) 0.30601(5) 0.0191(2) Uani 1 1 d . . . . .
C1 C 0.6616(4) 0.4681(4) 0.2222(2) 0.0207(8) Uani 1 1 d . . . . .
P2 P 0.77596(12) 0.54759(11) 0.16609(6) 0.0181(2) Uani 1 1 d . . . . .
C2 C 0.5256(4) 0.3920(4) 0.1900(2) 0.0209(8) Uani 1 1 d . . . . .
C3 C 0.4098(5) 0.4545(5) 0.1643(2) 0.0238(8) Uani 1 1 d . . . . .
H3 H 0.418318 0.545826 0.167270 0.029 Uiso 1 1 calc R U . . .
C4 C 0.2833(5) 0.3845(5) 0.1348(2) 0.0277(10) Uani 1 1 d . . . . .
H4 H 0.207488 0.428473 0.116932 0.033 Uiso 1 1 calc R U . . .
C9 C 0.4438(5) 0.4792(5) 0.3460(3) 0.0266(9) Uani 1 1 d . . . . .
H9 H 0.443854 0.528818 0.306972 0.032 Uiso 1 1 calc R U . . .
C6 C 0.3797(5) 0.1872(5) 0.1568(3) 0.0281(9) Uani 1 1 d . . . . .
H6 H 0.369806 0.096062 0.154836 0.034 Uiso 1 1 calc R U . . .
C5 C 0.2665(5) 0.2515(5) 0.1311(2) 0.0256(9) Uani 1 1 d . . . . .
H5 H 0.179384 0.204386 0.111375 0.031 Uiso 1 1 calc R U . . .
C8 C 0.5653(5) 0.4149(5) 0.3607(2) 0.0230(8) Uani 1 1 d . . . . .
C7 C 0.5071(5) 0.2581(5) 0.1853(2) 0.0230(8) Uani 1 1 d . . . . .
H7 H 0.583615 0.213615 0.202097 0.028 Uiso 1 1 calc R U . . .
C10 C 0.3237(5) 0.4712(6) 0.3877(3) 0.0313(10) Uani 1 1 d . . . . .
H10 H 0.240762 0.512877 0.376281 0.038 Uiso 1 1 calc R U . . .
C11 C 0.3249(6) 0.4024(6) 0.4460(3) 0.0349(11) Uani 1 1 d . . . . .
H11 H 0.242069 0.396237 0.474292 0.042 Uiso 1 1 calc R U . . .
C14 C 0.8238(5) 0.2942(4) 0.3062(2) 0.0222(8) Uani 1 1 d . . . . .
C13 C 0.5668(5) 0.3498(5) 0.4214(2) 0.0277(9) Uani 1 1 d . . . . .
H13 H 0.650553 0.310437 0.434127 0.033 Uiso 1 1 calc R U . . .
C12 C 0.4455(6) 0.3427(5) 0.4635(3) 0.0315(10) Uani 1 1 d . . . . .
H12 H 0.446040 0.296733 0.504001 0.038 Uiso 1 1 calc R U . . .
C15 C 0.7567(5) 0.1755(5) 0.3159(2) 0.0258(9) Uani 1 1 d . . . . .
H15 H 0.658680 0.168297 0.328691 0.031 Uiso 1 1 calc R U . . .
C18 C 0.8341(6) 0.0662(5) 0.3066(3) 0.0314(11) Uani 1 1 d . . . . .
H18 H 0.789305 -0.015084 0.314497 0.038 Uiso 1 1 calc R U . . .
C19 C 0.9743(6) 0.0762(6) 0.2862(3) 0.0362(12) Uani 1 1 d . . . . .
H19 H 1.024855 0.000973 0.278158 0.043 Uiso 1 1 calc R U . . .
C20 C 1.0431(6) 0.1944(5) 0.2773(3) 0.0309(10) Uani 1 1 d . . . . .
H20 H 1.141542 0.200838 0.265162 0.037 Uiso 1 1 calc R U . . .
C21 C 0.9674(5) 0.3036(5) 0.2862(2) 0.0276(9) Uani 1 1 d . . . . .
H21 H 1.013258 0.384712 0.278725 0.033 Uiso 1 1 calc R U . . .
C22 C 0.8298(5) 0.5696(4) 0.3603(2) 0.0218(8) Uani 1 1 d . . . . .
C23 C 0.9485(5) 0.5489(5) 0.4044(2) 0.0235(8) Uani 1 1 d . . . . .
H23 H 0.980580 0.465002 0.402217 0.028 Uiso 1 1 calc R U . . .
C24 C 1.0192(5) 0.6503(5) 0.4513(3) 0.0297(10) Uani 1 1 d . . . . .
H24 H 1.100828 0.635784 0.480040 0.036 Uiso 1 1 calc R U . . .
C25 C 0.9712(6) 0.7735(5) 0.4564(3) 0.0330(11) Uani 1 1 d . . . . .
H25 H 1.020835 0.843150 0.487840 0.040 Uiso 1 1 calc R U . . .
C26 C 0.8500(7) 0.7935(5) 0.4152(3) 0.0366(11) Uani 1 1 d . . . . .
H26 H 0.814909 0.876538 0.419540 0.044 Uiso 1 1 calc R U . . .
C27 C 0.7794(6) 0.6915(5) 0.3672(3) 0.0288(9) Uani 1 1 d . . . . .
H27 H 0.696596 0.705821 0.339258 0.035 Uiso 1 1 calc R U . . .
C28 C 0.8088(5) 0.4366(4) 0.0824(2) 0.0217(8) Uani 1 1 d . . . . .
H28 H 0.891626 0.479083 0.059070 0.026 Uiso 1 1 calc R U . . .
C29 C 0.8597(5) 0.3105(4) 0.1033(2) 0.0223(8) Uani 1 1 d . . . . .
H29A H 0.944435 0.330994 0.137607 0.027 Uiso 1 1 calc R U . . .
H29B H 0.781836 0.266441 0.128272 0.027 Uiso 1 1 calc R U . . .
C30 C 0.9006(5) 0.2188(5) 0.0373(2) 0.0268(9) Uani 1 1 d . . . . .
H30A H 0.990013 0.255791 0.017721 0.032 Uiso 1 1 calc R U . . .
H30B H 0.920467 0.135192 0.052738 0.032 Uiso 1 1 calc R U . . .
C31 C 0.7809(5) 0.1961(5) -0.0223(3) 0.0277(9) Uani 1 1 d . . . . .
H31A H 0.815508 0.144658 -0.065829 0.033 Uiso 1 1 calc R U . . .
H31B H 0.696437 0.146319 -0.005556 0.033 Uiso 1 1 calc R U . . .
C32 C 0.7356(5) 0.3230(5) -0.0421(2) 0.0275(9) Uani 1 1 d . . . . .
H32A H 0.656107 0.305633 -0.079638 0.033 Uiso 1 1 calc R U . . .
H32B H 0.817990 0.369663 -0.062554 0.033 Uiso 1 1 calc R U . . .
C33 C 0.6854(5) 0.4075(5) 0.0245(2) 0.0247(9) Uani 1 1 d . . . . .
H33A H 0.655494 0.489264 0.010349 0.030 Uiso 1 1 calc R U . . .
H33B H 0.601309 0.362235 0.044352 0.030 Uiso 1 1 calc R U . . .
C34 C 0.6832(5) 0.6778(4) 0.1318(2) 0.0223(8) Uani 1 1 d . . . . .
H34 H 0.592070 0.638882 0.104787 0.027 Uiso 1 1 calc R U . . .
C35 C 0.7786(5) 0.7457(5) 0.0796(2) 0.0254(9) Uani 1 1 d . . . . .
H35A H 0.872652 0.778275 0.104563 0.031 Uiso 1 1 calc R U . . .
H35B H 0.797154 0.682706 0.037191 0.031 Uiso 1 1 calc R U . . .
C36 C 0.7063(6) 0.8580(5) 0.0540(3) 0.0301(10) Uani 1 1 d . . . . .
H36A H 0.616502 0.824417 0.025321 0.036 Uiso 1 1 calc R U . . .
H36B H 0.771544 0.901464 0.022061 0.036 Uiso 1 1 calc R U . . .
C37 C 0.6701(6) 0.9567(5) 0.1185(3) 0.0300(10) Uani 1 1 d . . . . .
H37A H 0.760481 0.996397 0.144616 0.036 Uiso 1 1 calc R U . . .
H37B H 0.619346 1.026021 0.100348 0.036 Uiso 1 1 calc R U . . .
C38 C 0.5745(5) 0.8904(4) 0.1703(3) 0.0251(9) Uani 1 1 d . . . . .
H38A H 0.479671 0.860012 0.145706 0.030 Uiso 1 1 calc R U . . .
H38B H 0.558006 0.953549 0.213089 0.030 Uiso 1 1 calc R U . . .
C39 C 0.6440(5) 0.7756(4) 0.1955(2) 0.0243(9) Uani 1 1 d . . . . .
H39A H 0.576287 0.731693 0.226052 0.029 Uiso 1 1 calc R U . . .
H39B H 0.732448 0.807780 0.225569 0.029 Uiso 1 1 calc R U . . .
O1A O 0.2911(7) -0.0153(6) 0.4677(3) 0.0324(16) Uani 0.602(10) 1 d D U P A 1
C1A C 0.3844(12) -0.1115(14) 0.4419(7) 0.034(2) Uani 0.602(10) 1 d D U P A 1
H1AA H 0.327807 -0.195109 0.425952 0.041 Uiso 0.602(10) 1 calc R U P A 1
H1AB H 0.455362 -0.123166 0.480661 0.041 Uiso 0.602(10) 1 calc R U P A 1
C2A C 0.4609(10) -0.0634(11) 0.3785(5) 0.0339(18) Uani 0.602(10) 1 d D U P A 1
H2AA H 0.476606 -0.135642 0.340461 0.041 Uiso 0.602(10) 1 calc R U P A 1
H2AB H 0.554946 -0.015216 0.394507 0.041 Uiso 0.602(10) 1 calc R U P A 1
C3A C 0.3522(19) 0.027(3) 0.3508(13) 0.031(2) Uani 0.602(10) 1 d D U P A 1
H3AA H 0.398239 0.116225 0.352158 0.037 Uiso 0.602(10) 1 calc R U P A 1
H3AB H 0.315840 -0.005198 0.300650 0.037 Uiso 0.602(10) 1 calc R U P A 1
C4A C 0.2309(12) 0.0242(14) 0.4034(6) 0.034(2) Uani 0.602(10) 1 d D U P A 1
H4AA H 0.195238 0.110606 0.414398 0.041 Uiso 0.602(10) 1 calc R U P A 1
H4AB H 0.149534 -0.037800 0.382542 0.041 Uiso 0.602(10) 1 calc R U P A 1
O1B O 0.4960(10) 0.0100(11) 0.3666(6) 0.037(2) Uani 0.398(10) 1 d D U P A 2
C1B C 0.4799(15) -0.1097(14) 0.3948(9) 0.035(3) Uani 0.398(10) 1 d D U P A 2
H1BA H 0.564666 -0.118920 0.426536 0.042 Uiso 0.398(10) 1 calc R U P A 2
H1BB H 0.470805 -0.182656 0.354820 0.042 Uiso 0.398(10) 1 calc R U P A 2
C2B C 0.3441(19) -0.108(2) 0.4376(11) 0.033(3) Uani 0.398(10) 1 d D U P A 2
H2BA H 0.368247 -0.090209 0.490316 0.040 Uiso 0.398(10) 1 calc R U P A 2
H2BB H 0.285009 -0.191907 0.427095 0.040 Uiso 0.398(10) 1 calc R U P A 2
C3B C 0.2626(19) 0.002(2) 0.4116(11) 0.036(3) Uani 0.398(10) 1 d D U P A 2
H3BA H 0.161959 -0.028120 0.394989 0.044 Uiso 0.398(10) 1 calc R U P A 2
H3BB H 0.261910 0.076600 0.450424 0.044 Uiso 0.398(10) 1 calc R U P A 2
C4B C 0.352(3) 0.037(5) 0.349(2) 0.031(3) Uani 0.398(10) 1 d D U P A 2
H4BA H 0.315253 -0.014773 0.303006 0.037 Uiso 0.398(10) 1 calc R U P A 2
H4BB H 0.348963 0.129870 0.344313 0.037 Uiso 0.398(10) 1 calc R U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 '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
P2 Au1 Cl1 176.52(4) . . ?
C1 P1 C8 108.4(2) . . ?
C1 P1 C22 114.9(2) . . ?
C8 P1 C22 102.5(2) . . ?
C1 P1 C14 116.0(2) . . ?
C8 P1 C14 108.0(2) . . ?
C22 P1 C14 106.1(2) . . ?
C2 C1 P1 116.5(3) . . ?
C2 C1 P2 119.4(3) . . ?
P1 C1 P2 121.7(2) . . ?
C1 P2 C34 109.6(2) . . ?
C1 P2 C28 110.3(2) . . ?
C34 P2 C28 103.9(2) . . ?
C1 P2 Au1 115.31(14) . . ?
C34 P2 Au1 109.41(15) . . ?
C28 P2 Au1 107.67(14) . . ?
C7 C2 C3 117.3(4) . . ?
C7 C2 C1 121.9(4) . . ?
C3 C2 C1 120.8(4) . . ?
C4 C3 C2 121.1(4) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C5 C4 C3 120.9(4) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C10 C9 C8 120.8(5) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C7 C6 C5 119.6(5) . . ?
C7 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C4 C5 C6 119.1(4) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C13 C8 C9 118.6(4) . . ?
C13 C8 P1 123.2(4) . . ?
C9 C8 P1 117.8(3) . . ?
C2 C7 C6 122.1(4) . . ?
C2 C7 H7 119.0 . . ?
C6 C7 H7 119.0 . . ?
C9 C10 C11 119.8(5) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 120.5(4) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C15 C14 C21 119.8(4) . . ?
C15 C14 P1 121.2(3) . . ?
C21 C14 P1 118.4(4) . . ?
C12 C13 C8 120.2(5) . . ?
C12 C13 H13 119.9 . . ?
C8 C13 H13 119.9 . . ?
C11 C12 C13 120.0(5) . . ?
C11 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C14 C15 C18 119.6(5) . . ?
C14 C15 H15 120.2 . . ?
C18 C15 H15 120.2 . . ?
C19 C18 C15 120.1(5) . . ?
C19 C18 H18 120.0 . . ?
C15 C18 H18 120.0 . . ?
C18 C19 C20 120.8(5) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C19 C20 C21 119.6(5) . . ?
C19 C20 H20 120.2 . . ?
C21 C20 H20 120.2 . . ?
C20 C21 C14 120.0(5) . . ?
C20 C21 H21 120.0 . . ?
C14 C21 H21 120.0 . . ?
C27 C22 C23 118.9(4) . . ?
C27 C22 P1 118.4(3) . . ?
C23 C22 P1 121.9(4) . . ?
C24 C23 C22 120.5(4) . . ?
C24 C23 H23 119.8 . . ?
C22 C23 H23 119.8 . . ?
C23 C24 C25 120.4(5) . . ?
C23 C24 H24 119.8 . . ?
C25 C24 H24 119.8 . . ?
C26 C25 C24 119.5(5) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 120.2(5) . . ?
C25 C26 H26 119.9 . . ?
C27 C26 H26 119.9 . . ?
C22 C27 C26 120.5(5) . . ?
C22 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C33 C28 C29 110.3(4) . . ?
C33 C28 P2 117.2(3) . . ?
C29 C28 P2 109.7(3) . . ?
C33 C28 H28 106.3 . . ?
C29 C28 H28 106.3 . . ?
P2 C28 H28 106.3 . . ?
C30 C29 C28 112.5(4) . . ?
C30 C29 H29A 109.1 . . ?
C28 C29 H29A 109.1 . . ?
C30 C29 H29B 109.1 . . ?
C28 C29 H29B 109.1 . . ?
H29A C29 H29B 107.8 . . ?
C31 C30 C29 112.0(4) . . ?
C31 C30 H30A 109.2 . . ?
C29 C30 H30A 109.2 . . ?
C31 C30 H30B 109.2 . . ?
C29 C30 H30B 109.2 . . ?
H30A C30 H30B 107.9 . . ?
C32 C31 C30 111.1(4) . . ?
C32 C31 H31A 109.4 . . ?
C30 C31 H31A 109.4 . . ?
C32 C31 H31B 109.4 . . ?
C30 C31 H31B 109.4 . . ?
H31A C31 H31B 108.0 . . ?
C31 C32 C33 111.0(4) . . ?
C31 C32 H32A 109.4 . . ?
C33 C32 H32A 109.4 . . ?
C31 C32 H32B 109.4 . . ?
C33 C32 H32B 109.4 . . ?
H32A C32 H32B 108.0 . . ?
C28 C33 C32 109.7(4) . . ?
C28 C33 H33A 109.7 . . ?
C32 C33 H33A 109.7 . . ?
C28 C33 H33B 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C39 C34 C35 110.3(4) . . ?
C39 C34 P2 110.0(3) . . ?
C35 C34 P2 110.8(3) . . ?
C39 C34 H34 108.5 . . ?
C35 C34 H34 108.5 . . ?
P2 C34 H34 108.5 . . ?
C36 C35 C34 111.3(4) . . ?
C36 C35 H35A 109.4 . . ?
C34 C35 H35A 109.4 . . ?
C36 C35 H35B 109.4 . . ?
C34 C35 H35B 109.4 . . ?
H35A C35 H35B 108.0 . . ?
C35 C36 C37 111.4(4) . . ?
C35 C36 H36A 109.4 . . ?
C37 C36 H36A 109.4 . . ?
C35 C36 H36B 109.4 . . ?
C37 C36 H36B 109.4 . . ?
H36A C36 H36B 108.0 . . ?
C38 C37 C36 110.3(4) . . ?
C38 C37 H37A 109.6 . . ?
C36 C37 H37A 109.6 . . ?
C38 C37 H37B 109.6 . . ?
C36 C37 H37B 109.6 . . ?
H37A C37 H37B 108.1 . . ?
C37 C38 C39 111.5(4) . . ?
C37 C38 H38A 109.3 . . ?
C39 C38 H38A 109.3 . . ?
C37 C38 H38B 109.3 . . ?
C39 C38 H38B 109.3 . . ?
H38A C38 H38B 108.0 . . ?
C38 C39 C34 112.5(4) . . ?
C38 C39 H39A 109.1 . . ?
C34 C39 H39A 109.1 . . ?
C38 C39 H39B 109.1 . . ?
C34 C39 H39B 109.1 . . ?
H39A C39 H39B 107.8 . . ?
C1A O1A C4A 104.7(9) . . ?
O1A C1A C2A 106.4(9) . . ?
O1A C1A H1AA 110.5 . . ?
C2A C1A H1AA 110.4 . . ?
O1A C1A H1AB 110.4 . . ?
C2A C1A H1AB 110.4 . . ?
H1AA C1A H1AB 108.6 . . ?
C1A C2A C3A 102.6(8) . . ?
C1A C2A H2AA 111.3 . . ?
C3A C2A H2AA 111.3 . . ?
C1A C2A H2AB 111.3 . . ?
C3A C2A H2AB 111.3 . . ?
H2AA C2A H2AB 109.2 . . ?
C4A C3A C2A 103.9(9) . . ?
C4A C3A H3AA 111.0 . . ?
C2A C3A H3AA 111.0 . . ?
C4A C3A H3AB 111.0 . . ?
C2A C3A H3AB 111.0 . . ?
H3AA C3A H3AB 109.0 . . ?
O1A C4A C3A 106.2(10) . . ?
O1A C4A H4AA 110.5 . . ?
C3A C4A H4AA 110.5 . . ?
O1A C4A H4AB 110.5 . . ?
C3A C4A H4AB 110.5 . . ?
H4AA C4A H4AB 108.7 . . ?
C1B O1B C4B 104.9(17) . . ?
O1B C1B C2B 106.6(12) . . ?
O1B C1B H1BA 110.4 . . ?
C2B C1B H1BA 110.4 . . ?
O1B C1B H1BB 110.4 . . ?
C2B C1B H1BB 110.4 . . ?
H1BA C1B H1BB 108.6 . . ?
C1B C2B C3B 104.4(11) . . ?
C1B C2B H2BA 110.9 . . ?
C3B C2B H2BA 110.9 . . ?
C1B C2B H2BB 110.9 . . ?
C3B C2B H2BB 110.9 . . ?
H2BA C2B H2BB 108.9 . . ?
C4B C3B C2B 102.0(13) . . ?
C4B C3B H3BA 111.4 . . ?
C2B C3B H3BA 111.4 . . ?
C4B C3B H3BB 111.4 . . ?
C2B C3B H3BB 111.4 . . ?
H3BA C3B H3BB 109.2 . . ?
O1B C4B C3B 105.8(14) . . ?
O1B C4B H4BA 110.6 . . ?
C3B C4B H4BA 110.6 . . ?
O1B C4B H4BB 110.6 . . ?
C3B C4B H4BB 110.6 . . ?
H4BA C4B H4BB 108.7 . . ?
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 P2 2.2448(11) . ?
Au1 Cl1 2.2931(12) . ?
P1 C1 1.723(4) . ?
P1 C8 1.813(4) . ?
P1 C22 1.823(5) . ?
P1 C14 1.840(4) . ?
C1 C2 1.502(6) . ?
C1 P2 1.756(4) . ?
P2 C34 1.849(4) . ?
P2 C28 1.866(4) . ?
C2 C7 1.393(7) . ?
C2 C3 1.410(6) . ?
C3 C4 1.392(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(7) . ?
C4 H4 0.9500 . ?
C9 C10 1.384(7) . ?
C9 C8 1.403(6) . ?
C9 H9 0.9500 . ?
C6 C7 1.396(7) . ?
C6 C5 1.403(7) . ?
C6 H6 0.9500 . ?
C5 H5 0.9500 . ?
C8 C13 1.399(6) . ?
C7 H7 0.9500 . ?
C10 C11 1.385(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(8) . ?
C11 H11 0.9500 . ?
C14 C15 1.384(7) . ?
C14 C21 1.398(7) . ?
C13 C12 1.396(7) . ?
C13 H13 0.9500 . ?
C12 H12 0.9500 . ?
C15 C18 1.399(7) . ?
C15 H15 0.9500 . ?
C18 C19 1.370(9) . ?
C18 H18 0.9500 . ?
C19 C20 1.381(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.389(7) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C22 C27 1.392(7) . ?
C22 C23 1.405(6) . ?
C23 C24 1.388(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.396(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.391(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.403(7) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C33 1.533(6) . ?
C28 C29 1.536(6) . ?
C28 H28 1.0000 . ?
C29 C30 1.534(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.530(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.518(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.535(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C39 1.535(6) . ?
C34 C35 1.543(6) . ?
C34 H34 1.0000 . ?
C35 C36 1.528(7) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 C37 1.543(6) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C37 C38 1.531(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.534(6) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
O1A C1A 1.430(12) . ?
O1A C4A 1.432(11) . ?
C1A C2A 1.521(12) . ?
C1A H1AA 0.9900 . ?
C1A H1AB 0.9900 . ?
C2A C3A 1.568(18) . ?
C2A H2AA 0.9900 . ?
C2A H2AB 0.9900 . ?
C3A C4A 1.519(11) . ?
C3A H3AA 0.9900 . ?
C3A H3AB 0.9900 . ?
C4A H4AA 0.9900 . ?
C4A H4AB 0.9900 . ?
O1B C1B 1.425(13) . ?
O1B C4B 1.429(17) . ?
C1B C2B 1.516(14) . ?
C1B H1BA 0.9900 . ?
C1B H1BB 0.9900 . ?
C2B C3B 1.56(2) . ?
C2B H2BA 0.9900 . ?
C2B H2BB 0.9900 . ?
C3B C4B 1.520(14) . ?
C3B H3BA 0.9900 . ?
C3B H3BB 0.9900 . ?
C4B H4BA 0.9900 . ?
C4B H4BB 0.9900 . ?
