#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:55:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178588 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/99/4069944.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_4069944
loop_
_publ_author_name
'Gao, Lei'
'Peay, Miya A.'
'Partyka, David V.'
'Updegraff, James B.'
'Teets, Thomas S.'
'Esswein, Arthur J.'
'Zeller, Matthias'
'Hunter, Allen D.'
'Gray, Thomas G.'
_publ_section_title
;
 Mono- and Di-Gold(I) Naphthalenes and Pyrenes: Syntheses, Crystal
 Structures, and Photophysics
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5669
_journal_paper_doi               10.1021/om9005214
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C46 H72 Au2 P2, C H2 Cl2'
_chemical_formula_sum            'C47 H74 Au2 Cl2 P2'
_chemical_formula_weight         1165.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.149(3)
_cell_angle_beta                 101.681(3)
_cell_angle_gamma                107.990(3)
_cell_formula_units_Z            2
_cell_length_a                   9.901(2)
_cell_length_b                   14.031(3)
_cell_length_c                   18.294(4)
_cell_measurement_reflns_used    6978
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.65
_cell_measurement_theta_min      2.23
_cell_volume                     2342.2(9)
_computing_cell_refinement       'Apex2 v2.1-4'
_computing_data_collection       'Apex2 v2.1-4 (Bruker, 2007)'
_computing_data_reduction        'Apex2 v2.1-4'
_computing_molecular_graphics    'SHELXTL 6.14'
_computing_publication_material  'SHELXTL 6.14'
_computing_structure_refinement  'SHELXTL 6.14'
_computing_structure_solution    'SHELXTL 6.14 (Bruker, 2000-2003)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker AXS SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            23996
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.15
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.469
_exptl_absorpt_correction_T_max  0.596
_exptl_absorpt_correction_T_min  0.394
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Apex2 v2.1-4 (Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.084
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         11526
_refine_ls_number_restraints     115
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0291P)²+4.9197P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0765
_refine_ls_wR_factor_ref         0.0833
_reflns_number_gt                9250
_reflns_number_total             11526
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om9005214_si_002.cif
_cod_data_source_block           08mz062_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4069944
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.94267(2) 0.840782(15) 0.707181(11) 0.01965(6) Uani 1 1 d . . .
Au2 Au 0.56988(2) 0.333052(15) 0.825496(12) 0.02067(6) Uani 1 1 d . . .
C1 C 0.9396(6) 0.9082(4) 0.6123(3) 0.0231(11) Uani 1 1 d . . .
C2 C 1.0520(6) 0.9260(4) 0.5757(3) 0.0207(11) Uani 1 1 d . . .
H2 H 1.1290 0.9002 0.5929 0.025 Uiso 1 1 calc R . .
C3 C 1.0581(6) 0.9815(4) 0.5133(3) 0.0210(11) Uani 1 1 d . . .
C4 C 0.8249(6) 0.9436(4) 0.5834(3) 0.0255(12) Uani 1 1 d . . .
H4 H 0.7440 0.9299 0.6062 0.031 Uiso 1 1 calc R . .
C5 C 0.8243(6) 0.9980(4) 0.5231(3) 0.0237(11) Uani 1 1 d . . .
H5 H 0.7448 1.0215 0.5060 0.028 Uiso 1 1 calc R . .
C6 C 1.1128(6) 0.8305(4) 0.8882(3) 0.0199(11) Uani 1 1 d . . .
H6 H 1.1977 0.8361 0.8651 0.024 Uiso 1 1 calc R . .
C7 C 1.1170(6) 0.9398(4) 0.9096(3) 0.0244(12) Uani 1 1 d . . .
H7A H 1.1021 0.9716 0.8634 0.029 Uiso 1 1 calc R . .
H7B H 1.0369 0.9389 0.9346 0.029 Uiso 1 1 calc R . .
C8 C 1.2648(7) 1.0026(4) 0.9630(3) 0.0309(13) Uani 1 1 d . . .
H8A H 1.3436 1.0096 0.9360 0.037 Uiso 1 1 calc R . .
H8B H 1.2633 1.0713 0.9785 0.037 Uiso 1 1 calc R . .
C9 C 1.2973(7) 0.9532(4) 1.0331(3) 0.0317(13) Uani 1 1 d . . .
H9A H 1.2274 0.9564 1.0642 0.038 Uiso 1 1 calc R . .
H9B H 1.3968 0.9923 1.0634 0.038 Uiso 1 1 calc R . .
C10 C 1.2870(6) 0.8420(4) 1.0145(4) 0.0292(13) Uani 1 1 d . . .
H10A H 1.3688 0.8392 0.9919 0.035 Uiso 1 1 calc R . .
H10B H 1.2958 0.8113 1.0615 0.035 Uiso 1 1 calc R . .
C11 C 1.1407(6) 0.7812(4) 0.9591(3) 0.0226(11) Uani 1 1 d . . .
H11A H 1.1409 0.7120 0.9443 0.027 Uiso 1 1 calc R . .
H11B H 1.0602 0.7754 0.9848 0.027 Uiso 1 1 calc R . .
C12 C 0.9550(5) 0.6337(4) 0.7884(3) 0.0188(10) Uani 1 1 d . . .
H12 H 0.9477 0.5965 0.8329 0.023 Uiso 1 1 calc R . .
C13 C 1.1016(6) 0.6432(4) 0.7680(3) 0.0272(12) Uani 1 1 d . . .
H13A H 1.1156 0.6887 0.7293 0.033 Uiso 1 1 calc R . .
H13B H 1.1823 0.6739 0.8133 0.033 Uiso 1 1 calc R . .
C14 C 1.1076(7) 0.5401(5) 0.7379(4) 0.0336(14) Uani 1 1 d . . .
H14A H 1.2001 0.5502 0.7218 0.040 Uiso 1 1 calc R . .
H14B H 1.1072 0.4978 0.7790 0.040 Uiso 1 1 calc R . .
C15 C 0.9796(7) 0.4849(5) 0.6719(3) 0.0339(14) Uani 1 1 d . . .
H15A H 0.9862 0.5231 0.6286 0.041 Uiso 1 1 calc R . .
H15B H 0.9843 0.4171 0.6563 0.041 Uiso 1 1 calc R . .
C16 C 0.8362(7) 0.4733(4) 0.6924(3) 0.0318(13) Uani 1 1 d . . .
H16A H 0.8252 0.4288 0.7319 0.038 Uiso 1 1 calc R . .
H16B H 0.7552 0.4405 0.6475 0.038 Uiso 1 1 calc R . .
C17 C 0.8257(6) 0.5751(4) 0.7212(3) 0.0254(12) Uani 1 1 d . . .
H17A H 0.7328 0.5636 0.7370 0.030 Uiso 1 1 calc R . .
H17B H 0.8246 0.6166 0.6797 0.030 Uiso 1 1 calc R . .
C18 C 0.7884(6) 0.7491(4) 0.8549(3) 0.0230(11) Uani 1 1 d . . .
H18 H 0.8170 0.8111 0.8929 0.028 Uiso 1 1 calc R . .
C19 C 0.7473(6) 0.6586(4) 0.8982(3) 0.0223(11) Uani 1 1 d . . .
H19A H 0.7181 0.5947 0.8631 0.027 Uiso 1 1 calc R . .
H19B H 0.8333 0.6612 0.9379 0.027 Uiso 1 1 calc R . .
C20 C 0.6216(6) 0.6602(5) 0.9342(3) 0.0292(13) Uani 1 1 d . . .
H20A H 0.5935 0.5994 0.9594 0.035 Uiso 1 1 calc R . .
H20B H 0.6548 0.7206 0.9732 0.035 Uiso 1 1 calc R . .
C21 C 0.4892(7) 0.6624(5) 0.8767(4) 0.0326(14) Uani 1 1 d . . .
H21A H 0.4125 0.6671 0.9027 0.039 Uiso 1 1 calc R . .
H21B H 0.4494 0.5986 0.8407 0.039 Uiso 1 1 calc R . .
C22 C 0.5288(6) 0.7520(5) 0.8336(4) 0.0318(14) Uani 1 1 d . . .
H22A H 0.5575 0.8158 0.8686 0.038 Uiso 1 1 calc R . .
H22B H 0.4422 0.7489 0.7941 0.038 Uiso 1 1 calc R . .
C23 C 0.6555(6) 0.7515(5) 0.7967(3) 0.0297(13) Uani 1 1 d . . .
H23A H 0.6227 0.6915 0.7574 0.036 Uiso 1 1 calc R . .
H23B H 0.6832 0.8128 0.7720 0.036 Uiso 1 1 calc R . .
C24 C 0.7477(6) 0.4063(4) 0.9120(3) 0.0200(11) Uani 1 1 d . . .
C25 C 0.8890(6) 0.4282(4) 0.9057(3) 0.0217(11) Uani 1 1 d . . .
H25 H 0.9060 0.4053 0.8594 0.026 Uiso 1 1 calc R . .
C26 C 1.0115(5) 0.4836(4) 0.9650(3) 0.0193(11) Uani 1 1 d . . .
C27 C 0.7257(6) 0.4387(4) 0.9830(3) 0.0248(12) Uani 1 1 d . . .
H27 H 0.6291 0.4229 0.9898 0.030 Uiso 1 1 calc R . .
C28 C 0.8417(6) 0.4924(4) 1.0417(3) 0.0231(11) Uani 1 1 d . . .
H28 H 0.8231 0.5140 1.0880 0.028 Uiso 1 1 calc R . .
C29 C 0.3623(6) 0.1205(4) 0.7001(3) 0.0229(11) Uani 1 1 d . . .
H29 H 0.2681 0.0838 0.6625 0.027 Uiso 1 1 calc R . .
C30 C 0.4905(6) 0.1246(4) 0.6634(3) 0.0256(12) Uani 1 1 d . . .
H30A H 0.4761 0.1532 0.6157 0.031 Uiso 1 1 calc R . .
H30B H 0.5825 0.1701 0.6975 0.031 Uiso 1 1 calc R . .
C31 C 0.5037(7) 0.0198(5) 0.6471(4) 0.0322(14) Uani 1 1 d . . .
H31A H 0.4165 -0.0235 0.6085 0.039 Uiso 1 1 calc R . .
H31B H 0.5908 0.0264 0.6265 0.039 Uiso 1 1 calc R . .
C32 C 0.5170(7) -0.0298(5) 0.7175(4) 0.0347(14) Uani 1 1 d . . .
H32A H 0.6083 0.0108 0.7546 0.042 Uiso 1 1 calc R . .
H32B H 0.5227 -0.0980 0.7049 0.042 Uiso 1 1 calc R . .
C33 C 0.3873(6) -0.0389(4) 0.7523(3) 0.0290(13) Uani 1 1 d . . .
H33A H 0.4008 -0.0690 0.7994 0.035 Uiso 1 1 calc R . .
H33B H 0.2969 -0.0844 0.7169 0.035 Uiso 1 1 calc R . .
C34 C 0.3715(7) 0.0650(4) 0.7696(3) 0.0287(13) Uani 1 1 d . . .
H34A H 0.4563 0.1072 0.8100 0.034 Uiso 1 1 calc R . .
H34B H 0.2822 0.0562 0.7886 0.034 Uiso 1 1 calc R . .
C35 C 0.1943(6) 0.2427(4) 0.7563(3) 0.0235(11) Uani 1 1 d . . .
H35 H 0.1749 0.3067 0.7454 0.028 Uiso 1 1 calc R . .
C36 C 0.0589(6) 0.1554(5) 0.7117(3) 0.0300(13) Uani 1 1 d . . .
H36A H 0.0480 0.1584 0.6569 0.036 Uiso 1 1 calc R . .
H36B H 0.0710 0.0898 0.7217 0.036 Uiso 1 1 calc R . .
C37 C -0.0772(6) 0.1635(5) 0.7348(4) 0.0356(15) Uani 1 1 d . . .
H37A H -0.0920 0.2273 0.7216 0.043 Uiso 1 1 calc R . .
H37B H -0.1635 0.1065 0.7062 0.043 Uiso 1 1 calc R . .
C38 C -0.0653(7) 0.1616(5) 0.8179(4) 0.0360(15) Uani 1 1 d . . .
H38A H -0.0611 0.0949 0.8303 0.043 Uiso 1 1 calc R . .
H38B H -0.1532 0.1707 0.8310 0.043 Uiso 1 1 calc R . .
C39 C 0.0691(7) 0.2439(6) 0.8640(4) 0.0441(17) Uani 1 1 d . . .
H39A H 0.0788 0.2363 0.9180 0.053 Uiso 1 1 calc R . .
H39B H 0.0573 0.3106 0.8576 0.053 Uiso 1 1 calc R . .
C40 C 0.2091(6) 0.2415(5) 0.8413(3) 0.0339(14) Uani 1 1 d . . .
H40A H 0.2923 0.3010 0.8693 0.041 Uiso 1 1 calc R . .
H40B H 0.2299 0.1797 0.8551 0.041 Uiso 1 1 calc R . .
C41 C 0.3712(6) 0.3173(4) 0.6463(3) 0.0247(12) Uani 1 1 d . . .
H41 H 0.4597 0.3147 0.6291 0.030 Uiso 1 1 calc R . .
C42 C 0.3958(7) 0.4303(4) 0.6697(3) 0.0332(14) Uani 1 1 d . . .
H42A H 0.3104 0.4368 0.6872 0.040 Uiso 1 1 calc R . .
H42B H 0.4829 0.4583 0.7124 0.040 Uiso 1 1 calc R . .
C43 C 0.4177(7) 0.4911(5) 0.6051(4) 0.0401(16) Uani 1 1 d . . .
H43A H 0.5089 0.4905 0.5910 0.048 Uiso 1 1 calc R . .
H43B H 0.4282 0.5623 0.6217 0.048 Uiso 1 1 calc R . .
C44 C 0.2892(8) 0.4477(5) 0.5364(4) 0.0402(16) Uani 1 1 d . . .
H44A H 0.2005 0.4558 0.5492 0.048 Uiso 1 1 calc R . .
H44B H 0.3096 0.4867 0.4947 0.048 Uiso 1 1 calc R . .
C45 C 0.2598(8) 0.3368(4) 0.5101(3) 0.0353(15) Uani 1 1 d . . .
H45A H 0.3419 0.3291 0.4898 0.042 Uiso 1 1 calc R . .
H45B H 0.1696 0.3105 0.4692 0.042 Uiso 1 1 calc R . .
C46 C 0.2422(7) 0.2744(4) 0.5774(3) 0.0288(13) Uani 1 1 d . . .
H46A H 0.1512 0.2739 0.5922 0.035 Uiso 1 1 calc R . .
H46B H 0.2325 0.2035 0.5604 0.035 Uiso 1 1 calc R . .
P1 P 0.94688(14) 0.76170(10) 0.81294(7) 0.0178(3) Uani 1 1 d . . .
P2 P 0.36775(14) 0.25052(10) 0.72963(8) 0.0194(3) Uani 1 1 d . . .
C47 C 0.143(3) 0.703(3) 0.5109(11) 0.116(10) Uani 0.526(3) 1 d PDU A 1
H47A H 0.0742 0.7416 0.5128 0.139 Uiso 0.526(3) 1 calc PR A 1
H47B H 0.0870 0.6313 0.4911 0.139 Uiso 0.526(3) 1 calc PR A 1
Cl1 Cl 0.2725(9) 0.7193(5) 0.6050(3) 0.086(2) Uani 0.526(3) 1 d PDU A 1
Cl2 Cl 0.2813(8) 0.7608(4) 0.4552(3) 0.093(2) Uani 0.526(3) 1 d PDU A 1
C48 C 0.226(3) 0.747(5) 0.484(2) 0.121(9) Uani 0.301(6) 1 d PDU B 2
H48A H 0.1812 0.6935 0.4390 0.145 Uiso 0.301(6) 1 calc PR B 2
H48B H 0.1999 0.8080 0.4736 0.145 Uiso 0.301(6) 1 calc PR B 2
Cl3 Cl 0.4294(11) 0.7744(8) 0.5177(5) 0.089(3) Uani 0.301(6) 1 d PDU B 2
Cl4 Cl 0.1798(18) 0.6998(11) 0.5732(11) 0.120(6) Uani 0.301(6) 1 d PDU B 2
C49 C 0.346(4) 0.700(7) 0.482(2) 0.112(13) Uani 0.173(6) 1 d PDU C 3
H49A H 0.3310 0.6275 0.4684 0.135 Uiso 0.173(6) 1 calc PR C 3
H49B H 0.3919 0.7412 0.4465 0.135 Uiso 0.173(6) 1 calc PR C 3
Cl5 Cl 0.440(2) 0.7506(13) 0.5847(10) 0.093(6) Uani 0.173(6) 1 d PDU C 3
Cl6 Cl 0.177(2) 0.7258(19) 0.4991(14) 0.087(6) Uani 0.173(6) 1 d PDU C 3
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Au1 P1 178.75(16) . .
C24 Au2 P2 179.08(15) . .
C2 C1 C4 116.8(5) . .
C2 C1 Au1 122.4(4) . .
C4 C1 Au1 120.7(4) . .
C1 C2 C3 123.2(5) . .
C1 C2 H2 118.4 . .
C3 C2 H2 118.4 . .
C3 C3 C5 118.3(6) 2_776 2_776
C3 C3 C2 118.5(6) 2_776 .
C5 C3 C2 123.2(5) 2_776 .
C5 C4 C1 122.8(5) . .
C5 C4 H4 118.6 . .
C1 C4 H4 118.6 . .
C4 C5 C3 120.3(5) . 2_776
C4 C5 H5 119.8 . .
C3 C5 H5 119.8 2_776 .
C11 C6 C7 110.4(4) . .
C11 C6 P1 117.5(4) . .
C7 C6 P1 110.0(4) . .
C11 C6 H6 106.1 . .
C7 C6 H6 106.1 . .
P1 C6 H6 106.1 . .
C8 C7 C6 110.5(5) . .
C8 C7 H7A 109.5 . .
C6 C7 H7A 109.5 . .
C8 C7 H7B 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
C9 C8 C7 111.6(5) . .
C9 C8 H8A 109.3 . .
C7 C8 H8A 109.3 . .
C9 C8 H8B 109.3 . .
C7 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
C8 C9 C10 113.1(5) . .
C8 C9 H9A 109.0 . .
C10 C9 H9A 109.0 . .
C8 C9 H9B 109.0 . .
C10 C9 H9B 109.0 . .
H9A C9 H9B 107.8 . .
C11 C10 C9 110.8(5) . .
C11 C10 H10A 109.5 . .
C9 C10 H10A 109.5 . .
C11 C10 H10B 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 108.1 . .
C6 C11 C10 112.3(4) . .
C6 C11 H11A 109.1 . .
C10 C11 H11A 109.1 . .
C6 C11 H11B 109.1 . .
C10 C11 H11B 109.1 . .
H11A C11 H11B 107.9 . .
C13 C12 C17 110.4(4) . .
C13 C12 P1 109.3(4) . .
C17 C12 P1 109.4(3) . .
C13 C12 H12 109.2 . .
C17 C12 H12 109.2 . .
P1 C12 H12 109.2 . .
C14 C13 C12 111.8(5) . .
C14 C13 H13A 109.2 . .
C12 C13 H13A 109.2 . .
C14 C13 H13B 109.2 . .
C12 C13 H13B 109.2 . .
H13A C13 H13B 107.9 . .
C15 C14 C13 112.1(5) . .
C15 C14 H14A 109.2 . .
C13 C14 H14A 109.2 . .
C15 C14 H14B 109.2 . .
C13 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C16 C15 C14 111.1(5) . .
C16 C15 H15A 109.4 . .
C14 C15 H15A 109.4 . .
C16 C15 H15B 109.4 . .
C14 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
C15 C16 C17 112.0(5) . .
C15 C16 H16A 109.2 . .
C17 C16 H16A 109.2 . .
C15 C16 H16B 109.2 . .
C17 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
C16 C17 C12 111.9(5) . .
C16 C17 H17A 109.2 . .
C12 C17 H17A 109.2 . .
C16 C17 H17B 109.2 . .
C12 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C23 C18 C19 111.0(4) . .
C23 C18 P1 111.5(4) . .
C19 C18 P1 115.6(4) . .
C23 C18 H18 106.0 . .
C19 C18 H18 106.0 . .
P1 C18 H18 106.0 . .
C20 C19 C18 110.6(4) . .
C20 C19 H19A 109.5 . .
C18 C19 H19A 109.5 . .
C20 C19 H19B 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 108.1 . .
C21 C20 C19 112.0(5) . .
C21 C20 H20A 109.2 . .
C19 C20 H20A 109.2 . .
C21 C20 H20B 109.2 . .
C19 C20 H20B 109.2 . .
H20A C20 H20B 107.9 . .
C20 C21 C22 111.2(5) . .
C20 C21 H21A 109.4 . .
C22 C21 H21A 109.4 . .
C20 C21 H21B 109.4 . .
C22 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C21 C22 C23 111.1(5) . .
C21 C22 H22A 109.4 . .
C23 C22 H22A 109.4 . .
C21 C22 H22B 109.4 . .
C23 C22 H22B 109.4 . .
H22A C22 H22B 108.0 . .
C18 C23 C22 111.3(5) . .
C18 C23 H23A 109.4 . .
C22 C23 H23A 109.4 . .
C18 C23 H23B 109.4 . .
C22 C23 H23B 109.4 . .
H23A C23 H23B 108.0 . .
C25 C24 C27 117.1(5) . .
C25 C24 Au2 123.7(4) . .
C27 C24 Au2 119.2(4) . .
C24 C25 C26 123.2(5) . .
C24 C25 H25 118.4 . .
C26 C25 H25 118.4 . .
C26 C26 C25 119.2(6) 2_767 .
C26 C26 C28 117.5(6) 2_767 2_767
C25 C26 C28 123.3(5) . 2_767
C28 C27 C24 121.3(5) . .
C28 C27 H27 119.3 . .
C24 C27 H27 119.3 . .
C27 C28 C26 121.6(5) . 2_767
C27 C28 H28 119.2 . .
C26 C28 H28 119.2 2_767 .
C30 C29 C34 110.7(4) . .
C30 C29 P2 109.5(4) . .
C34 C29 P2 109.0(4) . .
C30 C29 H29 109.2 . .
C34 C29 H29 109.2 . .
P2 C29 H29 109.2 . .
C31 C30 C29 111.9(5) . .
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 111.3(5) . .
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 111.2(5) . .
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 . .
C32 C33 C34 110.8(5) . .
C32 C33 H33A 109.5 . .
C34 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
C34 C33 H33B 109.5 . .
H33A C33 H33B 108.1 . .
C33 C34 C29 112.6(5) . .
C33 C34 H34A 109.1 . .
C29 C34 H34A 109.1 . .
C33 C34 H34B 109.1 . .
C29 C34 H34B 109.1 . .
H34A C34 H34B 107.8 . .
C40 C35 C36 110.2(5) . .
C40 C35 P2 111.6(4) . .
C36 C35 P2 115.6(4) . .
C40 C35 H35 106.3 . .
C36 C35 H35 106.3 . .
P2 C35 H35 106.3 . .
C37 C36 C35 109.8(5) . .
C37 C36 H36A 109.7 . .
C35 C36 H36A 109.7 . .
C37 C36 H36B 109.7 . .
C35 C36 H36B 109.7 . .
H36A C36 H36B 108.2 . .
C38 C37 C36 112.0(5) . .
C38 C37 H37A 109.2 . .
C36 C37 H37A 109.2 . .
C38 C37 H37B 109.2 . .
C36 C37 H37B 109.2 . .
H37A C37 H37B 107.9 . .
C37 C38 C39 111.2(5) . .
C37 C38 H38A 109.4 . .
C39 C38 H38A 109.4 . .
C37 C38 H38B 109.4 . .
C39 C38 H38B 109.4 . .
H38A C38 H38B 108.0 . .
C38 C39 C40 112.6(5) . .
C38 C39 H39A 109.1 . .
C40 C39 H39A 109.1 . .
C38 C39 H39B 109.1 . .
C40 C39 H39B 109.1 . .
H39A C39 H39B 107.8 . .
C35 C40 C39 111.3(5) . .
C35 C40 H40A 109.4 . .
C39 C40 H40A 109.4 . .
C35 C40 H40B 109.4 . .
C39 C40 H40B 109.4 . .
H40A C40 H40B 108.0 . .
C46 C41 C42 109.7(5) . .
C46 C41 P2 117.9(4) . .
C42 C41 P2 110.0(4) . .
C46 C41 H41 106.2 . .
C42 C41 H41 106.2 . .
P2 C41 H41 106.2 . .
C43 C42 C41 112.0(5) . .
C43 C42 H42A 109.2 . .
C41 C42 H42A 109.2 . .
C43 C42 H42B 109.2 . .
C41 C42 H42B 109.2 . .
H42A C42 H42B 107.9 . .
C42 C43 C44 111.3(5) . .
C42 C43 H43A 109.4 . .
C44 C43 H43A 109.4 . .
C42 C43 H43B 109.4 . .
C44 C43 H43B 109.4 . .
H43A C43 H43B 108.0 . .
C45 C44 C43 112.8(5) . .
C45 C44 H44A 109.0 . .
C43 C44 H44A 109.0 . .
C45 C44 H44B 109.0 . .
C43 C44 H44B 109.0 . .
H44A C44 H44B 107.8 . .
C44 C45 C46 110.2(5) . .
C44 C45 H45A 109.6 . .
C46 C45 H45A 109.6 . .
C44 C45 H45B 109.6 . .
C46 C45 H45B 109.6 . .
H45A C45 H45B 108.1 . .
C41 C46 C45 112.9(5) . .
C41 C46 H46A 109.0 . .
C45 C46 H46A 109.0 . .
C41 C46 H46B 109.0 . .
C45 C46 H46B 109.0 . .
H46A C46 H46B 107.8 . .
C18 P1 C12 108.4(2) . .
C18 P1 C6 106.7(2) . .
C12 P1 C6 106.9(2) . .
C18 P1 Au1 114.70(17) . .
C12 P1 Au1 108.76(17) . .
C6 P1 Au1 111.07(17) . .
C41 P2 C29 107.6(3) . .
C41 P2 C35 106.8(3) . .
C29 P2 C35 108.1(2) . .
C41 P2 Au2 110.67(18) . .
C29 P2 Au2 110.81(18) . .
C35 P2 Au2 112.70(18) . .
Cl1 C47 Cl2 98.4(12) . .
Cl1 C47 H47A 112.1 . .
Cl2 C47 H47A 112.1 . .
Cl1 C47 H47B 112.1 . .
Cl2 C47 H47B 112.1 . .
H47A C47 H47B 109.7 . .
Cl3 C48 Cl4 95.1(16) . .
Cl3 C48 H48A 112.7 . .
Cl4 C48 H48A 112.7 . .
Cl3 C48 H48B 112.7 . .
Cl4 C48 H48B 112.7 . .
H48A C48 H48B 110.2 . .
Cl5 C49 Cl6 89(2) . .
Cl5 C49 H49A 113.8 . .
Cl6 C49 H49A 113.8 . .
Cl5 C49 H49B 113.8 . .
Cl6 C49 H49B 113.8 . .
H49A C49 H49B 111.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.035(5) .
Au1 P1 2.2984(14) .
Au2 C24 2.044(5) .
Au2 P2 2.2968(14) .
C1 C2 1.379(7) .
C1 C4 1.400(8) .
C2 C3 1.429(7) .
C2 H2 0.9500 .
C3 C3 1.419(10) 2_776
C3 C5 1.420(7) 2_776
C4 C5 1.386(7) .
C4 H4 0.9500 .
C5 C3 1.420(7) 2_776
C5 H5 0.9500 .
C6 C11 1.530(7) .
C6 C7 1.541(7) .
C6 P1 1.854(5) .
C6 H6 1.0000 .
C7 C8 1.540(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.525(8) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.540(8) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.540(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.540(7) .
C12 C17 1.547(7) .
C12 P1 1.849(5) .
C12 H12 1.0000 .
C13 C14 1.533(8) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.518(8) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.505(8) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.527(8) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C23 1.528(7) .
C18 C19 1.536(7) .
C18 P1 1.849(5) .
C18 H18 1.0000 .
C19 C20 1.528(7) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.516(8) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.523(8) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.542(8) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.368(7) .
C24 C27 1.424(8) .
C25 C26 1.419(7) .
C25 H25 0.9500 .
C26 C26 1.414(10) 2_767
C26 C28 1.421(7) 2_767
C27 C28 1.375(8) .
C27 H27 0.9500 .
C28 C26 1.421(7) 2_767
C28 H28 0.9500 .
C29 C30 1.539(7) .
C29 C34 1.541(8) .
C29 P2 1.847(5) .
C29 H29 1.0000 .
C30 C31 1.530(8) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.510(8) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.521(8) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.530(8) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C40 1.533(8) .
C35 C36 1.536(8) .
C35 P2 1.852(5) .
C35 H35 1.0000 .
C36 C37 1.525(8) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.505(9) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C39 1.507(9) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.534(8) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C46 1.532(8) .
C41 C42 1.541(8) .
C41 P2 1.846(6) .
C41 H41 1.0000 .
C42 C43 1.520(8) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.527(9) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 C45 1.515(9) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 C46 1.569(8) .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
C46 H46A 0.9900 .
C46 H46B 0.9900 .
C47 Cl1 1.88(2) .
C47 Cl2 1.891(19) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 Cl3 1.89(2) .
C48 Cl4 1.90(2) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 Cl5 1.89(2) .
C49 Cl6 1.89(2) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C4 C1 C2 C3 2.6(8) .
Au1 C1 C2 C3 -174.1(4) .
C1 C2 C3 C3 -1.1(10) 2_776
C1 C2 C3 C5 178.3(5) 2_776
C2 C1 C4 C5 -2.7(8) .
Au1 C1 C4 C5 174.1(4) .
C1 C4 C5 C3 1.1(9) 2_776
C11 C6 C7 C8 57.3(6) .
P1 C6 C7 C8 -171.4(4) .
C6 C7 C8 C9 -55.7(6) .
C7 C8 C9 C10 53.3(7) .
C8 C9 C10 C11 -51.6(7) .
C7 C6 C11 C10 -56.9(6) .
P1 C6 C11 C10 175.9(4) .
C9 C10 C11 C6 53.4(7) .
C17 C12 C13 C14 -52.7(6) .
P1 C12 C13 C14 -173.1(4) .
C12 C13 C14 C15 54.5(7) .
C13 C14 C15 C16 -55.5(7) .
C14 C15 C16 C17 55.9(7) .
C15 C16 C17 C12 -55.3(6) .
C13 C12 C17 C16 53.1(6) .
P1 C12 C17 C16 173.4(4) .
C23 C18 C19 C20 -55.3(6) .
P1 C18 C19 C20 176.4(4) .
C18 C19 C20 C21 55.9(7) .
C19 C20 C21 C22 -56.1(7) .
C20 C21 C22 C23 55.2(7) .
C19 C18 C23 C22 55.4(6) .
P1 C18 C23 C22 -174.2(4) .
C21 C22 C23 C18 -55.3(7) .
C27 C24 C25 C26 -2.1(8) .
Au2 C24 C25 C26 176.8(4) .
C24 C25 C26 C26 1.4(9) 2_767
C24 C25 C26 C28 -179.1(5) 2_767
C25 C24 C27 C28 2.0(8) .
Au2 C24 C27 C28 -176.9(4) .
C24 C27 C28 C26 -1.2(8) 2_767
C34 C29 C30 C31 52.3(6) .
P2 C29 C30 C31 172.5(4) .
C29 C30 C31 C32 -55.6(7) .
C30 C31 C32 C33 57.5(7) .
C31 C32 C33 C34 -56.8(7) .
C32 C33 C34 C29 54.6(7) .
C30 C29 C34 C33 -52.2(6) .
P2 C29 C34 C33 -172.7(4) .
C40 C35 C36 C37 57.1(6) .
P2 C35 C36 C37 -175.2(4) .
C35 C36 C37 C38 -58.2(7) .
C36 C37 C38 C39 56.0(8) .
C37 C38 C39 C40 -53.2(8) .
C36 C35 C40 C39 -54.9(7) .
P2 C35 C40 C39 175.3(5) .
C38 C39 C40 C35 53.3(8) .
C46 C41 C42 C43 -55.6(7) .
P2 C41 C42 C43 173.2(4) .
C41 C42 C43 C44 56.3(7) .
C42 C43 C44 C45 -55.7(8) .
C43 C44 C45 C46 53.2(7) .
C42 C41 C46 C45 54.2(6) .
P2 C41 C46 C45 -178.9(4) .
C44 C45 C46 C41 -53.4(7) .
C23 C18 P1 C12 -97.6(4) .
C19 C18 P1 C12 30.3(5) .
C23 C18 P1 C6 147.6(4) .
C19 C18 P1 C6 -84.5(4) .
C23 C18 P1 Au1 24.1(5) .
C19 C18 P1 Au1 152.1(3) .
C13 C12 P1 C18 -169.0(4) .
C17 C12 P1 C18 69.9(4) .
C13 C12 P1 C6 -54.3(4) .
C17 C12 P1 C6 -175.4(4) .
C13 C12 P1 Au1 65.7(4) .
C17 C12 P1 Au1 -55.4(4) .
C11 C6 P1 C18 61.0(4) .
C7 C6 P1 C18 -66.4(4) .
C11 C6 P1 C12 -54.8(4) .
C7 C6 P1 C12 177.8(4) .
C11 C6 P1 Au1 -173.3(3) .
C7 C6 P1 Au1 59.3(4) .
C46 C41 P2 C29 60.5(5) .
C42 C41 P2 C29 -172.7(4) .
C46 C41 P2 C35 -55.4(5) .
C42 C41 P2 C35 71.4(4) .
C46 C41 P2 Au2 -178.4(4) .
C42 C41 P2 Au2 -51.5(4) .
C30 C29 P2 C41 54.4(4) .
C34 C29 P2 C41 175.6(4) .
C30 C29 P2 C35 169.3(4) .
C34 C29 P2 C35 -69.4(4) .
C30 C29 P2 Au2 -66.7(4) .
C34 C29 P2 Au2 54.5(4) .
C40 C35 P2 C41 -150.5(4) .
C36 C35 P2 C41 82.5(5) .
C40 C35 P2 C29 94.0(4) .
C36 C35 P2 C29 -33.0(5) .
C40 C35 P2 Au2 -28.8(5) .
C36 C35 P2 Au2 -155.8(4) .
