#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:36:34 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179022 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/20/4122053.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_4122053
loop_
_publ_author_name
'Wang, Zhixun'
'Wang, Yanzhao'
'Zhang, Liming'
_publ_section_title
;
 Soft propargylic deprotonation: designed ligand enables au-catalyzed
 isomerization of alkynes to 1,3-dienes.
;
_journal_issue                   25
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8887
_journal_page_last               8890
_journal_paper_doi               10.1021/ja503909c
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C150 H138 Au2 B2 Cl4 F54 N2 O2 P2'
_chemical_formula_weight         3645.92
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 126.8070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   43.3194(12)
_cell_length_b                   16.5468(4)
_cell_length_c                   26.1510(7)
_cell_measurement_temperature    100(2)
_cell_volume                     15008.3(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa apex'
_diffrn_measurement_method       'omega scan'
_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  0.0360
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       57
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            58187
_diffrn_reflns_theta_full        28.41
_diffrn_reflns_theta_max         28.41
_diffrn_reflns_theta_min         1.17
_exptl_absorpt_coefficient_mu    2.165
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7280
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.961
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     985
_refine_ls_number_reflns         18802
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0508P)²+22.6595P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0928
_reflns_number_gt                15209
_reflns_number_total             18802
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja503909c_si_003.cif
_cod_data_source_block           08292013_2_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122053--4122054.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4122053
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Au1 Au 0.426657(3) 0.578750(7) -0.064922(5) 0.01173(4) Uani 1 1 d .
B1 B 0.14097(10) 0.5738(2) 0.42730(17) 0.0156(7) Uani 1 1 d .
C1 C 0.34915(8) 0.65673(18) -0.08526(14) 0.0137(6) Uani 1 1 d .
C2 C 0.31810(9) 0.6673(2) -0.07426(16) 0.0204(7) Uani 1 1 d .
H2A H 0.2994 0.6223 -0.0949 0.024 Uiso 1 1 calc R
H2B H 0.3304 0.6655 -0.0279 0.024 Uiso 1 1 calc R
C3 C 0.37783(9) 0.72815(19) -0.05243(15) 0.0185(6) Uani 1 1 d .
H3A H 0.3908 0.7264 -0.0058 0.022 Uiso 1 1 calc R
H3B H 0.3978 0.7234 -0.0596 0.022 Uiso 1 1 calc R
C4 C 0.29693(9) 0.7481(2) -0.10201(16) 0.0236(7) Uani 1 1 d .
H4 H 0.2768 0.7535 -0.0948 0.028 Uiso 1 1 calc R
C5 C 0.32589(10) 0.8180(2) -0.06851(16) 0.0260(8) Uani 1 1 d .
H5A H 0.3124 0.8703 -0.0859 0.031 Uiso 1 1 calc R
H5B H 0.3382 0.8169 -0.0221 0.031 Uiso 1 1 calc R
C6 C 0.35636(10) 0.8090(2) -0.07960(16) 0.0234(7) Uani 1 1 d .
H6 H 0.3753 0.8544 -0.0579 0.028 Uiso 1 1 calc R
C7 C 0.32875(9) 0.66040(19) -0.15800(14) 0.0181(6) Uani 1 1 d .
H7A H 0.3479 0.6530 -0.1666 0.022 Uiso 1 1 calc R
H7B H 0.3096 0.6163 -0.1795 0.022 Uiso 1 1 calc R
C8 C 0.27769(9) 0.7513(2) -0.17346(16) 0.0255(7) Uani 1 1 d .
H8A H 0.2640 0.8034 -0.1912 0.031 Uiso 1 1 calc R
H8B H 0.2586 0.7071 -0.1955 0.031 Uiso 1 1 calc R
C9 C 0.30843(10) 0.7425(2) -0.18461(15) 0.0230(7) Uani 1 1 d .
H9 H 0.2958 0.7448 -0.2315 0.028 Uiso 1 1 calc R
C10 C 0.33757(11) 0.8118(2) -0.15110(17) 0.0267(8) Uani 1 1 d .
H10A H 0.3576 0.8064 -0.1581 0.032 Uiso 1 1 calc R
H10B H 0.3243 0.8642 -0.1691 0.032 Uiso 1 1 calc R
C11 C 0.35878(8) 0.46200(18) -0.08181(14) 0.0146(6) Uani 1 1 d .
C12 C 0.34509(9) 0.4550(2) -0.15152(14) 0.0185(6) Uani 1 1 d .
H12A H 0.3233 0.4925 -0.1791 0.022 Uiso 1 1 calc R
H12B H 0.3664 0.4703 -0.1537 0.022 Uiso 1 1 calc R
C13 C 0.39226(9) 0.40130(19) -0.03960(15) 0.0190(6) Uani 1 1 d .
H13A H 0.4144 0.4156 -0.0399 0.023 Uiso 1 1 calc R
H13B H 0.4009 0.4045 0.0050 0.023 Uiso 1 1 calc R
C14 C 0.37891(10) 0.3148(2) -0.06493(16) 0.0234(7) Uani 1 1 d .
H14 H 0.4007 0.2763 -0.0374 0.028 Uiso 1 1 calc R
C15 C 0.32523(10) 0.4381(2) -0.07968(17) 0.0211(7) Uani 1 1 d .
H15A H 0.3336 0.4417 -0.0352 0.025 Uiso 1 1 calc R
H15B H 0.3034 0.4759 -0.1063 0.025 Uiso 1 1 calc R
C16 C 0.33227(10) 0.3678(2) -0.17561(15) 0.0212(7) Uani 1 1 d .
H16 H 0.3236 0.3640 -0.2206 0.025 Uiso 1 1 calc R
C17 C 0.36590(10) 0.3095(2) -0.13355(17) 0.0243(7) Uani 1 1 d .
H17A H 0.3577 0.2536 -0.1496 0.029 Uiso 1 1 calc R
H17B H 0.3876 0.3237 -0.1349 0.029 Uiso 1 1 calc R
C18 C 0.29875(10) 0.3454(2) -0.17365(16) 0.0243(7) Uani 1 1 d .
H18A H 0.2900 0.2897 -0.1898 0.029 Uiso 1 1 calc R
H18B H 0.2768 0.3826 -0.2012 0.029 Uiso 1 1 calc R
C19 C 0.31213(10) 0.3511(2) -0.10464(17) 0.0252(7) Uani 1 1 d .
H19 H 0.2903 0.3363 -0.1032 0.030 Uiso 1 1 calc R
C20 C 0.34527(11) 0.2926(2) -0.06333(17) 0.0270(8) Uani 1 1 d .
H20A H 0.3366 0.2368 -0.0793 0.032 Uiso 1 1 calc R
H20B H 0.3537 0.2949 -0.0188 0.032 Uiso 1 1 calc R
C21 C 0.39833(8) 0.56470(17) 0.03403(14) 0.0123(6) Uani 1 1 d .
C22 C 0.37092(9) 0.55910(18) 0.04656(14) 0.0140(6) Uani 1 1 d .
H22 H 0.3446 0.5501 0.0120 0.017 Uiso 1 1 calc R
C23 C 0.38113(9) 0.56629(17) 0.10743(15) 0.0148(6) Uani 1 1 d .
H23 H 0.3622 0.5624 0.1147 0.018 Uiso 1 1 calc R
C24 C 0.41945(9) 0.57930(19) 0.15783(14) 0.0153(6) Uani 1 1 d .
C25 C 0.44712(8) 0.58319(18) 0.14725(14) 0.0142(6) Uani 1 1 d .
H25 H 0.4733 0.5917 0.1824 0.017 Uiso 1 1 calc R
C26 C 0.43733(8) 0.57487(17) 0.08609(14) 0.0121(5) Uani 1 1 d .
C27 C 0.43183(10) 0.5839(2) 0.22506(15) 0.0217(7) Uani 1 1 d .
C28 C 0.47070(8) 0.57175(18) 0.08306(13) 0.0120(5) Uani 1 1 d .
C29 C 0.49097(9) 0.64201(18) 0.09064(14) 0.0145(6) Uani 1 1 d .
C30 C 0.52655(9) 0.63601(19) 0.10130(14) 0.0159(6) Uani 1 1 d .
H30 H 0.5408 0.6834 0.1073 0.019 Uiso 1 1 calc R
C31 C 0.54115(9) 0.56023(19) 0.10303(14) 0.0155(6) Uani 1 1 d .
H31 H 0.5656 0.5564 0.1109 0.019 Uiso 1 1 calc R
C32 C 0.52076(8) 0.49038(18) 0.09346(13) 0.0119(5) Uani 1 1 d .
C33 C 0.48581(8) 0.49677(18) 0.08442(13) 0.0123(6) Uani 1 1 d .
H33 H 0.4719 0.4491 0.0791 0.015 Uiso 1 1 calc R
C34 C 0.49507(11) 0.7855(2) 0.1030(2) 0.0296(8) Uani 1 1 d .
H34A H 0.5194 0.7813 0.1461 0.044 Uiso 1 1 calc R
H34B H 0.4799 0.8308 0.1014 0.044 Uiso 1 1 calc R
H34C H 0.5006 0.7946 0.0722 0.044 Uiso 1 1 calc R
C35 C 0.50815(9) 0.34615(18) 0.06367(15) 0.0162(6) Uani 1 1 d .
H35A H 0.4896 0.3614 0.0181 0.019 Uiso 1 1 calc R
H35B H 0.4937 0.3421 0.0819 0.019 Uiso 1 1 calc R
C36 C 0.52551(9) 0.26402(19) 0.06819(16) 0.0198(6) Uani 1 1 d .
H36 H 0.5386 0.2674 0.0473 0.024 Uiso 1 1 calc R
C37 C 0.55534(10) 0.2406(2) 0.13857(17) 0.0238(7) Uani 1 1 d .
H37A H 0.5419 0.2293 0.1578 0.029 Uiso 1 1 calc R
H37B H 0.5687 0.1905 0.1410 0.029 Uiso 1 1 calc R
C38 C 0.58511(9) 0.30671(19) 0.17679(15) 0.0188(6) Uani 1 1 d .
H38 H 0.6004 0.3130 0.1598 0.023 Uiso 1 1 calc R
C39 C 0.56530(9) 0.38684(19) 0.16818(14) 0.0165(6) Uani 1 1 d .
H39A H 0.5851 0.4294 0.1924 0.020 Uiso 1 1 calc R
H39B H 0.5506 0.3824 0.1858 0.020 Uiso 1 1 calc R
C40 C 0.49311(11) 0.2016(2) 0.03284(19) 0.0287(8) Uani 1 1 d .
H40A H 0.4807 0.1964 0.0541 0.043 Uiso 1 1 calc R
H40B H 0.5038 0.1493 0.0332 0.043 Uiso 1 1 calc R
H40C H 0.4740 0.2192 -0.0114 0.043 Uiso 1 1 calc R
C41 C 0.61303(12) 0.2848(2) 0.24762(17) 0.0320(9) Uani 1 1 d .
H41A H 0.6317 0.3287 0.2707 0.048 Uiso 1 1 calc R
H41B H 0.6267 0.2349 0.2524 0.048 Uiso 1 1 calc R
H41C H 0.5986 0.2769 0.2651 0.048 Uiso 1 1 calc R
C42 C 0.14757(9) 0.55967(19) 0.49503(15) 0.0179(6) Uani 1 1 d .
C43 C 0.11745(10) 0.5402(2) 0.49855(16) 0.0222(7) Uani 1 1 d .
H43 H 0.0923 0.5320 0.4601 0.027 Uiso 1 1 calc R
C44 C 0.12319(11) 0.5325(2) 0.55675(17) 0.0270(8) Uani 1 1 d .
C45 C 0.15935(12) 0.5438(2) 0.61378(17) 0.0293(8) Uani 1 1 d .
H45 H 0.1633 0.5381 0.6535 0.035 Uiso 1 1 calc R
C46 C 0.18951(12) 0.5635(2) 0.61151(16) 0.0271(8) Uani 1 1 d .
C47 C 0.18367(10) 0.57272(19) 0.55350(16) 0.0216(7) Uani 1 1 d .
H47 H 0.2047 0.5884 0.5534 0.026 Uiso 1 1 calc R
C48 C 0.08972(13) 0.5136(3) 0.5572(2) 0.0418(11) Uani 1 1 d .
C49 C 0.22922(14) 0.5748(3) 0.67238(19) 0.0455(12) Uani 1 1 d .
C50 C 0.13609(9) 0.67123(19) 0.41484(14) 0.0161(6) Uani 1 1 d .
C51 C 0.10048(9) 0.70914(18) 0.38776(14) 0.0154(6) Uani 1 1 d .
H51 H 0.0790 0.6771 0.3761 0.018 Uiso 1 1 calc R
C52 C 0.09569(9) 0.79122(19) 0.37747(14) 0.0168(6) Uani 1 1 d .
C53 C 0.12648(9) 0.84102(19) 0.39562(15) 0.0191(6) Uani 1 1 d .
H53 H 0.1232 0.8977 0.3884 0.023 Uiso 1 1 calc R
C54 C 0.16231(9) 0.8051(2) 0.42465(16) 0.0197(7) Uani 1 1 d .
C55 C 0.16691(9) 0.72228(19) 0.43342(15) 0.0180(6) Uani 1 1 d .
H55 H 0.1917 0.6995 0.4526 0.022 Uiso 1 1 calc R
C56 C 0.05625(10) 0.8274(2) 0.34250(16) 0.0222(7) Uani 1 1 d .
C57 C 0.19652(11) 0.8570(2) 0.44580(19) 0.0286(8) Uani 1 1 d .
C58 C 0.10386(8) 0.52276(18) 0.36868(14) 0.0143(6) Uani 1 1 d .
C59 C 0.07770(9) 0.54998(19) 0.30613(15) 0.0166(6) Uani 1 1 d .
H59 H 0.0795 0.6043 0.2964 0.020 Uiso 1 1 calc R
C60 C 0.04894(9) 0.50015(19) 0.25718(14) 0.0172(6) Uani 1 1 d .
C61 C 0.04552(9) 0.42054(18) 0.26904(15) 0.0161(6) Uani 1 1 d .
H61 H 0.0260 0.3867 0.2360 0.019 Uiso 1 1 calc R
C62 C 0.07174(9) 0.39143(19) 0.33118(15) 0.0158(6) Uani 1 1 d .
C63 C 0.09993(9) 0.44138(19) 0.37918(15) 0.0157(6) Uani 1 1 d .
H63 H 0.1173 0.4198 0.4210 0.019 Uiso 1 1 calc R
C64 C 0.02224(10) 0.5338(2) 0.19101(16) 0.0251(7) Uani 1 1 d .
C65 C 0.07105(9) 0.3041(2) 0.34477(16) 0.0227(7) Uani 1 1 d .
C66 C 0.17640(9) 0.53956(19) 0.42721(15) 0.0179(6) Uani 1 1 d .
C67 C 0.20329(9) 0.48144(19) 0.46963(16) 0.0193(6) Uani 1 1 d .
H67 H 0.2026 0.4632 0.5034 0.023 Uiso 1 1 calc R
C68 C 0.23084(10) 0.4495(2) 0.46421(18) 0.0238(7) Uani 1 1 d .
C69 C 0.23238(10) 0.4734(2) 0.41496(18) 0.0270(8) Uani 1 1 d .
H69 H 0.2512 0.4516 0.4110 0.032 Uiso 1 1 calc R
C70 C 0.20571(10) 0.5300(2) 0.37158(17) 0.0248(7) Uani 1 1 d .
C71 C 0.17874(9) 0.5622(2) 0.37796(16) 0.0211(7) Uani 1 1 d .
H71 H 0.1611 0.6013 0.3478 0.025 Uiso 1 1 calc R
C72 C 0.25840(11) 0.3890(2) 0.5126(2) 0.0356(10) Uani 1 1 d .
C73 C 0.20501(12) 0.5578(3) 0.3164(2) 0.0350(9) Uani 1 1 d .
C74 C 0.37157(16) 0.1205(4) 0.7300(3) 0.0661(18) Uani 1 1 d .
H74A H 0.3865 0.1011 0.7150 0.079 Uiso 1 1 calc R
H74B H 0.3585 0.0732 0.7324 0.079 Uiso 1 1 calc R
C75 C 0.34232(16) 0.1770(5) 0.6831(3) 0.076(2) Uani 1 1 d .
H75A H 0.3286 0.1528 0.6400 0.091 Uiso 1 1 calc R
H75B H 0.3551 0.2270 0.6837 0.091 Uiso 1 1 calc R
Cl1 Cl 0.40386(4) 0.16105(13) 0.80726(8) 0.0905(6) Uani 1 1 d .
Cl2 Cl 0.30845(4) 0.20214(14) 0.69739(9) 0.0982(7) Uani 1 1 d .
F1 F 0.40286(7) 0.6005(2) 0.22787(11) 0.0529(8) Uani 1 1 d .
F2 F 0.44797(9) 0.51508(15) 0.25632(11) 0.0496(7) Uani 1 1 d .
F3 F 0.45846(6) 0.64075(13) 0.25974(9) 0.0280(5) Uani 1 1 d .
F4 F 0.09973(8) 0.47592(19) 0.61026(14) 0.0575(8) Uani 1 1 d .
F5 F 0.06431(9) 0.4634(3) 0.50976(16) 0.0778(11) Uani 1 1 d .
F6 F 0.07015(10) 0.5783(2) 0.55151(19) 0.0830(13) Uani 1 1 d .
F7 F 0.22969(12) 0.5895(3) 0.72177(15) 0.1083(17) Uani 1 1 d .
F8 F 0.24979(11) 0.5100(3) 0.6883(2) 0.143(2) Uani 1 1 d .
F9 F 0.24799(10) 0.6341(3) 0.67065(14) 0.0899(14) Uani 1 1 d .
F10 F 0.05643(7) 0.90174(14) 0.36266(14) 0.0464(7) Uani 1 1 d .
F11 F 0.03208(7) 0.78492(15) 0.34627(14) 0.0488(7) Uani 1 1 d .
F12 F 0.04022(7) 0.83692(19) 0.28053(11) 0.0510(7) Uani 1 1 d .
F13 F 0.19186(9) 0.93223(16) 0.4525(2) 0.0935(15) Uani 1 1 d .
F14 F 0.22756(9) 0.8375(2) 0.50393(18) 0.0951(14) Uani 1 1 d .
F15 F 0.20875(14) 0.8483(3) 0.4135(2) 0.135(2) Uani 1 1 d .
F16 F 0.00690(8) 0.60447(15) 0.18967(11) 0.0465(7) Uani 1 1 d .
F17 F 0.04023(7) 0.54870(17) 0.16482(11) 0.0447(6) Uani 1 1 d .
F18 F -0.00722(7) 0.48486(14) 0.15115(10) 0.0443(7) Uani 1 1 d .
F19 F 0.08564(7) 0.29089(14) 0.40556(10) 0.0439(7) Uani 1 1 d .
F20 F 0.03565(5) 0.27295(12) 0.30950(9) 0.0257(4) Uani 1 1 d .
F21 F 0.09226(7) 0.25960(13) 0.33345(14) 0.0450(7) Uani 1 1 d .
F22 F 0.24106(8) 0.32643(15) 0.51692(16) 0.0589(8) Uani 1 1 d .
F23 F 0.28025(9) 0.41902(17) 0.57265(14) 0.0645(9) Uani 1 1 d .
F24 F 0.28345(9) 0.3616(2) 0.50379(16) 0.0680(10) Uani 1 1 d .
F25 F 0.23020(7) 0.51822(19) 0.31162(13) 0.0516(7) Uani 1 1 d .
F26 F 0.17036(7) 0.5484(2) 0.26038(11) 0.0512(7) Uani 1 1 d .
F27 F 0.21351(9) 0.63659(18) 0.32007(14) 0.0560(8) Uani 1 1 d .
N1 N 0.53811(7) 0.41119(14) 0.09822(12) 0.0124(5) Uani 1 1 d .
O1 O 0.47374(6) 0.71235(13) 0.08757(11) 0.0194(5) Uani 1 1 d .
P1 P 0.38078(2) 0.56448(4) -0.04939(3) 0.01154(15) Uani 1 1 d .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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'
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'
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
N1 Au1 P1 169.42(7) 5_665 .
C42 B1 C50 106.0(2) . .
C42 B1 C66 113.4(3) . .
C50 B1 C66 110.5(3) . .
C42 B1 C58 112.1(3) . .
C50 B1 C58 112.6(3) . .
C66 B1 C58 102.4(2) . .
C2 C1 C7 107.8(2) . .
C2 C1 C3 108.0(3) . .
C7 C1 C3 109.3(3) . .
C2 C1 P1 117.0(2) . .
C7 C1 P1 110.7(2) . .
C3 C1 P1 103.88(19) . .
C4 C2 C1 110.5(3) . .
C4 C2 H2A 109.5 . .
C1 C2 H2A 109.5 . .
C4 C2 H2B 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
C6 C3 C1 110.2(2) . .
C6 C3 H3A 109.6 . .
C1 C3 H3A 109.6 . .
C6 C3 H3B 109.6 . .
C1 C3 H3B 109.6 . .
H3A C3 H3B 108.1 . .
C8 C4 C2 110.1(3) . .
C8 C4 C5 109.4(3) . .
C2 C4 C5 109.5(3) . .
C8 C4 H4 109.3 . .
C2 C4 H4 109.3 . .
C5 C4 H4 109.3 . .
C6 C5 C4 108.9(3) . .
C6 C5 H5A 109.9 . .
C4 C5 H5A 109.9 . .
C6 C5 H5B 109.9 . .
C4 C5 H5B 109.9 . .
H5A C5 H5B 108.3 . .
C5 C6 C10 110.1(3) . .
C5 C6 C3 110.5(3) . .
C10 C6 C3 108.8(3) . .
C5 C6 H6 109.1 . .
C10 C6 H6 109.1 . .
C3 C6 H6 109.1 . .
C9 C7 C1 110.0(3) . .
C9 C7 H7A 109.7 . .
C1 C7 H7A 109.7 . .
C9 C7 H7B 109.7 . .
C1 C7 H7B 109.7 . .
H7A C7 H7B 108.2 . .
C4 C8 C9 109.3(3) . .
C4 C8 H8A 109.8 . .
C9 C8 H8A 109.8 . .
C4 C8 H8B 109.8 . .
C9 C8 H8B 109.8 . .
H8A C8 H8B 108.3 . .
C8 C9 C10 109.4(3) . .
C8 C9 C7 108.9(3) . .
C10 C9 C7 110.4(3) . .
C8 C9 H9 109.3 . .
C10 C9 H9 109.3 . .
C7 C9 H9 109.3 . .
C6 C10 C9 109.2(3) . .
C6 C10 H10A 109.8 . .
C9 C10 H10A 109.8 . .
C6 C10 H10B 109.8 . .
C9 C10 H10B 109.8 . .
H10A C10 H10B 108.3 . .
C15 C11 C12 108.7(2) . .
C15 C11 C13 108.0(3) . .
C12 C11 C13 108.9(3) . .
C15 C11 P1 116.7(2) . .
C12 C11 P1 109.4(2) . .
C13 C11 P1 104.92(19) . .
C16 C12 C11 110.0(3) . .
C16 C12 H12A 109.7 . .
C11 C12 H12A 109.7 . .
C16 C12 H12B 109.7 . .
C11 C12 H12B 109.7 . .
H12A C12 H12B 108.2 . .
C14 C13 C11 110.2(3) . .
C14 C13 H13A 109.6 . .
C11 C13 H13A 109.6 . .
C14 C13 H13B 109.6 . .
C11 C13 H13B 109.6 . .
H13A C13 H13B 108.1 . .
C17 C14 C20 109.4(3) . .
C17 C14 C13 109.8(3) . .
C20 C14 C13 109.3(3) . .
C17 C14 H14 109.5 . .
C20 C14 H14 109.5 . .
C13 C14 H14 109.5 . .
C19 C15 C11 109.9(3) . .
C19 C15 H15A 109.7 . .
C11 C15 H15A 109.7 . .
C19 C15 H15B 109.7 . .
C11 C15 H15B 109.7 . .
H15A C15 H15B 108.2 . .
C17 C16 C18 109.7(3) . .
C17 C16 C12 110.0(3) . .
C18 C16 C12 109.3(3) . .
C17 C16 H16 109.3 . .
C18 C16 H16 109.3 . .
C12 C16 H16 109.3 . .
C14 C17 C16 109.3(3) . .
C14 C17 H17A 109.8 . .
C16 C17 H17A 109.8 . .
C14 C17 H17B 109.8 . .
C16 C17 H17B 109.8 . .
H17A C17 H17B 108.3 . .
C16 C18 C19 109.1(3) . .
C16 C18 H18A 109.9 . .
C19 C18 H18A 109.9 . .
C16 C18 H18B 109.9 . .
C19 C18 H18B 109.9 . .
H18A C18 H18B 108.3 . .
C20 C19 C18 109.1(3) . .
C20 C19 C15 110.0(3) . .
C18 C19 C15 109.9(3) . .
C20 C19 H19 109.3 . .
C18 C19 H19 109.3 . .
C15 C19 H19 109.3 . .
C19 C20 C14 109.8(3) . .
C19 C20 H20A 109.7 . .
C14 C20 H20A 109.7 . .
C19 C20 H20B 109.7 . .
C14 C20 H20B 109.7 . .
H20A C20 H20B 108.2 . .
C26 C21 C22 118.2(3) . .
C26 C21 P1 123.7(2) . .
C22 C21 P1 118.0(2) . .
C23 C22 C21 122.0(3) . .
C23 C22 H22 119.0 . .
C21 C22 H22 119.0 . .
C22 C23 C24 119.0(3) . .
C22 C23 H23 120.5 . .
C24 C23 H23 120.5 . .
C23 C24 C25 120.3(3) . .
C23 C24 C27 120.4(3) . .
C25 C24 C27 119.2(3) . .
C24 C25 C26 121.3(3) . .
C24 C25 H25 119.3 . .
C26 C25 H25 119.3 . .
C25 C26 C21 119.0(3) . .
C25 C26 C28 115.1(2) . .
C21 C26 C28 125.7(3) . .
F1 C27 F2 108.0(3) . .
F1 C27 F3 106.1(3) . .
F2 C27 F3 105.3(3) . .
F1 C27 C24 112.9(3) . .
F2 C27 C24 111.3(3) . .
F3 C27 C24 112.8(3) . .
C33 C28 C29 119.4(3) . .
C33 C28 C26 118.9(3) . .
C29 C28 C26 120.6(3) . .
O1 C29 C30 125.1(3) . .
O1 C29 C28 115.4(3) . .
C30 C29 C28 119.6(3) . .
C31 C30 C29 119.7(3) . .
C31 C30 H30 120.1 . .
C29 C30 H30 120.1 . .
C32 C31 C30 121.2(3) . .
C32 C31 H31 119.4 . .
C30 C31 H31 119.4 . .
C31 C32 C33 118.7(3) . .
C31 C32 N1 119.2(3) . .
C33 C32 N1 121.9(3) . .
C32 C33 C28 121.3(3) . .
C32 C33 H33 119.3 . .
C28 C33 H33 119.3 . .
O1 C34 H34A 109.5 . .
O1 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
O1 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N1 C35 C36 112.6(2) . .
N1 C35 H35A 109.1 . .
C36 C35 H35A 109.1 . .
N1 C35 H35B 109.1 . .
C36 C35 H35B 109.1 . .
H35A C35 H35B 107.8 . .
C40 C36 C35 108.9(3) . .
C40 C36 C37 111.3(3) . .
C35 C36 C37 109.9(3) . .
C40 C36 H36 108.9 . .
C35 C36 H36 108.9 . .
C37 C36 H36 108.9 . .
C38 C37 C36 112.3(3) . .
C38 C37 H37A 109.1 . .
C36 C37 H37A 109.1 . .
C38 C37 H37B 109.1 . .
C36 C37 H37B 109.1 . .
H37A C37 H37B 107.9 . .
C39 C38 C37 110.4(3) . .
C39 C38 C41 110.6(3) . .
C37 C38 C41 111.7(3) . .
C39 C38 H38 108.0 . .
C37 C38 H38 108.0 . .
C41 C38 H38 108.0 . .
C38 C39 N1 111.8(2) . .
C38 C39 H39A 109.3 . .
N1 C39 H39A 109.3 . .
C38 C39 H39B 109.3 . .
N1 C39 H39B 109.3 . .
H39A C39 H39B 107.9 . .
C36 C40 H40A 109.5 . .
C36 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C36 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C38 C41 H41A 109.5 . .
C38 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C38 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C47 C42 C43 116.0(3) . .
C47 C42 B1 121.1(3) . .
C43 C42 B1 122.7(3) . .
C44 C43 C42 122.0(3) . .
C44 C43 H43 119.0 . .
C42 C43 H43 119.0 . .
C45 C44 C43 120.7(4) . .
C45 C44 C48 119.9(3) . .
C43 C44 C48 119.4(4) . .
C46 C45 C44 118.3(3) . .
C46 C45 H45 120.8 . .
C44 C45 H45 120.8 . .
C45 C46 C47 121.0(3) . .
C45 C46 C49 119.8(4) . .
C47 C46 C49 119.2(4) . .
C46 C47 C42 121.9(3) . .
C46 C47 H47 119.0 . .
C42 C47 H47 119.0 . .
F6 C48 F4 106.5(3) . .
F6 C48 F5 106.4(4) . .
F4 C48 F5 104.3(4) . .
F6 C48 C44 113.1(4) . .
F4 C48 C44 113.2(3) . .
F5 C48 C44 112.6(3) . .
F8 C49 F9 108.3(6) . .
F8 C49 F7 103.7(5) . .
F9 C49 F7 104.9(4) . .
F8 C49 C46 111.7(4) . .
F9 C49 C46 113.8(4) . .
F7 C49 C46 113.7(5) . .
C55 C50 C51 116.0(3) . .
C55 C50 B1 123.0(3) . .
C51 C50 B1 120.9(3) . .
C52 C51 C50 122.1(3) . .
C52 C51 H51 118.9 . .
C50 C51 H51 118.9 . .
C51 C52 C53 121.2(3) . .
C51 C52 C56 119.8(3) . .
C53 C52 C56 118.9(3) . .
C52 C53 C54 117.6(3) . .
C52 C53 H53 121.2 . .
C54 C53 H53 121.2 . .
C55 C54 C53 121.1(3) . .
C55 C54 C57 119.5(3) . .
C53 C54 C57 119.4(3) . .
C54 C55 C50 121.9(3) . .
C54 C55 H55 119.1 . .
C50 C55 H55 119.1 . .
F11 C56 F12 107.2(3) . .
F11 C56 F10 106.2(3) . .
F12 C56 F10 104.3(3) . .
F11 C56 C52 114.2(3) . .
F12 C56 C52 111.2(3) . .
F10 C56 C52 113.1(3) . .
F15 C57 F13 111.7(4) . .
F15 C57 F14 101.4(4) . .
F13 C57 F14 102.2(4) . .
F15 C57 C54 114.3(3) . .
F13 C57 C54 113.6(3) . .
F14 C57 C54 112.3(3) . .
C59 C58 C63 115.5(3) . .
C59 C58 B1 125.6(3) . .
C63 C58 B1 118.4(3) . .
C58 C59 C60 122.4(3) . .
C58 C59 H59 118.8 . .
C60 C59 H59 118.8 . .
C61 C60 C59 120.8(3) . .
C61 C60 C64 120.1(3) . .
C59 C60 C64 119.0(3) . .
C60 C61 C62 117.9(3) . .
C60 C61 H61 121.0 . .
C62 C61 H61 121.0 . .
C63 C62 C61 120.7(3) . .
C63 C62 C65 119.7(3) . .
C61 C62 C65 119.5(3) . .
C62 C63 C58 122.7(3) . .
C62 C63 H63 118.7 . .
C58 C63 H63 118.7 . .
F18 C64 F16 106.5(3) . .
F18 C64 F17 106.9(3) . .
F16 C64 F17 105.1(3) . .
F18 C64 C60 113.1(3) . .
F16 C64 C60 112.6(3) . .
F17 C64 C60 112.2(3) . .
F19 C65 F20 106.8(3) . .
F19 C65 F21 106.0(3) . .
F20 C65 F21 107.0(3) . .
F19 C65 C62 112.4(3) . .
F20 C65 C62 112.9(3) . .
F21 C65 C62 111.4(3) . .
C71 C66 C67 115.3(3) . .
C71 C66 B1 119.5(3) . .
C67 C66 B1 124.9(3) . .
C68 C67 C66 122.5(3) . .
C68 C67 H67 118.7 . .
C66 C67 H67 118.7 . .
C67 C68 C69 120.7(3) . .
C67 C68 C72 118.0(3) . .
C69 C68 C72 121.3(3) . .
C70 C69 C68 118.1(3) . .
C70 C69 H69 120.9 . .
C68 C69 H69 120.9 . .
C69 C70 C71 120.7(3) . .
C69 C70 C73 121.4(3) . .
C71 C70 C73 117.9(3) . .
C70 C71 C66 122.6(3) . .
C70 C71 H71 118.7 . .
C66 C71 H71 118.7 . .
F24 C72 F22 108.4(3) . .
F24 C72 F23 104.7(4) . .
F22 C72 F23 103.1(4) . .
F24 C72 C68 114.1(4) . .
F22 C72 C68 113.1(3) . .
F23 C72 C68 112.7(3) . .
F26 C73 F25 106.4(3) . .
F26 C73 F27 105.7(4) . .
F25 C73 F27 106.1(3) . .
F26 C73 C70 112.4(3) . .
F25 C73 C70 113.1(4) . .
F27 C73 C70 112.5(3) . .
C75 C74 Cl1 114.5(4) . .
C75 C74 H74A 108.6 . .
Cl1 C74 H74A 108.6 . .
C75 C74 H74B 108.6 . .
Cl1 C74 H74B 108.6 . .
H74A C74 H74B 107.6 . .
C74 C75 Cl2 112.7(5) . .
C74 C75 H75A 109.1 . .
Cl2 C75 H75A 109.1 . .
C74 C75 H75B 109.1 . .
Cl2 C75 H75B 109.1 . .
H75A C75 H75B 107.8 . .
C32 N1 C35 111.9(2) . .
C32 N1 C39 108.9(2) . .
C35 N1 C39 107.5(2) . .
C32 N1 Au1 110.03(17) . 5_665
C35 N1 Au1 112.07(18) . 5_665
C39 N1 Au1 106.20(18) . 5_665
C29 O1 C34 118.1(3) . .
C21 P1 C11 106.01(13) . .
C21 P1 C1 104.54(13) . .
C11 P1 C1 119.04(13) . .
C21 P1 Au1 115.51(10) . .
C11 P1 Au1 105.96(10) . .
C1 P1 Au1 106.29(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 2.170(2) 5_665
Au1 P1 2.2668(8) .
B1 C42 1.633(5) .
B1 C50 1.634(5) .
B1 C66 1.637(5) .
B1 C58 1.641(4) .
C1 C2 1.545(4) .
C1 C7 1.546(4) .
C1 C3 1.549(4) .
C1 P1 1.883(3) .
C2 C4 1.535(5) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C6 1.539(4) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C8 1.524(5) .
C4 C5 1.538(5) .
C4 H4 1.0000 .
C5 C6 1.519(5) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C10 1.529(5) .
C6 H6 1.0000 .
C7 C9 1.540(5) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.531(5) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.532(5) .
C9 H9 1.0000 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C15 1.539(4) .
C11 C12 1.547(4) .
C11 C13 1.553(4) .
C11 P1 1.880(3) .
C12 C16 1.539(5) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.537(4) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C17 1.528(5) .
C14 C20 1.527(5) .
C14 H14 1.0000 .
C15 C19 1.541(4) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.531(5) .
C16 C18 1.529(5) .
C16 H16 1.0000 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.533(5) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.519(5) .
C19 H19 1.0000 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C26 1.407(4) .
C21 C22 1.412(4) .
C21 P1 1.830(3) .
C22 C23 1.378(4) .
C22 H22 0.9500 .
C23 C24 1.385(4) .
C23 H23 0.9500 .
C24 C25 1.384(4) .
C24 C27 1.502(4) .
C25 C26 1.394(4) .
C25 H25 0.9500 .
C26 C28 1.495(4) .
C27 F1 1.329(4) .
C27 F2 1.330(4) .
C27 F3 1.336(4) .
C28 C33 1.393(4) .
C28 C29 1.398(4) .
C29 O1 1.359(4) .
C29 C30 1.396(4) .
C30 C31 1.393(4) .
C30 H30 0.9500 .
C31 C32 1.383(4) .
C31 H31 0.9500 .
C32 C33 1.389(4) .
C32 N1 1.478(4) .
C33 H33 0.9500 .
C34 O1 1.426(4) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 N1 1.501(4) .
C35 C36 1.523(4) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C40 1.528(5) .
C36 C37 1.536(5) .
C36 H36 1.0000 .
C37 C38 1.521(5) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C39 1.521(4) .
C38 C41 1.530(5) .
C38 H38 1.0000 .
C39 N1 1.521(4) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 C47 1.402(4) .
C42 C43 1.400(5) .
C43 C44 1.393(5) .
C43 H43 0.9500 .
C44 C45 1.383(5) .
C44 C48 1.490(6) .
C45 C46 1.382(6) .
C45 H45 0.9500 .
C46 C47 1.389(5) .
C46 C49 1.499(5) .
C47 H47 0.9500 .
C48 F6 1.317(5) .
C48 F4 1.334(5) .
C48 F5 1.345(6) .
C49 F8 1.294(6) .
C49 F9 1.292(6) .
C49 F7 1.302(6) .
C50 C55 1.398(4) .
C50 C51 1.402(4) .
C51 C52 1.376(4) .
C51 H51 0.9500 .
C52 C53 1.387(4) .
C52 C56 1.497(4) .
C53 C54 1.388(5) .
C53 H53 0.9500 .
C54 C55 1.385(4) .
C54 C57 1.502(5) .
C55 H55 0.9500 .
C56 F11 1.313(4) .
C56 F12 1.336(4) .
C56 F10 1.336(4) .
C57 F15 1.245(5) .
C57 F13 1.290(4) .
C57 F14 1.332(5) .
C58 C59 1.393(4) .
C58 C63 1.405(4) .
C59 C60 1.400(4) .
C59 H59 0.9500 .
C60 C61 1.381(4) .
C60 C64 1.498(4) .
C61 C62 1.397(4) .
C61 H61 0.9500 .
C62 C63 1.383(4) .
C62 C65 1.493(4) .
C63 H63 0.9500 .
C64 F18 1.333(4) .
C64 F16 1.335(4) .
C64 F17 1.333(4) .
C65 F19 1.331(4) .
C65 F20 1.332(4) .
C65 F21 1.341(4) .
C66 C71 1.402(5) .
C66 C67 1.401(5) .
C67 C68 1.388(5) .
C67 H67 0.9500 .
C68 C69 1.386(5) .
C68 C72 1.490(5) .
C69 C70 1.389(5) .
C69 H69 0.9500 .
C70 C71 1.382(5) .
C70 C73 1.497(5) .
C71 H71 0.9500 .
C72 F24 1.317(5) .
C72 F22 1.323(5) .
C72 F23 1.352(5) .
C73 F26 1.338(5) .
C73 F25 1.342(5) .
C73 F27 1.342(5) .
C74 C75 1.456(9) .
C74 Cl1 1.761(6) .
C74 H74A 0.9900 .
C74 H74B 0.9900 .
C75 Cl2 1.768(6) .
C75 H75A 0.9900 .
C75 H75B 0.9900 .
N1 Au1 2.170(2) 5_665
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_4
C7 C1 C2 C4 -58.8(3) . .
C3 C1 C2 C4 59.1(3) . .
P1 C1 C2 C4 175.8(2) . .
C2 C1 C3 C6 -58.1(3) . .
C7 C1 C3 C6 58.9(3) . .
P1 C1 C3 C6 177.0(2) . .
C1 C2 C4 C8 59.5(4) . .
C1 C2 C4 C5 -60.8(4) . .
C8 C4 C5 C6 -60.6(3) . .
C2 C4 C5 C6 60.1(4) . .
C4 C5 C6 C10 60.3(4) . .
C4 C5 C6 C3 -60.0(3) . .
C1 C3 C6 C5 59.9(3) . .
C1 C3 C6 C10 -61.1(4) . .
C2 C1 C7 C9 60.2(3) . .
C3 C1 C7 C9 -56.9(3) . .
P1 C1 C7 C9 -170.8(2) . .
C2 C4 C8 C9 -59.7(4) . .
C5 C4 C8 C9 60.7(4) . .
C4 C8 C9 C10 -60.2(4) . .
C4 C8 C9 C7 60.7(3) . .
C1 C7 C9 C8 -61.8(3) . .
C1 C7 C9 C10 58.4(4) . .
C5 C6 C10 C9 -60.0(4) . .
C3 C6 C10 C9 61.3(4) . .
C8 C9 C10 C6 59.4(4) . .
C7 C9 C10 C6 -60.5(4) . .
C15 C11 C12 C16 -59.5(3) . .
C13 C11 C12 C16 57.9(3) . .
P1 C11 C12 C16 172.1(2) . .
C15 C11 C13 C14 59.7(3) . .
C12 C11 C13 C14 -58.1(3) . .
P1 C11 C13 C14 -175.1(2) . .
C11 C13 C14 C17 59.7(4) . .
C11 C13 C14 C20 -60.2(4) . .
C12 C11 C15 C19 58.8(3) . .
C13 C11 C15 C19 -59.2(3) . .
P1 C11 C15 C19 -177.0(2) . .
C11 C12 C16 C17 -59.8(4) . .
C11 C12 C16 C18 60.8(3) . .
C20 C14 C17 C16 59.5(4) . .
C13 C14 C17 C16 -60.4(4) . .
C18 C16 C17 C14 -59.8(3) . .
C12 C16 C17 C14 60.5(4) . .
C17 C16 C18 C19 60.1(4) . .
C12 C16 C18 C19 -60.6(4) . .
C16 C18 C19 C20 -60.4(4) . .
C16 C18 C19 C15 60.3(4) . .
C11 C15 C19 C20 60.3(4) . .
C11 C15 C19 C18 -59.9(4) . .
C18 C19 C20 C14 60.8(3) . .
C15 C19 C20 C14 -59.9(4) . .
C17 C14 C20 C19 -60.5(4) . .
C13 C14 C20 C19 59.7(3) . .
C26 C21 C22 C23 2.4(4) . .
P1 C21 C22 C23 -173.9(2) . .
C21 C22 C23 C24 -0.1(4) . .
C22 C23 C24 C25 -1.4(5) . .
C22 C23 C24 C27 -177.4(3) . .
C23 C24 C25 C26 0.5(5) . .
C27 C24 C25 C26 176.6(3) . .
C24 C25 C26 C21 1.9(4) . .
C24 C25 C26 C28 -173.9(3) . .
C22 C21 C26 C25 -3.3(4) . .
P1 C21 C26 C25 172.9(2) . .
C22 C21 C26 C28 172.0(3) . .
P1 C21 C26 C28 -11.9(4) . .
C23 C24 C27 F1 -20.4(5) . .
C25 C24 C27 F1 163.6(3) . .
C23 C24 C27 F2 101.3(4) . .
C25 C24 C27 F2 -74.8(4) . .
C23 C24 C27 F3 -140.6(3) . .
C25 C24 C27 F3 43.3(4) . .
C25 C26 C28 C33 92.7(3) . .
C21 C26 C28 C33 -82.7(4) . .
C25 C26 C28 C29 -75.5(4) . .
C21 C26 C28 C29 109.0(3) . .
C33 C28 C29 O1 178.9(3) . .
C26 C28 C29 O1 -12.9(4) . .
C33 C28 C29 C30 -1.8(4) . .
C26 C28 C29 C30 166.4(3) . .
O1 C29 C30 C31 -179.6(3) . .
C28 C29 C30 C31 1.2(4) . .
C29 C30 C31 C32 0.9(5) . .
C30 C31 C32 C33 -2.5(4) . .
C30 C31 C32 N1 -177.7(3) . .
C31 C32 C33 C28 1.9(4) . .
N1 C32 C33 C28 176.9(3) . .
C29 C28 C33 C32 0.3(4) . .
C26 C28 C33 C32 -168.1(3) . .
N1 C35 C36 C40 179.0(3) . .
N1 C35 C36 C37 56.9(3) . .
C40 C36 C37 C38 -172.8(3) . .
C35 C36 C37 C38 -52.1(4) . .
C36 C37 C38 C39 52.8(4) . .
C36 C37 C38 C41 176.3(3) . .
C37 C38 C39 N1 -57.4(3) . .
C41 C38 C39 N1 178.5(3) . .
C50 B1 C42 C47 -79.5(3) . .
C66 B1 C42 C47 41.9(4) . .
C58 B1 C42 C47 157.3(3) . .
C50 B1 C42 C43 95.5(3) . .
C66 B1 C42 C43 -143.1(3) . .
C58 B1 C42 C43 -27.7(4) . .
C47 C42 C43 C44 -1.4(5) . .
B1 C42 C43 C44 -176.6(3) . .
C42 C43 C44 C45 -0.1(5) . .
C42 C43 C44 C48 178.5(3) . .
C43 C44 C45 C46 0.5(5) . .
C48 C44 C45 C46 -178.2(4) . .
C44 C45 C46 C47 0.8(5) . .
C44 C45 C46 C49 -179.0(3) . .
C45 C46 C47 C42 -2.5(5) . .
C49 C46 C47 C42 177.3(3) . .
C43 C42 C47 C46 2.7(5) . .
B1 C42 C47 C46 178.0(3) . .
C45 C44 C48 F6 93.9(5) . .
C43 C44 C48 F6 -84.8(5) . .
C45 C44 C48 F4 -27.5(6) . .
C43 C44 C48 F4 153.9(4) . .
C45 C44 C48 F5 -145.5(4) . .
C43 C44 C48 F5 35.9(5) . .
C45 C46 C49 F8 96.7(6) . .
C47 C46 C49 F8 -83.1(6) . .
C45 C46 C49 F9 -140.3(5) . .
C47 C46 C49 F9 39.9(6) . .
C45 C46 C49 F7 -20.2(6) . .
C47 C46 C49 F7 160.0(4) . .
C42 B1 C50 C55 93.5(3) . .
C66 B1 C50 C55 -29.7(4) . .
C58 B1 C50 C55 -143.6(3) . .
C42 B1 C50 C51 -82.7(3) . .
C66 B1 C50 C51 154.1(3) . .
C58 B1 C50 C51 40.2(4) . .
C55 C50 C51 C52 2.7(5) . .
B1 C50 C51 C52 179.2(3) . .
C50 C51 C52 C53 -2.3(5) . .
C50 C51 C52 C56 173.9(3) . .
C51 C52 C53 C54 -0.1(5) . .
C56 C52 C53 C54 -176.3(3) . .
C52 C53 C54 C55 1.9(5) . .
C52 C53 C54 C57 -179.2(3) . .
C53 C54 C55 C50 -1.4(5) . .
C57 C54 C55 C50 179.8(3) . .
C51 C50 C55 C54 -1.0(5) . .
B1 C50 C55 C54 -177.3(3) . .
C51 C52 C56 F11 25.7(4) . .
C53 C52 C56 F11 -158.1(3) . .
C51 C52 C56 F12 -95.8(4) . .
C53 C52 C56 F12 80.5(4) . .
C51 C52 C56 F10 147.3(3) . .
C53 C52 C56 F10 -36.4(4) . .
C55 C54 C57 F15 69.2(6) . .
C53 C54 C57 F15 -109.7(5) . .
C55 C54 C57 F13 -161.1(4) . .
C53 C54 C57 F13 20.1(6) . .
C55 C54 C57 F14 -45.6(5) . .
C53 C54 C57 F14 135.5(4) . .
C42 B1 C58 C59 141.7(3) . .
C50 B1 C58 C59 22.3(4) . .
C66 B1 C58 C59 -96.4(3) . .
C42 B1 C58 C63 -46.1(4) . .
C50 B1 C58 C63 -165.4(3) . .
C66 B1 C58 C63 75.8(3) . .
C63 C58 C59 C60 1.1(5) . .
B1 C58 C59 C60 173.6(3) . .
C58 C59 C60 C61 -0.6(5) . .
C58 C59 C60 C64 -179.3(3) . .
C59 C60 C61 C62 -0.3(5) . .
C64 C60 C61 C62 178.4(3) . .
C60 C61 C62 C63 0.6(5) . .
C60 C61 C62 C65 -175.0(3) . .
C61 C62 C63 C58 0.0(5) . .
C65 C62 C63 C58 175.6(3) . .
C59 C58 C63 C62 -0.9(5) . .
B1 C58 C63 C62 -173.9(3) . .
C61 C60 C64 F18 10.8(5) . .
C59 C60 C64 F18 -170.5(3) . .
C61 C60 C64 F16 131.6(3) . .
C59 C60 C64 F16 -49.7(4) . .
C61 C60 C64 F17 -110.2(4) . .
C59 C60 C64 F17 68.5(4) . .
C63 C62 C65 F19 28.9(4) . .
C61 C62 C65 F19 -155.5(3) . .
C63 C62 C65 F20 149.7(3) . .
C61 C62 C65 F20 -34.6(4) . .
C63 C62 C65 F21 -89.9(4) . .
C61 C62 C65 F21 85.7(4) . .
C42 B1 C66 C71 -166.6(3) . .
C50 B1 C66 C71 -47.8(4) . .
C58 B1 C66 C71 72.4(3) . .
C42 B1 C66 C67 20.4(4) . .
C50 B1 C66 C67 139.2(3) . .
C58 B1 C66 C67 -100.6(3) . .
C71 C66 C67 C68 1.2(5) . .
B1 C66 C67 C68 174.5(3) . .
C66 C67 C68 C69 -1.2(5) . .
C66 C67 C68 C72 179.1(3) . .
C67 C68 C69 C70 0.2(5) . .
C72 C68 C69 C70 179.9(3) . .
C68 C69 C70 C71 0.8(5) . .
C68 C69 C70 C73 -178.9(3) . .
C69 C70 C71 C66 -0.7(5) . .
C73 C70 C71 C66 179.0(3) . .
C67 C66 C71 C70 -0.3(5) . .
B1 C66 C71 C70 -173.9(3) . .
C67 C68 C72 F24 179.7(3) . .
C69 C68 C72 F24 0.0(5) . .
C67 C68 C72 F22 55.3(5) . .
C69 C68 C72 F22 -124.4(4) . .
C67 C68 C72 F23 -61.1(5) . .
C69 C68 C72 F23 119.2(4) . .
C69 C70 C73 F26 125.3(4) . .
C71 C70 C73 F26 -54.4(5) . .
C69 C70 C73 F25 4.7(5) . .
C71 C70 C73 F25 -174.9(3) . .
C69 C70 C73 F27 -115.5(4) . .
C71 C70 C73 F27 64.9(4) . .
Cl1 C74 C75 Cl2 -68.8(5) . .
C31 C32 N1 C35 -158.6(3) . .
C33 C32 N1 C35 26.4(4) . .
C31 C32 N1 C39 82.7(3) . .
C33 C32 N1 C39 -92.3(3) . .
C31 C32 N1 Au1 -33.3(3) . 5_665
C33 C32 N1 Au1 151.6(2) . 5_665
C36 C35 N1 C32 -179.9(2) . .
C36 C35 N1 C39 -60.3(3) . .
C36 C35 N1 Au1 56.0(3) . 5_665
C38 C39 N1 C32 -178.4(2) . .
C38 C39 N1 C35 60.2(3) . .
C38 C39 N1 Au1 -59.9(3) . 5_665
C30 C29 O1 C34 -7.1(4) . .
C28 C29 O1 C34 172.1(3) . .
C26 C21 P1 C11 118.5(3) . .
C22 C21 P1 C11 -65.4(3) . .
C26 C21 P1 C1 -114.9(3) . .
C22 C21 P1 C1 61.2(3) . .
C26 C21 P1 Au1 1.5(3) . .
C22 C21 P1 Au1 177.65(19) . .
C15 C11 P1 C21 59.2(3) . .
C12 C11 P1 C21 -177.0(2) . .
C13 C11 P1 C21 -60.2(2) . .
C15 C11 P1 C1 -58.1(3) . .
C12 C11 P1 C1 65.8(3) . .
C13 C11 P1 C1 -177.5(2) . .
C15 C11 P1 Au1 -177.6(2) . .
C12 C11 P1 Au1 -53.7(2) . .
C13 C11 P1 Au1 63.0(2) . .
C2 C1 P1 C21 -50.4(3) . .
C7 C1 P1 C21 -174.4(2) . .
C3 C1 P1 C21 68.5(2) . .
C2 C1 P1 C11 67.6(3) . .
C7 C1 P1 C11 -56.3(3) . .
C3 C1 P1 C11 -173.52(19) . .
C2 C1 P1 Au1 -173.1(2) . .
C7 C1 P1 Au1 63.0(2) . .
C3 C1 P1 Au1 -54.2(2) . .
N1 Au1 P1 C21 174.9(4) 5_665 .
N1 Au1 P1 C11 57.9(4) 5_665 .
N1 Au1 P1 C1 -69.7(4) 5_665 .
