#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/80/7118013.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_7118013
loop_
_publ_author_name
'Michael Stollenz'
'Deeb Taher'
'Nattamai Bhuvanesh'
'Joseph H. Reibenspies'
'Zuzana Baranova'
'John A. Gladysz'
_publ_section_title
;
 Steric control of the in/out sense of bridgehead substituents in
 macrobicyclic compounds: isolation of new 'crossed chain' variants of
 in/out isomers
;
_journal_name_full               Chem.Commun.
_journal_page_first              16053
_journal_paper_doi               10.1039/C5cc05620A
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C118 H192 Au2 O P2'
_chemical_formula_weight         2082.59
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-07-03 deposited with the CCDC.
2015-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   47.793(3)
_cell_length_b                   13.1566(9)
_cell_length_c                   17.5594(12)
_cell_measurement_reflns_used    9717
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      62.37
_cell_measurement_theta_min      3.83
_cell_volume                     11041.2(13)
_computing_cell_refinement
; 
  CELL-NOW (Sheldrick, 2003) and SAINT (BRUKER-NONIUS, 2003) 
;
_computing_data_collection       'FRAMBO (BRUKER-NONIUS, 2003)'
_computing_data_reduction        'Bruker APEX2'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'BRUKER GADDS D8 Discover'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       53
_diffrn_reflns_limit_h_min       -53
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            248826
_diffrn_reflns_theta_full        60.00
_diffrn_reflns_theta_max         60.00
_diffrn_reflns_theta_min         1.85
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.528
_exptl_absorpt_correction_T_max  0.8975
_exptl_absorpt_correction_T_min  0.4361
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; (Sheldrick, 2006)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.253
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4384
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.899
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.079
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1108
_refine_ls_number_reflns         16224
_refine_ls_number_restraints     349
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0307
_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)+(0.0207P)²+28.0156P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0664
_reflns_number_gt                15524
_reflns_number_total             16224
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc05620a2.cif
_cod_data_source_block           pna21
_cod_original_cell_volume        11041.3(13)
_cod_original_sg_symbol_H-M      Pna2(1)
_cod_database_code               7118013
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'
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 0.670585(4) -0.131784(17) 0.953567(14) 0.02567(6) Uani 1 1 d . . .
Au2 Au 0.967363(4) 0.240415(14) 0.998967(15) 0.01792(5) Uani 1 1 d . . .
P1 P 0.71511(3) -0.07060(12) 0.96234(11) 0.0354(4) Uani 1 1 d . . .
P2 P 0.93224(3) 0.14719(10) 0.94606(9) 0.0202(3) Uani 1 1 d . . .
C1 C 0.72428(16) -0.0321(5) 1.0592(4) 0.0457(17) Uani 1 1 d DU . .
H1A H 0.7440 -0.0088 1.0596 0.055 Uiso 1 1 calc R . .
H1B H 0.7124 0.0264 1.0739 0.055 Uiso 1 1 calc R . .
C2 C 0.72080(18) -0.1163(5) 1.1189(4) 0.0561(18) Uani 1 1 d DU . .
H2A H 0.7325 -0.1754 1.1046 0.067 Uiso 1 1 calc R . .
H2B H 0.7010 -0.1386 1.1202 0.067 Uiso 1 1 calc R . .
C3 C 0.72959(19) -0.0777(7) 1.1990(4) 0.080(2) Uani 1 1 d DU . .
H3A H 0.7175 -0.0194 1.2124 0.096 Uiso 1 1 calc R . .
H3B H 0.7257 -0.1324 1.2362 0.096 Uiso 1 1 calc R . .
C4 C 0.76051(17) -0.0441(7) 1.2087(5) 0.076(2) Uani 1 1 d DU . .
H4A H 0.7627 0.0232 1.1841 0.091 Uiso 1 1 calc R . .
H4B H 0.7641 -0.0346 1.2638 0.091 Uiso 1 1 calc R . .
C5 C 0.78296(17) -0.1131(7) 1.1778(6) 0.083(2) Uani 1 1 d DU . .
H5A H 0.7791 -0.1247 1.1231 0.100 Uiso 1 1 calc R . .
H5B H 0.7814 -0.1796 1.2038 0.100 Uiso 1 1 calc R . .
C6 C 0.81383(17) -0.0754(7) 1.1859(5) 0.079(2) Uani 1 1 d DU . .
H6A H 0.8260 -0.1184 1.1534 0.095 Uiso 1 1 calc R . .
H6B H 0.8150 -0.0050 1.1662 0.095 Uiso 1 1 calc R . .
C7 C 0.82480(15) -0.0770(7) 1.2635(5) 0.071(2) Uani 1 1 d DU . .
H7A H 0.8262 -0.1484 1.2811 0.085 Uiso 1 1 calc R . .
H7B H 0.8116 -0.0411 1.2976 0.085 Uiso 1 1 calc R . .
C8 C 0.85309(14) -0.0279(6) 1.2695(5) 0.063(2) Uani 1 1 d DU . .
H8A H 0.8583 -0.0233 1.3240 0.076 Uiso 1 1 calc R . .
H8B H 0.8518 0.0422 1.2495 0.076 Uiso 1 1 calc R . .
C9 C 0.87612(12) -0.0830(5) 1.2274(4) 0.0412(15) Uani 1 1 d DU . .
H9A H 0.8714 -0.0854 1.1726 0.049 Uiso 1 1 calc R . .
H9B H 0.8772 -0.1539 1.2462 0.049 Uiso 1 1 calc R . .
C10 C 0.90478(12) -0.0323(5) 1.2373(3) 0.0347(14) Uani 1 1 d DU . .
H10A H 0.9039 0.0384 1.2181 0.042 Uiso 1 1 calc R . .
H10B H 0.9096 -0.0297 1.2921 0.042 Uiso 1 1 calc R . .
C11 C 0.92748(12) -0.0900(5) 1.1945(3) 0.0323(13) Uani 1 1 d DU . .
H11A H 0.9270 -0.1621 1.2109 0.039 Uiso 1 1 calc R . .
H11B H 0.9459 -0.0619 1.2091 0.039 Uiso 1 1 calc R . .
C12 C 0.92474(12) -0.0859(4) 1.1079(3) 0.0274(12) Uani 1 1 d DU . .
H12A H 0.9060 -0.1116 1.0935 0.033 Uiso 1 1 calc R . .
H12B H 0.9388 -0.1321 1.0853 0.033 Uiso 1 1 calc R . .
C13 C 0.92864(13) 0.0202(4) 1.0740(3) 0.0264(12) Uani 1 1 d DU . .
H13A H 0.9137 0.0655 1.0935 0.032 Uiso 1 1 calc R . .
H13B H 0.9468 0.0481 1.0911 0.032 Uiso 1 1 calc R . .
C14 C 0.92779(11) 0.0204(4) 0.9876(3) 0.0246(12) Uani 1 1 d DU . .
H14A H 0.9096 -0.0079 0.9706 0.030 Uiso 1 1 calc R . .
H14B H 0.9428 -0.0247 0.9682 0.030 Uiso 1 1 calc R . .
C15 C 0.72193(12) 0.0456(5) 0.9089(4) 0.0401(16) Uani 1 1 d DU . .
H15A H 0.7399 0.0752 0.9260 0.048 Uiso 1 1 calc R . .
H15B H 0.7237 0.0288 0.8541 0.048 Uiso 1 1 calc R . .
C16 C 0.69863(12) 0.1241(5) 0.9192(5) 0.0499(17) Uani 1 1 d DU . .
H16A H 0.6824 0.1050 0.8871 0.060 Uiso 1 1 calc R . .
H16B H 0.6924 0.1239 0.9730 0.060 Uiso 1 1 calc R . .
C17 C 0.70826(15) 0.2300(5) 0.8978(4) 0.0523(17) Uani 1 1 d DU . .
H17A H 0.6917 0.2730 0.8874 0.063 Uiso 1 1 calc R . .
H17B H 0.7195 0.2264 0.8506 0.063 Uiso 1 1 calc R . .
C18 C 0.72585(14) 0.2797(5) 0.9612(5) 0.0575(17) Uani 1 1 d DU . .
H18A H 0.7138 0.2928 1.0059 0.069 Uiso 1 1 calc R . .
H18B H 0.7408 0.2321 0.9771 0.069 Uiso 1 1 calc R . .
C19 C 0.73901(15) 0.3785(5) 0.9357(4) 0.059(2) Uani 1 1 d DU . .
H19A H 0.7518 0.3646 0.8926 0.070 Uiso 1 1 calc R . .
H19B H 0.7241 0.4246 0.9172 0.070 Uiso 1 1 calc R . .
C20 C 0.75516(17) 0.4310(5) 0.9983(6) 0.079(2) Uani 1 1 d DU . .
H20A H 0.7707 0.3861 1.0142 0.095 Uiso 1 1 calc R . .
H20B H 0.7426 0.4396 1.0427 0.095 Uiso 1 1 calc R . .
C21 C 0.76740(17) 0.5353(6) 0.9775(6) 0.093(3) Uani 1 1 d DU . .
H21A H 0.7518 0.5818 0.9643 0.112 Uiso 1 1 calc R . .
H21B H 0.7769 0.5636 1.0228 0.112 Uiso 1 1 calc R . .
C22 C 0.78773(18) 0.5331(7) 0.9125(7) 0.110(3) Uani 1 1 d DU . .
H22A H 0.7956 0.6011 0.9014 0.132 Uiso 1 1 calc R . .
H22B H 0.7794 0.5040 0.8657 0.132 Uiso 1 1 calc R . .
C23 C 0.8100(2) 0.4594(8) 0.9502(9) 0.141(3) Uani 1 1 d DU . .
H23A H 0.8160 0.4848 1.0007 0.169 Uiso 1 1 calc R . .
H23B H 0.8024 0.3898 0.9559 0.169 Uiso 1 1 calc R . .
C24 C 0.8326(2) 0.4617(9) 0.8968(8) 0.132(3) Uani 1 1 d DU . .
H24A H 0.8426 0.5270 0.9031 0.158 Uiso 1 1 calc R . .
H24B H 0.8245 0.4610 0.8449 0.158 Uiso 1 1 calc R . .
C25 C 0.85414(19) 0.3750(8) 0.9024(6) 0.103(3) Uani 1 1 d DU . .
H25A H 0.8441 0.3102 0.9111 0.123 Uiso 1 1 calc R . .
H25B H 0.8642 0.3694 0.8533 0.123 Uiso 1 1 calc R . .
C26 C 0.87480(15) 0.3897(6) 0.9640(6) 0.077(2) Uani 1 1 d DU . .
H26A H 0.8665 0.3692 1.0133 0.093 Uiso 1 1 calc R . .
H26B H 0.8800 0.4624 0.9673 0.093 Uiso 1 1 calc R . .
C27 C 0.90088(13) 0.3254(4) 0.9474(5) 0.0540(17) Uani 1 1 d DU . .
H27A H 0.9066 0.3384 0.8941 0.065 Uiso 1 1 calc R . .
H27B H 0.9162 0.3502 0.9806 0.065 Uiso 1 1 calc R . .
C28 C 0.89861(11) 0.2108(4) 0.9581(4) 0.0323(12) Uani 1 1 d DU . .
H28A H 0.8851 0.1831 0.9207 0.039 Uiso 1 1 calc R . .
H28B H 0.8913 0.1963 1.0098 0.039 Uiso 1 1 calc R . .
C29 C 0.74373(13) -0.1556(5) 0.9374(5) 0.0549(19) Uani 1 1 d DU . .
H29A H 0.7611 -0.1145 0.9367 0.066 Uiso 1 1 calc R . .
H29B H 0.7457 -0.2052 0.9795 0.066 Uiso 1 1 calc R . .
C30 C 0.74287(17) -0.2167(6) 0.8624(4) 0.0634(19) Uani 1 1 d DU . .
H30A H 0.7591 -0.2632 0.8615 0.076 Uiso 1 1 calc R . .
H30B H 0.7258 -0.2592 0.8625 0.076 Uiso 1 1 calc R . .
C31 C 0.7432(2) -0.1551(6) 0.7905(5) 0.076(2) Uani 1 1 d DU . .
H31A H 0.7580 -0.1029 0.7944 0.091 Uiso 1 1 calc R . .
H31B H 0.7250 -0.1193 0.7855 0.091 Uiso 1 1 calc R . .
C32 C 0.74818(19) -0.2186(7) 0.7183(5) 0.089(2) Uani 1 1 d DU . .
H32A H 0.7325 -0.2676 0.7152 0.107 Uiso 1 1 calc R . .
H32B H 0.7460 -0.1716 0.6747 0.107 Uiso 1 1 calc R . .
C33 C 0.77453(18) -0.2786(7) 0.7036(8) 0.101(3) Uani 1 1 d DU . .
H33A H 0.7782 -0.3241 0.7473 0.121 Uiso 1 1 calc R . .
H33B H 0.7720 -0.3213 0.6577 0.121 Uiso 1 1 calc R . .
C34 C 0.79831(17) -0.2109(7) 0.6925(7) 0.101(3) Uani 1 1 d DU . .
H34A H 0.8014 -0.1741 0.7409 0.121 Uiso 1 1 calc R . .
H34B H 0.7929 -0.1597 0.6540 0.121 Uiso 1 1 calc R . .
C35 C 0.82707(15) -0.2571(6) 0.6672(5) 0.076(2) Uani 1 1 d DU . .
H35A H 0.8302 -0.3239 0.6918 0.091 Uiso 1 1 calc R . .
H35B H 0.8276 -0.2664 0.6113 0.091 Uiso 1 1 calc R . .
C36 C 0.84948(12) -0.1805(5) 0.6925(4) 0.0459(16) Uani 1 1 d DU . .
H36A H 0.8436 -0.1117 0.6764 0.055 Uiso 1 1 calc R . .
H36B H 0.8504 -0.1806 0.7489 0.055 Uiso 1 1 calc R . .
C37 C 0.87881(11) -0.2003(5) 0.6616(3) 0.0322(13) Uani 1 1 d DU . .
H37A H 0.8839 -0.2720 0.6717 0.039 Uiso 1 1 calc R . .
H37B H 0.8787 -0.1902 0.6057 0.039 Uiso 1 1 calc R . .
C38 C 0.90080(12) -0.1309(4) 0.6970(3) 0.0296(13) Uani 1 1 d DU . .
H38A H 0.9005 -0.1403 0.7529 0.036 Uiso 1 1 calc R . .
H38B H 0.9195 -0.1523 0.6786 0.036 Uiso 1 1 calc R . .
C39 C 0.89704(13) -0.0186(4) 0.6797(3) 0.0287(13) Uani 1 1 d DU . .
H39A H 0.8781 0.0026 0.6959 0.034 Uiso 1 1 calc R . .
H39B H 0.8984 -0.0080 0.6240 0.034 Uiso 1 1 calc R . .
C40 C 0.91860(11) 0.0484(4) 0.7194(3) 0.0238(12) Uani 1 1 d DU . .
H40A H 0.9182 0.1168 0.6960 0.029 Uiso 1 1 calc R . .
H40B H 0.9375 0.0194 0.7108 0.029 Uiso 1 1 calc R . .
C41 C 0.91378(12) 0.0590(4) 0.8051(3) 0.0261(12) Uani 1 1 d DU . .
H41A H 0.9141 -0.0094 0.8287 0.031 Uiso 1 1 calc R . .
H41B H 0.8950 0.0885 0.8140 0.031 Uiso 1 1 calc R . .
C42 C 0.93578(11) 0.1260(4) 0.8437(3) 0.0245(12) Uani 1 1 d DU . .
H42A H 0.9356 0.1931 0.8182 0.029 Uiso 1 1 calc R . .
H42B H 0.9544 0.0953 0.8343 0.029 Uiso 1 1 calc R . .
C43 C 0.63062(10) -0.1893(3) 0.9467(3) 0.0169(11) Uani 1 1 d . . .
C44 C 0.62046(9) -0.2596(4) 1.0010(4) 0.0217(10) Uani 1 1 d . . .
C45 C 0.59396(11) -0.3016(4) 0.9920(4) 0.0273(12) Uani 1 1 d . . .
H45A H 0.5872 -0.3493 1.0283 0.033 Uiso 1 1 calc R . .
C46 C 0.57746(12) -0.2751(4) 0.9314(3) 0.0276(14) Uani 1 1 d . . .
H46A H 0.5596 -0.3058 0.9253 0.033 Uiso 1 1 calc R . .
C47 C 0.58657(11) -0.2046(4) 0.8796(3) 0.0232(13) Uani 1 1 d . . .
H47A H 0.5748 -0.1855 0.8383 0.028 Uiso 1 1 calc R . .
C48 C 0.61271(11) -0.1611(4) 0.8871(3) 0.0178(12) Uani 1 1 d . . .
C49 C 0.63844(11) -0.2868(4) 1.0676(3) 0.0213(12) Uani 1 1 d . . .
C50 C 0.65709(12) -0.3683(5) 1.0628(3) 0.0273(13) Uani 1 1 d . . .
C51 C 0.67498(12) -0.3890(5) 1.1242(3) 0.0327(15) Uani 1 1 d . . .
H51A H 0.6877 -0.4442 1.1206 0.039 Uiso 1 1 calc R . .
C52 C 0.67447(13) -0.3304(5) 1.1902(3) 0.0326(15) Uani 1 1 d . . .
C53 C 0.65582(14) -0.2506(5) 1.1935(3) 0.0354(15) Uani 1 1 d . . .
H53A H 0.6554 -0.2100 1.2382 0.042 Uiso 1 1 calc R . .
C54 C 0.63753(13) -0.2267(5) 1.1341(3) 0.0282(14) Uani 1 1 d . . .
C55 C 0.65999(12) -0.4297(4) 0.9894(4) 0.0313(14) Uani 1 1 d . . .
H55A H 0.6443 -0.4093 0.9550 0.038 Uiso 1 1 calc R . .
C56 C 0.68720(14) -0.4022(5) 0.9496(5) 0.054(2) Uani 1 1 d . . .
H56A H 0.6880 -0.3285 0.9420 0.080 Uiso 1 1 calc R . .
H56B H 0.6880 -0.4365 0.9001 0.080 Uiso 1 1 calc R . .
H56C H 0.7031 -0.4239 0.9809 0.080 Uiso 1 1 calc R . .
C57 C 0.65775(13) -0.5440(4) 1.0020(4) 0.0420(15) Uani 1 1 d . . .
H57A H 0.6400 -0.5596 1.0274 0.063 Uiso 1 1 calc R . .
H57B H 0.6733 -0.5669 1.0339 0.063 Uiso 1 1 calc R . .
H57C H 0.6585 -0.5790 0.9528 0.063 Uiso 1 1 calc R . .
C58 C 0.69378(14) -0.3528(6) 1.2573(4) 0.0433(17) Uani 1 1 d . . .
H58A H 0.6950 -0.2896 1.2888 0.052 Uiso 1 1 calc R . .
C59 C 0.72333(16) -0.3810(7) 1.2330(5) 0.065(2) Uani 1 1 d . . .
H59A H 0.7314 -0.3256 1.2028 0.097 Uiso 1 1 calc R . .
H59B H 0.7228 -0.4432 1.2023 0.097 Uiso 1 1 calc R . .
H59C H 0.7349 -0.3925 1.2783 0.097 Uiso 1 1 calc R . .
C60 C 0.68115(17) -0.4356(6) 1.3068(4) 0.055(2) Uani 1 1 d . . .
H60A H 0.6935 -0.4489 1.3502 0.083 Uiso 1 1 calc R . .
H60B H 0.6790 -0.4979 1.2768 0.083 Uiso 1 1 calc R . .
H60C H 0.6628 -0.4135 1.3255 0.083 Uiso 1 1 calc R . .
C61 C 0.61889(14) -0.1349(5) 1.1405(3) 0.0325(15) Uani 1 1 d . . .
H61A H 0.6084 -0.1279 1.0915 0.039 Uiso 1 1 calc R . .
C62 C 0.63585(16) -0.0379(5) 1.1522(4) 0.0474(19) Uani 1 1 d . . .
H62A H 0.6231 0.0202 1.1564 0.071 Uiso 1 1 calc R . .
H62B H 0.6484 -0.0279 1.1087 0.071 Uiso 1 1 calc R . .
H62C H 0.6469 -0.0439 1.1990 0.071 Uiso 1 1 calc R . .
C63 C 0.59738(14) -0.1485(5) 1.2049(4) 0.0375(15) Uani 1 1 d . . .
H63A H 0.5854 -0.0881 1.2078 0.056 Uiso 1 1 calc R . .
H63B H 0.6072 -0.1577 1.2534 0.056 Uiso 1 1 calc R . .
H63C H 0.5858 -0.2084 1.1945 0.056 Uiso 1 1 calc R . .
C64 C 0.62280(11) -0.0825(4) 0.8317(3) 0.0180(12) Uani 1 1 d . . .
C65 C 0.61961(11) 0.0218(4) 0.8489(3) 0.0206(12) Uani 1 1 d . . .
C66 C 0.63119(11) 0.0927(4) 0.7994(3) 0.0235(13) Uani 1 1 d . . .
H66A H 0.6293 0.1629 0.8108 0.028 Uiso 1 1 calc R . .
C67 C 0.64545(11) 0.0646(4) 0.7338(3) 0.0235(13) Uani 1 1 d . . .
C68 C 0.64775(12) -0.0375(4) 0.7173(3) 0.0225(13) Uani 1 1 d . . .
H68A H 0.6570 -0.0572 0.6718 0.027 Uiso 1 1 calc R . .
C69 C 0.63704(11) -0.1128(4) 0.7645(3) 0.0200(12) Uani 1 1 d . . .
C70 C 0.60359(12) 0.0563(4) 0.9185(3) 0.0241(13) Uani 1 1 d . . .
H70A H 0.5994 -0.0054 0.9496 0.029 Uiso 1 1 calc R . .
C71 C 0.57586(13) 0.1040(5) 0.8960(4) 0.0386(16) Uani 1 1 d . . .
H71A H 0.5659 0.1264 0.9419 0.058 Uiso 1 1 calc R . .
H71B H 0.5645 0.0538 0.8689 0.058 Uiso 1 1 calc R . .
H71C H 0.5793 0.1625 0.8628 0.058 Uiso 1 1 calc R . .
C72 C 0.62033(13) 0.1287(5) 0.9682(4) 0.0424(17) Uani 1 1 d . . .
H72A H 0.6381 0.0966 0.9826 0.064 Uiso 1 1 calc R . .
H72B H 0.6096 0.1447 1.0142 0.064 Uiso 1 1 calc R . .
H72C H 0.6241 0.1914 0.9399 0.064 Uiso 1 1 calc R . .
C73 C 0.65816(13) 0.1451(5) 0.6815(3) 0.0313(14) Uani 1 1 d . . .
H73A H 0.6578 0.2110 0.7099 0.038 Uiso 1 1 calc R . .
C74 C 0.64020(16) 0.1590(6) 0.6102(4) 0.054(2) Uani 1 1 d . . .
H74A H 0.6485 0.2114 0.5777 0.082 Uiso 1 1 calc R . .
H74B H 0.6213 0.1798 0.6251 0.082 Uiso 1 1 calc R . .
H74C H 0.6393 0.0946 0.5822 0.082 Uiso 1 1 calc R . .
C75 C 0.68818(14) 0.1226(6) 0.6628(4) 0.0502(19) Uani 1 1 d . . .
H75A H 0.6957 0.1766 0.6303 0.075 Uiso 1 1 calc R . .
H75B H 0.6894 0.0574 0.6361 0.075 Uiso 1 1 calc R . .
H75C H 0.6991 0.1191 0.7100 0.075 Uiso 1 1 calc R . .
C76 C 0.64161(12) -0.2233(4) 0.7451(3) 0.0261(13) Uani 1 1 d . . .
H76A H 0.6336 -0.2646 0.7876 0.031 Uiso 1 1 calc R . .
C77 C 0.67235(14) -0.2479(5) 0.7404(5) 0.0504(19) Uani 1 1 d . . .
H77A H 0.6817 -0.2256 0.7873 0.076 Uiso 1 1 calc R . .
H77B H 0.6806 -0.2127 0.6967 0.076 Uiso 1 1 calc R . .
H77C H 0.6748 -0.3214 0.7344 0.076 Uiso 1 1 calc R . .
C78 C 0.62650(16) -0.2540(5) 0.6724(4) 0.0456(18) Uani 1 1 d . . .
H78A H 0.6301 -0.3259 0.6618 0.068 Uiso 1 1 calc R . .
H78B H 0.6333 -0.2126 0.6299 0.068 Uiso 1 1 calc R . .
H78C H 0.6063 -0.2433 0.6787 0.068 Uiso 1 1 calc R . .
C79 C 0.99942(10) 0.3255(4) 1.0446(3) 0.0151(11) Uani 1 1 d . . .
C80 C 1.00002(12) 0.4321(4) 1.0384(3) 0.0198(12) Uani 1 1 d . . .
C81 C 1.02278(11) 0.4861(4) 1.0644(3) 0.0182(12) Uani 1 1 d . . .
H81A H 1.0231 0.5580 1.0592 0.022 Uiso 1 1 calc R . .
C82 C 1.04525(12) 0.4370(4) 1.0981(3) 0.0245(13) Uani 1 1 d . . .
H82A H 1.0610 0.4748 1.1150 0.029 Uiso 1 1 calc R . .
C83 C 1.04456(11) 0.3322(4) 1.1069(3) 0.0204(12) Uani 1 1 d . . .
H83A H 1.0596 0.2983 1.1313 0.024 Uiso 1 1 calc R . .
C84 C 1.02182(11) 0.2766(4) 1.0800(3) 0.0163(11) Uani 1 1 d . . .
C85 C 1.02047(10) 0.1630(4) 1.0891(3) 0.0140(11) Uani 1 1 d . . .
C86 C 1.02792(12) 0.0984(4) 1.0274(3) 0.0185(13) Uani 1 1 d . . .
C87 C 1.02285(11) -0.0047(4) 1.0327(3) 0.0215(12) Uani 1 1 d . . .
H87A H 1.0282 -0.0474 0.9916 0.026 Uiso 1 1 calc R . .
C88 C 1.01030(12) -0.0479(4) 1.0959(3) 0.0208(12) Uani 1 1 d . . .
C89 C 1.00423(11) 0.0154(4) 1.1572(3) 0.0194(12) Uani 1 1 d . . .
H89A H 0.9965 -0.0136 1.2022 0.023 Uiso 1 1 calc R . .
C90 C 1.00902(11) 0.1198(4) 1.1551(3) 0.0191(12) Uani 1 1 d . . .
C91 C 1.04200(11) 0.1420(4) 0.9571(4) 0.0255(11) Uani 1 1 d . . .
H91A H 1.0410 0.2177 0.9607 0.031 Uiso 1 1 calc R . .
C92 C 1.02749(15) 0.1101(6) 0.8833(4) 0.0406(17) Uani 1 1 d . . .
H92A H 1.0375 0.1395 0.8397 0.061 Uiso 1 1 calc R . .
H92B H 1.0081 0.1346 0.8836 0.061 Uiso 1 1 calc R . .
H92C H 1.0276 0.0358 0.8791 0.061 Uiso 1 1 calc R . .
C93 C 1.07293(11) 0.1123(5) 0.9558(5) 0.0391(14) Uani 1 1 d . . .
H93A H 1.0818 0.1401 0.9099 0.059 Uiso 1 1 calc R . .
H93B H 1.0746 0.0381 0.9556 0.059 Uiso 1 1 calc R . .
H93C H 1.0823 0.1397 1.0011 0.059 Uiso 1 1 calc R . .
C94 C 1.00310(12) -0.1620(4) 1.1010(3) 0.0220(12) Uani 1 1 d . . .
H94A H 0.9863 -0.1681 1.1345 0.026 Uiso 1 1 calc R . .
C95 C 1.02649(13) -0.2214(4) 1.1391(4) 0.0317(15) Uani 1 1 d . . .
H95A H 1.0212 -0.2933 1.1424 0.048 Uiso 1 1 calc R . .
H95B H 1.0297 -0.1945 1.1904 0.048 Uiso 1 1 calc R . .
H95C H 1.0437 -0.2148 1.1091 0.048 Uiso 1 1 calc R . .
C96 C 0.99538(13) -0.2081(4) 1.0249(3) 0.0277(14) Uani 1 1 d . . .
H96A H 0.9907 -0.2800 1.0318 0.041 Uiso 1 1 calc R . .
H96B H 1.0113 -0.2022 0.9898 0.041 Uiso 1 1 calc R . .
H96C H 0.9792 -0.1720 1.0036 0.041 Uiso 1 1 calc R . .
C97 C 1.00112(11) 0.1840(4) 1.2230(3) 0.0206(12) Uani 1 1 d . . .
H97A H 1.0057 0.2561 1.2102 0.025 Uiso 1 1 calc R . .
C98 C 1.01788(15) 0.1561(5) 1.2939(3) 0.0402(17) Uani 1 1 d . . .
H98A H 1.0122 0.1998 1.3364 0.060 Uiso 1 1 calc R . .
H98B H 1.0379 0.1658 1.2839 0.060 Uiso 1 1 calc R . .
H98C H 1.0144 0.0849 1.3071 0.060 Uiso 1 1 calc R . .
C99 C 0.96965(13) 0.1795(5) 1.2403(4) 0.0403(16) Uani 1 1 d . . .
H99A H 0.9591 0.1984 1.1946 0.060 Uiso 1 1 calc R . .
H99B H 0.9652 0.2270 1.2816 0.060 Uiso 1 1 calc R . .
H99C H 0.9646 0.1104 1.2557 0.060 Uiso 1 1 calc R . .
C100 C 0.97642(10) 0.4873(3) 1.0027(4) 0.0197(11) Uani 1 1 d . . .
C101 C 0.97447(11) 0.5029(4) 0.9234(3) 0.0177(12) Uani 1 1 d . . .
C102 C 0.95189(11) 0.5547(4) 0.8923(3) 0.0202(12) Uani 1 1 d . . .
H10C H 0.9513 0.5642 0.8387 0.024 Uiso 1 1 calc R . .
C103 C 0.93026(11) 0.5928(4) 0.9353(3) 0.0211(13) Uani 1 1 d . . .
C104 C 0.93205(11) 0.5777(4) 1.0147(3) 0.0186(12) Uani 1 1 d . . .
H10D H 0.9175 0.6030 1.0461 0.022 Uiso 1 1 calc R . .
C105 C 0.95424(11) 0.5274(4) 1.0484(3) 0.0175(12) Uani 1 1 d . . .
C106 C 0.99738(12) 0.4662(4) 0.8700(3) 0.0208(13) Uani 1 1 d . . .
H10E H 1.0117 0.4304 0.9015 0.025 Uiso 1 1 calc R . .
C107 C 0.98624(14) 0.3902(5) 0.8117(3) 0.0364(15) Uani 1 1 d . . .
H10F H 0.9774 0.3332 0.8383 0.055 Uiso 1 1 calc R . .
H10G H 1.0018 0.3648 0.7805 0.055 Uiso 1 1 calc R . .
H10H H 0.9725 0.4237 0.7789 0.055 Uiso 1 1 calc R . .
C108 C 1.01175(13) 0.5562(5) 0.8316(3) 0.0324(15) Uani 1 1 d . . .
H10I H 1.0188 0.6028 0.8706 0.049 Uiso 1 1 calc R . .
H10J H 0.9983 0.5919 0.7992 0.049 Uiso 1 1 calc R . .
H10K H 1.0274 0.5316 0.8005 0.049 Uiso 1 1 calc R . .
C109 C 0.90570(12) 0.6526(4) 0.9043(3) 0.0250(13) Uani 1 1 d . . .
H10L H 0.8889 0.6343 0.9352 0.030 Uiso 1 1 calc R . .
C110 C 0.89911(15) 0.6278(5) 0.8208(4) 0.0465(18) Uani 1 1 d . . .
H11C H 0.8958 0.5546 0.8155 0.070 Uiso 1 1 calc R . .
H11D H 0.9150 0.6477 0.7887 0.070 Uiso 1 1 calc R . .
H11E H 0.8824 0.6651 0.8049 0.070 Uiso 1 1 calc R . .
C111 C 0.91069(13) 0.7668(4) 0.9136(4) 0.0337(14) Uani 1 1 d . . .
H11F H 0.9147 0.7820 0.9671 0.050 Uiso 1 1 calc R . .
H11G H 0.8939 0.8040 0.8975 0.050 Uiso 1 1 calc R . .
H11H H 0.9266 0.7874 0.8820 0.050 Uiso 1 1 calc R . .
C112 C 0.95410(11) 0.5133(4) 1.1347(3) 0.0191(12) Uani 1 1 d . . .
H11I H 0.9730 0.4883 1.1507 0.023 Uiso 1 1 calc R . .
C113 C 0.94818(13) 0.6132(4) 1.1765(3) 0.0293(14) Uani 1 1 d . . .
H11J H 0.9621 0.6641 1.1617 0.044 Uiso 1 1 calc R . .
H11K H 0.9492 0.6018 1.2316 0.044 Uiso 1 1 calc R . .
H11L H 0.9295 0.6376 1.1630 0.044 Uiso 1 1 calc R . .
C114 C 0.93235(13) 0.4342(5) 1.1581(3) 0.0319(15) Uani 1 1 d . . .
H11M H 0.9361 0.3702 1.1315 0.048 Uiso 1 1 calc R . .
H11N H 0.9136 0.4586 1.1446 0.048 Uiso 1 1 calc R . .
H11O H 0.9334 0.4230 1.2132 0.048 Uiso 1 1 calc R . .
C51E C 0.82487(14) -0.1839(5) 0.9441(5) 0.0503(18) Uani 1 1 d . . .
H51B H 0.8397 -0.2323 0.9310 0.075 Uiso 1 1 calc R . .
H51C H 0.8137 -0.1688 0.8986 0.075 Uiso 1 1 calc R . .
H51D H 0.8128 -0.2135 0.9834 0.075 Uiso 1 1 calc R . .
C52E C 0.83788(13) -0.0864(5) 0.9740(4) 0.046(2) Uani 1 1 d . . .
H52A H 0.8492 -0.1007 1.0199 0.055 Uiso 1 1 calc R . .
H52B H 0.8502 -0.0559 0.9348 0.055 Uiso 1 1 calc R . .
O50E O 0.81586(8) -0.0188(3) 0.9921(3) 0.0423(10) Uani 1 1 d . . .
C53E C 0.82636(15) 0.0774(6) 1.0170(4) 0.056(2) Uani 1 1 d . . .
H53B H 0.8392 0.1056 0.9782 0.067 Uiso 1 1 calc R . .
H53C H 0.8369 0.0689 1.0651 0.067 Uiso 1 1 calc R . .
C54E C 0.80220(19) 0.1492(6) 1.0294(5) 0.071(3) Uani 1 1 d . . .
H54A H 0.8093 0.2153 1.0463 0.107 Uiso 1 1 calc R . .
H54B H 0.7897 0.1213 1.0683 0.107 Uiso 1 1 calc R . .
H54C H 0.7919 0.1577 0.9815 0.107 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 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'
P P 0.2955 0.4335 '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'
O O 0.0492 0.0322 '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
C43 Au1 P1 178.97(15) . .
C79 Au2 P2 178.81(15) . .
C29 P1 C15 104.9(3) . .
C29 P1 C1 102.4(4) . .
C15 P1 C1 101.8(3) . .
C29 P1 Au1 117.9(2) . .
C15 P1 Au1 115.3(2) . .
C1 P1 Au1 112.6(2) . .
C28 P2 C42 105.4(3) . .
C28 P2 C14 105.6(3) . .
C42 P2 C14 105.3(3) . .
C28 P2 Au2 110.79(19) . .
C42 P2 Au2 114.55(17) . .
C14 P2 Au2 114.42(18) . .
C2 C1 P1 114.2(4) . .
C2 C1 H1A 108.7 . .
P1 C1 H1A 108.7 . .
C2 C1 H1B 108.7 . .
P1 C1 H1B 108.7 . .
H1A C1 H1B 107.6 . .
C1 C2 C3 110.7(6) . .
C1 C2 H2A 109.5 . .
C3 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
C3 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
C4 C3 C2 116.8(7) . .
C4 C3 H3A 108.1 . .
C2 C3 H3A 108.1 . .
C4 C3 H3B 108.1 . .
C2 C3 H3B 108.1 . .
H3A C3 H3B 107.3 . .
C5 C4 C3 117.8(7) . .
C5 C4 H4A 107.9 . .
C3 C4 H4A 107.9 . .
C5 C4 H4B 107.9 . .
C3 C4 H4B 107.9 . .
H4A C4 H4B 107.2 . .
C4 C5 C6 116.6(8) . .
C4 C5 H5A 108.1 . .
C6 C5 H5A 108.1 . .
C4 C5 H5B 108.1 . .
C6 C5 H5B 108.1 . .
H5A C5 H5B 107.3 . .
C7 C6 C5 114.7(7) . .
C7 C6 H6A 108.6 . .
C5 C6 H6A 108.6 . .
C7 C6 H6B 108.6 . .
C5 C6 H6B 108.6 . .
H6A C6 H6B 107.6 . .
C6 C7 C8 112.4(7) . .
C6 C7 H7A 109.1 . .
C8 C7 H7A 109.1 . .
C6 C7 H7B 109.1 . .
C8 C7 H7B 109.1 . .
H7A C7 H7B 107.8 . .
C7 C8 C9 114.6(7) . .
C7 C8 H8A 108.6 . .
C9 C8 H8A 108.6 . .
C7 C8 H8B 108.6 . .
C9 C8 H8B 108.6 . .
H8A C8 H8B 107.6 . .
C8 C9 C10 112.7(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 111.3(5) . .
C11 C10 H10A 109.4 . .
C9 C10 H10A 109.4 . .
C11 C10 H10B 109.4 . .
C9 C10 H10B 109.4 . .
H10A C10 H10B 108.0 . .
C10 C11 C12 114.4(5) . .
C10 C11 H11A 108.7 . .
C12 C11 H11A 108.7 . .
C10 C11 H11B 108.7 . .
C12 C11 H11B 108.7 . .
H11A C11 H11B 107.6 . .
C11 C12 C13 114.2(5) . .
C11 C12 H12A 108.7 . .
C13 C12 H12A 108.7 . .
C11 C12 H12B 108.7 . .
C13 C12 H12B 108.7 . .
H12A C12 H12B 107.6 . .
C14 C13 C12 112.8(4) . .
C14 C13 H13A 109.0 . .
C12 C13 H13A 109.0 . .
C14 C13 H13B 109.0 . .
C12 C13 H13B 109.0 . .
H13A C13 H13B 107.8 . .
C13 C14 P2 113.3(4) . .
C13 C14 H14A 108.9 . .
P2 C14 H14A 108.9 . .
C13 C14 H14B 108.9 . .
P2 C14 H14B 108.9 . .
H14A C14 H14B 107.7 . .
C16 C15 P1 112.0(4) . .
C16 C15 H15A 109.2 . .
P1 C15 H15A 109.2 . .
C16 C15 H15B 109.2 . .
P1 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C17 C16 C15 111.7(5) . .
C17 C16 H16A 109.3 . .
C15 C16 H16A 109.3 . .
C17 C16 H16B 109.3 . .
C15 C16 H16B 109.3 . .
H16A C16 H16B 107.9 . .
C16 C17 C18 112.2(6) . .
C16 C17 H17A 109.2 . .
C18 C17 H17A 109.2 . .
C16 C17 H17B 109.2 . .
C18 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C19 C18 C17 112.3(6) . .
C19 C18 H18A 109.1 . .
C17 C18 H18A 109.1 . .
C19 C18 H18B 109.1 . .
C17 C18 H18B 109.1 . .
H18A C18 H18B 107.9 . .
C20 C19 C18 113.1(6) . .
C20 C19 H19A 109.0 . .
C18 C19 H19A 109.0 . .
C20 C19 H19B 109.0 . .
C18 C19 H19B 109.0 . .
H19A C19 H19B 107.8 . .
C19 C20 C21 115.6(7) . .
C19 C20 H20A 108.4 . .
C21 C20 H20A 108.4 . .
C19 C20 H20B 108.4 . .
C21 C20 H20B 108.4 . .
H20A C20 H20B 107.5 . .
C22 C21 C20 114.2(8) . .
C22 C21 H21A 108.7 . .
C20 C21 H21A 108.7 . .
C22 C21 H21B 108.7 . .
C20 C21 H21B 108.7 . .
H21A C21 H21B 107.6 . .
C21 C22 C23 97.4(8) . .
C21 C22 H22A 112.3 . .
C23 C22 H22A 112.3 . .
C21 C22 H22B 112.3 . .
C23 C22 H22B 112.3 . .
H22A C22 H22B 109.9 . .
C24 C23 C22 102.7(9) . .
C24 C23 H23A 111.2 . .
C22 C23 H23A 111.2 . .
C24 C23 H23B 111.2 . .
C22 C23 H23B 111.2 . .
H23A C23 H23B 109.1 . .
C23 C24 C25 116.6(10) . .
C23 C24 H24A 108.1 . .
C25 C24 H24A 108.1 . .
C23 C24 H24B 108.1 . .
C25 C24 H24B 108.1 . .
H24A C24 H24B 107.3 . .
C26 C25 C24 113.4(9) . .
C26 C25 H25A 108.9 . .
C24 C25 H25A 108.9 . .
C26 C25 H25B 108.9 . .
C24 C25 H25B 108.9 . .
H25A C25 H25B 107.7 . .
C25 C26 C27 109.4(7) . .
C25 C26 H26A 109.8 . .
C27 C26 H26A 109.8 . .
C25 C26 H26B 109.8 . .
C27 C26 H26B 109.8 . .
H26A C26 H26B 108.2 . .
C28 C27 C26 117.7(6) . .
C28 C27 H27A 107.9 . .
C26 C27 H27A 107.9 . .
C28 C27 H27B 107.9 . .
C26 C27 H27B 107.9 . .
H27A C27 H27B 107.2 . .
C27 C28 P2 112.1(4) . .
C27 C28 H28A 109.2 . .
P2 C28 H28A 109.2 . .
C27 C28 H28B 109.2 . .
P2 C28 H28B 109.2 . .
H28A C28 H28B 107.9 . .
C30 C29 P1 120.3(5) . .
C30 C29 H29A 107.2 . .
P1 C29 H29A 107.2 . .
C30 C29 H29B 107.2 . .
P1 C29 H29B 107.2 . .
H29A C29 H29B 106.9 . .
C31 C30 C29 115.9(7) . .
C31 C30 H30A 108.3 . .
C29 C30 H30A 108.3 . .
C31 C30 H30B 108.3 . .
C29 C30 H30B 108.3 . .
H30A C30 H30B 107.4 . .
C30 C31 C32 113.7(7) . .
C30 C31 H31A 108.8 . .
C32 C31 H31A 108.8 . .
C30 C31 H31B 108.8 . .
C32 C31 H31B 108.8 . .
H31A C31 H31B 107.7 . .
C33 C32 C31 123.8(10) . .
C33 C32 H32A 106.4 . .
C31 C32 H32A 106.4 . .
C33 C32 H32B 106.4 . .
C31 C32 H32B 106.4 . .
H32A C32 H32B 106.4 . .
C34 C33 C32 110.8(8) . .
C34 C33 H33A 109.5 . .
C32 C33 H33A 109.5 . .
C34 C33 H33B 109.5 . .
C32 C33 H33B 109.5 . .
H33A C33 H33B 108.1 . .
C33 C34 C35 119.0(8) . .
C33 C34 H34A 107.6 . .
C35 C34 H34A 107.6 . .
C33 C34 H34B 107.6 . .
C35 C34 H34B 107.6 . .
H34A C34 H34B 107.0 . .
C36 C35 C34 105.9(7) . .
C36 C35 H35A 110.5 . .
C34 C35 H35A 110.5 . .
C36 C35 H35B 110.5 . .
C34 C35 H35B 110.5 . .
H35A C35 H35B 108.7 . .
C37 C36 C35 115.1(6) . .
C37 C36 H36A 108.5 . .
C35 C36 H36A 108.5 . .
C37 C36 H36B 108.5 . .
C35 C36 H36B 108.5 . .
H36A C36 H36B 107.5 . .
C38 C37 C36 112.7(5) . .
C38 C37 H37A 109.1 . .
C36 C37 H37A 109.1 . .
C38 C37 H37B 109.1 . .
C36 C37 H37B 109.1 . .
H37A C37 H37B 107.8 . .
C39 C38 C37 114.8(5) . .
C39 C38 H38A 108.6 . .
C37 C38 H38A 108.6 . .
C39 C38 H38B 108.6 . .
C37 C38 H38B 108.6 . .
H38A C38 H38B 107.5 . .
C38 C39 C40 113.0(5) . .
C38 C39 H39A 109.0 . .
C40 C39 H39A 109.0 . .
C38 C39 H39B 109.0 . .
C40 C39 H39B 109.0 . .
H39A C39 H39B 107.8 . .
C39 C40 C41 113.7(4) . .
C39 C40 H40A 108.8 . .
C41 C40 H40A 108.8 . .
C39 C40 H40B 108.8 . .
C41 C40 H40B 108.8 . .
H40A C40 H40B 107.7 . .
C40 C41 C42 112.6(4) . .
C40 C41 H41A 109.1 . .
C42 C41 H41A 109.1 . .
C40 C41 H41B 109.1 . .
C42 C41 H41B 109.1 . .
H41A C41 H41B 107.8 . .
C41 C42 P2 117.4(4) . .
C41 C42 H42A 108.0 . .
P2 C42 H42A 108.0 . .
C41 C42 H42B 108.0 . .
P2 C42 H42B 108.0 . .
H42A C42 H42B 107.2 . .
C48 C43 C44 117.8(5) . .
C48 C43 Au1 120.9(4) . .
C44 C43 Au1 121.3(4) . .
C45 C44 C43 119.8(6) . .
C45 C44 C49 121.2(5) . .
C43 C44 C49 119.1(4) . .
C46 C45 C44 120.7(5) . .
C46 C45 H45A 119.6 . .
C44 C45 H45A 119.6 . .
C45 C46 C47 120.4(5) . .
C45 C46 H46A 119.8 . .
C47 C46 H46A 119.8 . .
C46 C47 C48 120.3(5) . .
C46 C47 H47A 119.9 . .
C48 C47 H47A 119.9 . .
C47 C48 C43 121.0(5) . .
C47 C48 C64 121.0(5) . .
C43 C48 C64 118.0(5) . .
C50 C49 C54 120.0(5) . .
C50 C49 C44 120.2(5) . .
C54 C49 C44 119.7(5) . .
C49 C50 C51 119.5(5) . .
C49 C50 C55 121.0(5) . .
C51 C50 C55 119.4(5) . .
C52 C51 C50 121.5(6) . .
C52 C51 H51A 119.3 . .
C50 C51 H51A 119.3 . .
C53 C52 C51 117.8(5) . .
C53 C52 C58 120.4(6) . .
C51 C52 C58 121.7(6) . .
C52 C53 C54 123.1(6) . .
C52 C53 H53A 118.5 . .
C54 C53 H53A 118.5 . .
C53 C54 C49 118.2(5) . .
C53 C54 C61 119.7(6) . .
C49 C54 C61 122.0(5) . .
C56 C55 C57 111.2(5) . .
C56 C55 C50 109.9(5) . .
C57 C55 C50 113.2(5) . .
C56 C55 H55A 107.4 . .
C57 C55 H55A 107.4 . .
C50 C55 H55A 107.4 . .
C55 C56 H56A 109.5 . .
C55 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C55 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C55 C57 H57A 109.5 . .
C55 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
C55 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C60 C58 C59 110.7(6) . .
C60 C58 C52 109.9(6) . .
C59 C58 C52 113.1(6) . .
C60 C58 H58A 107.6 . .
C59 C58 H58A 107.6 . .
C52 C58 H58A 107.6 . .
C58 C59 H59A 109.5 . .
C58 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C58 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C58 C60 H60A 109.5 . .
C58 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
C58 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C54 C61 C62 111.5(6) . .
C54 C61 C63 110.9(5) . .
C62 C61 C63 110.7(5) . .
C54 C61 H61A 107.9 . .
C62 C61 H61A 107.9 . .
C63 C61 H61A 107.9 . .
C61 C62 H62A 109.5 . .
C61 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C61 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
C61 C63 H63A 109.5 . .
C61 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C61 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C65 C64 C69 120.1(5) . .
C65 C64 C48 119.8(5) . .
C69 C64 C48 119.9(5) . .
C66 C65 C64 118.4(5) . .
C66 C65 C70 120.3(5) . .
C64 C65 C70 121.2(5) . .
C67 C66 C65 122.3(5) . .
C67 C66 H66A 118.8 . .
C65 C66 H66A 118.8 . .
C68 C67 C66 118.3(5) . .
C68 C67 C73 121.1(5) . .
C66 C67 C73 120.6(5) . .
C67 C68 C69 122.6(5) . .
C67 C68 H68A 118.7 . .
C69 C68 H68A 118.7 . .
C68 C69 C64 118.2(5) . .
C68 C69 C76 119.9(5) . .
C64 C69 C76 121.9(5) . .
C65 C70 C71 110.9(5) . .
C65 C70 C72 112.7(5) . .
C71 C70 C72 110.5(5) . .
C65 C70 H70A 107.5 . .
C71 C70 H70A 107.5 . .
C72 C70 H70A 107.5 . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
C70 C72 H72A 109.5 . .
C70 C72 H72B 109.5 . .
H72A C72 H72B 109.5 . .
C70 C72 H72C 109.5 . .
H72A C72 H72C 109.5 . .
H72B C72 H72C 109.5 . .
C75 C73 C67 112.0(5) . .
C75 C73 C74 112.4(6) . .
C67 C73 C74 110.6(5) . .
C75 C73 H73A 107.2 . .
C67 C73 H73A 107.2 . .
C74 C73 H73A 107.2 . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C73 C75 H75A 109.5 . .
C73 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C73 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C77 C76 C69 111.1(5) . .
C77 C76 C78 111.1(5) . .
C69 C76 C78 112.1(5) . .
C77 C76 H76A 107.4 . .
C69 C76 H76A 107.4 . .
C78 C76 H76A 107.4 . .
C76 C77 H77A 109.5 . .
C76 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C76 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C76 C78 H78A 109.5 . .
C76 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C76 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
C84 C79 C80 118.5(5) . .
C84 C79 Au2 119.6(4) . .
C80 C79 Au2 121.8(4) . .
C81 C80 C79 120.3(5) . .
C81 C80 C100 119.3(5) . .
C79 C80 C100 120.4(5) . .
C80 C81 C82 120.9(5) . .
C80 C81 H81A 119.6 . .
C82 C81 H81A 119.6 . .
C81 C82 C83 119.5(5) . .
C81 C82 H82A 120.3 . .
C83 C82 H82A 120.3 . .
C82 C83 C84 120.2(5) . .
C82 C83 H83A 119.9 . .
C84 C83 H83A 119.9 . .
C83 C84 C79 120.6(5) . .
C83 C84 C85 121.3(5) . .
C79 C84 C85 118.2(4) . .
C90 C85 C86 119.1(5) . .
C90 C85 C84 120.5(4) . .
C86 C85 C84 120.1(4) . .
C87 C86 C85 119.4(5) . .
C87 C86 C91 120.3(5) . .
C85 C86 C91 120.3(5) . .
C86 C87 C88 122.2(5) . .
C86 C87 H87A 118.9 . .
C88 C87 H87A 118.9 . .
C87 C88 C89 117.7(5) . .
C87 C88 C94 122.8(5) . .
C89 C88 C94 119.4(5) . .
C88 C89 C90 122.3(5) . .
C88 C89 H89A 118.8 . .
C90 C89 H89A 118.8 . .
C89 C90 C85 119.1(5) . .
C89 C90 C97 119.2(5) . .
C85 C90 C97 121.6(5) . .
C86 C91 C93 110.2(5) . .
C86 C91 C92 112.7(4) . .
C93 C91 C92 110.8(6) . .
C86 C91 H91A 107.7 . .
C93 C91 H91A 107.7 . .
C92 C91 H91A 107.7 . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
C91 C93 H93A 109.5 . .
C91 C93 H93B 109.5 . .
H93A C93 H93B 109.5 . .
C91 C93 H93C 109.5 . .
H93A C93 H93C 109.5 . .
H93B C93 H93C 109.5 . .
C96 C94 C95 111.2(5) . .
C96 C94 C88 113.2(4) . .
C95 C94 C88 111.2(5) . .
C96 C94 H94A 106.9 . .
C95 C94 H94A 106.9 . .
C88 C94 H94A 106.9 . .
C94 C95 H95A 109.5 . .
C94 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C94 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
C94 C96 H96A 109.5 . .
C94 C96 H96B 109.5 . .
H96A C96 H96B 109.5 . .
C94 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
C90 C97 C98 112.3(5) . .
C90 C97 C99 112.3(5) . .
C98 C97 C99 110.1(5) . .
C90 C97 H97A 107.3 . .
C98 C97 H97A 107.3 . .
C99 C97 H97A 107.3 . .
C97 C98 H98A 109.5 . .
C97 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C97 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C97 C99 H99A 109.5 . .
C97 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C97 C99 H99C 109.5 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
C101 C100 C105 116.8(5) . .
C101 C100 C80 122.7(5) . .
C105 C100 C80 120.5(6) . .
C102 C101 C100 120.8(5) . .
C102 C101 C106 118.2(5) . .
C100 C101 C106 121.0(5) . .
C103 C102 C101 123.1(5) . .
C103 C102 H10C 118.4 . .
C101 C102 H10C 118.4 . .
C102 C103 C104 116.5(5) . .
C102 C103 C109 125.1(5) . .
C104 C103 C109 118.4(5) . .
C105 C104 C103 122.5(5) . .
C105 C104 H10D 118.8 . .
C103 C104 H10D 118.8 . .
C104 C105 C100 120.3(5) . .
C104 C105 C112 118.7(5) . .
C100 C105 C112 121.0(5) . .
C101 C106 C108 110.5(4) . .
C101 C106 C107 111.7(5) . .
C108 C106 C107 111.7(5) . .
C101 C106 H10E 107.6 . .
C108 C106 H10E 107.6 . .
C107 C106 H10E 107.6 . .
C106 C107 H10F 109.5 . .
C106 C107 H10G 109.5 . .
H10F C107 H10G 109.5 . .
C106 C107 H10H 109.5 . .
H10F C107 H10H 109.5 . .
H10G C107 H10H 109.5 . .
C106 C108 H10I 109.5 . .
C106 C108 H10J 109.5 . .
H10I C108 H10J 109.5 . .
C106 C108 H10K 109.5 . .
H10I C108 H10K 109.5 . .
H10J C108 H10K 109.5 . .
C103 C109 C111 110.6(5) . .
C103 C109 C110 113.1(5) . .
C111 C109 C110 110.0(5) . .
C103 C109 H10L 107.6 . .
C111 C109 H10L 107.6 . .
C110 C109 H10L 107.6 . .
C109 C110 H11C 109.5 . .
C109 C110 H11D 109.5 . .
H11C C110 H11D 109.5 . .
C109 C110 H11E 109.5 . .
H11C C110 H11E 109.5 . .
H11D C110 H11E 109.5 . .
C109 C111 H11F 109.5 . .
C109 C111 H11G 109.5 . .
H11F C111 H11G 109.5 . .
C109 C111 H11H 109.5 . .
H11F C111 H11H 109.5 . .
H11G C111 H11H 109.5 . .
C105 C112 C114 110.6(4) . .
C105 C112 C113 111.9(4) . .
C114 C112 C113 109.3(5) . .
C105 C112 H11I 108.3 . .
C114 C112 H11I 108.3 . .
C113 C112 H11I 108.3 . .
C112 C113 H11J 109.5 . .
C112 C113 H11K 109.5 . .
H11J C113 H11K 109.5 . .
C112 C113 H11L 109.5 . .
H11J C113 H11L 109.5 . .
H11K C113 H11L 109.5 . .
C112 C114 H11M 109.5 . .
C112 C114 H11N 109.5 . .
H11M C114 H11N 109.5 . .
C112 C114 H11O 109.5 . .
H11M C114 H11O 109.5 . .
H11N C114 H11O 109.5 . .
C52E C51E H51B 109.5 . .
C52E C51E H51C 109.5 . .
H51B C51E H51C 109.5 . .
C52E C51E H51D 109.5 . .
H51B C51E H51D 109.5 . .
H51C C51E H51D 109.5 . .
O50E C52E C51E 107.7(5) . .
O50E C52E H52A 110.2 . .
C51E C52E H52A 110.2 . .
O50E C52E H52B 110.2 . .
C51E C52E H52B 110.2 . .
H52A C52E H52B 108.5 . .
C52E O50E C53E 111.4(5) . .
O50E C53E C54E 109.3(6) . .
O50E C53E H53B 109.8 . .
C54E C53E H53B 109.8 . .
O50E C53E H53C 109.8 . .
C54E C53E H53C 109.8 . .
H53B C53E H53C 108.3 . .
C53E C54E H54A 109.5 . .
C53E C54E H54B 109.5 . .
H54A C54E H54B 109.5 . .
C53E C54E H54C 109.5 . .
H54A C54E H54C 109.5 . .
H54B C54E H54C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C43 2.058(5) .
Au1 P1 2.2805(14) .
Au2 C79 2.059(5) .
Au2 P2 2.2770(13) .
P1 C29 1.820(7) .
P1 C15 1.823(6) .
P1 C1 1.828(7) .
P2 C28 1.825(5) .
P2 C42 1.827(5) .
P2 C14 1.833(5) .
C1 C2 1.534(7) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.553(8) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.552(8) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.507(8) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.563(8) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.462(8) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 C8 1.502(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.511(7) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.533(7) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.523(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.527(6) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.531(6) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.518(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.530(7) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.515(7) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.540(8) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.511(7) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.510(8) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.536(8) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.499(9) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.584(8) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.431(9) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.540(8) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.477(8) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.534(7) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.523(7) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.544(8) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 C31 1.500(8) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.536(8) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.508(8) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.457(8) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.567(8) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.537(8) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 C37 1.526(7) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.525(6) .
C37 H37A 0.9900 .
C37 H37B 0.9900 .
C38 C39 1.519(6) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.524(6) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.528(6) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.531(6) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C48 1.403(8) .
C43 C44 1.414(8) .
C44 C45 1.391(7) .
C44 C49 1.494(8) .
C45 C46 1.370(8) .
C45 H45A 0.9500 .
C46 C47 1.371(8) .
C46 H46A 0.9500 .
C47 C48 1.380(8) .
C47 H47A 0.9500 .
C48 C64 1.499(7) .
C49 C50 1.397(8) .
C49 C54 1.411(8) .
C50 C51 1.403(8) .
C50 C55 1.527(8) .
C51 C52 1.392(9) .
C51 H51A 0.9500 .
C52 C53 1.379(9) .
C52 C58 1.525(8) .
C53 C54 1.397(8) .
C53 H53A 0.9500 .
C54 C61 1.505(9) .
C55 C56 1.521(8) .
C55 C57 1.523(8) .
C55 H55A 1.0000 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
C58 C60 1.520(10) .
C58 C59 1.521(11) .
C58 H58A 1.0000 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
C61 C62 1.525(9) .
C61 C63 1.539(9) .
C61 H61A 1.0000 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
C62 H62C 0.9800 .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 C65 1.412(8) .
C64 C69 1.420(7) .
C65 C66 1.390(8) .
C65 C70 1.512(7) .
C66 C67 1.388(8) .
C66 H66A 0.9500 .
C67 C68 1.379(8) .
C67 C73 1.528(8) .
C68 C69 1.390(8) .
C68 H68A 0.9500 .
C69 C76 1.509(8) .
C70 C71 1.518(8) .
C70 C72 1.520(8) .
C70 H70A 1.0000 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C72 H72A 0.9800 .
C72 H72B 0.9800 .
C72 H72C 0.9800 .
C73 C75 1.501(9) .
C73 C74 1.529(9) .
C73 H73A 1.0000 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C76 C77 1.507(8) .
C76 C78 1.521(8) .
C76 H76A 1.0000 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C79 C84 1.395(7) .
C79 C80 1.408(7) .
C80 C81 1.377(8) .
C80 C100 1.481(7) .
C81 C82 1.386(8) .
C81 H81A 0.9500 .
C82 C83 1.388(8) .
C82 H82A 0.9500 .
C83 C84 1.392(7) .
C83 H83A 0.9500 .
C84 C85 1.505(7) .
C85 C90 1.401(7) .
C85 C86 1.423(7) .
C86 C87 1.382(8) .
C86 C91 1.517(8) .
C87 C88 1.384(8) .
C87 H87A 0.9500 .
C88 C89 1.391(8) .
C88 C94 1.543(7) .
C89 C90 1.393(7) .
C89 H89A 0.9500 .
C90 C97 1.510(7) .
C91 C93 1.529(7) .
C91 C92 1.530(9) .
C91 H91A 1.0000 .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
C93 H93A 0.9800 .
C93 H93B 0.9800 .
C93 H93C 0.9800 .
C94 C96 1.514(7) .
C94 C95 1.520(8) .
C94 H94A 1.0000 .
C95 H95A 0.9800 .
C95 H95B 0.9800 .
C95 H95C 0.9800 .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
C97 C98 1.525(8) .
C97 C99 1.535(8) .
C97 H97A 1.0000 .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C100 C101 1.410(8) .
C100 C105 1.431(8) .
C101 C102 1.388(8) .
C101 C106 1.521(7) .
C102 C103 1.375(7) .
C102 H10C 0.9500 .
C103 C104 1.410(8) .
C103 C109 1.514(7) .
C104 C105 1.383(7) .
C104 H10D 0.9500 .
C105 C112 1.527(7) .
C106 C108 1.525(8) .
C106 C107 1.527(8) .
C106 H10E 1.0000 .
C107 H10F 0.9800 .
C107 H10G 0.9800 .
C107 H10H 0.9800 .
C108 H10I 0.9800 .
C108 H10J 0.9800 .
C108 H10K 0.9800 .
C109 C111 1.530(8) .
C109 C110 1.534(8) .
C109 H10L 1.0000 .
C110 H11C 0.9800 .
C110 H11D 0.9800 .
C110 H11E 0.9800 .
C111 H11F 0.9800 .
C111 H11G 0.9800 .
C111 H11H 0.9800 .
C112 C114 1.527(8) .
C112 C113 1.531(8) .
C112 H11I 1.0000 .
C113 H11J 0.9800 .
C113 H11K 0.9800 .
C113 H11L 0.9800 .
C114 H11M 0.9800 .
C114 H11N 0.9800 .
C114 H11O 0.9800 .
C51E C52E 1.519(9) .
C51E H51B 0.9800 .
C51E H51C 0.9800 .
C51E H51D 0.9800 .
C52E O50E 1.414(7) .
C52E H52A 0.9900 .
C52E H52B 0.9900 .
O50E C53E 1.430(8) .
C53E C54E 1.507(11) .
C53E H53B 0.9900 .
C53E H53C 0.9900 .
C54E H54A 0.9800 .
C54E H54B 0.9800 .
C54E H54C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C43 Au1 P1 C29 49(9) . . . .
C43 Au1 P1 C15 174(23) . . . .
C43 Au1 P1 C1 -70(9) . . . .
C79 Au2 P2 C28 -108(7) . . . .
C79 Au2 P2 C42 11(7) . . . .
C79 Au2 P2 C14 132(7) . . . .
C29 P1 C1 C2 -71.3(6) . . . .
C15 P1 C1 C2 -179.6(6) . . . .
Au1 P1 C1 C2 56.3(6) . . . .
P1 C1 C2 C3 178.9(6) . . . .
C1 C2 C3 C4 -61.9(10) . . . .
C2 C3 C4 C5 -46.8(12) . . . .
C3 C4 C5 C6 177.9(8) . . . .
C4 C5 C6 C7 71.3(11) . . . .
C5 C6 C7 C8 -172.7(7) . . . .
C6 C7 C8 C9 -65.7(10) . . . .
C7 C8 C9 C10 -178.1(6) . . . .
C8 C9 C10 C11 179.7(6) . . . .
C9 C10 C11 C12 67.6(7) . . . .
C10 C11 C12 C13 65.4(7) . . . .
C11 C12 C13 C14 176.0(5) . . . .
C12 C13 C14 P2 179.7(4) . . . .
C28 P2 C14 C13 -77.0(5) . . . .
C42 P2 C14 C13 171.7(4) . . . .
Au2 P2 C14 C13 45.1(5) . . . .
C29 P1 C15 C16 176.3(5) . . . .
C1 P1 C15 C16 -77.3(6) . . . .
Au1 P1 C15 C16 44.9(6) . . . .
P1 C15 C16 C17 161.0(5) . . . .
C15 C16 C17 C18 -78.9(8) . . . .
C16 C17 C18 C19 171.5(6) . . . .
C17 C18 C19 C20 177.1(7) . . . .
C18 C19 C20 C21 -176.1(7) . . . .
C19 C20 C21 C22 -60.3(10) . . . .
C20 C21 C22 C23 -60.6(10) . . . .
C21 C22 C23 C24 -172.7(10) . . . .
C22 C23 C24 C25 -162.2(10) . . . .
C23 C24 C25 C26 -79.5(15) . . . .
C24 C25 C26 C27 -159.0(9) . . . .
C25 C26 C27 C28 -73.1(11) . . . .
C26 C27 C28 P2 -173.9(6) . . . .
C42 P2 C28 C27 -85.1(6) . . . .
C14 P2 C28 C27 163.8(6) . . . .
Au2 P2 C28 C27 39.4(6) . . . .
C15 P1 C29 C30 -81.2(6) . . . .
C1 P1 C29 C30 172.9(5) . . . .
Au1 P1 C29 C30 48.8(6) . . . .
P1 C29 C30 C31 63.8(9) . . . .
C29 C30 C31 C32 168.4(7) . . . .
C30 C31 C32 C33 -62.3(12) . . . .
C31 C32 C33 C34 -67.5(13) . . . .
C32 C33 C34 C35 -173.1(9) . . . .
C33 C34 C35 C36 -156.8(10) . . . .
C34 C35 C36 C37 -169.7(7) . . . .
C35 C36 C37 C38 -172.2(6) . . . .
C36 C37 C38 C39 -64.1(7) . . . .
C37 C38 C39 C40 177.1(5) . . . .
C38 C39 C40 C41 -73.0(7) . . . .
C39 C40 C41 C42 179.7(5) . . . .
C40 C41 C42 P2 179.0(4) . . . .
C28 P2 C42 C41 -61.3(5) . . . .
C14 P2 C42 C41 50.1(5) . . . .
Au2 P2 C42 C41 176.7(4) . . . .
P1 Au1 C43 C48 -155(9) . . . .
P1 Au1 C43 C44 24(10) . . . .
C48 C43 C44 C45 2.8(8) . . . .
Au1 C43 C44 C45 -176.1(4) . . . .
C48 C43 C44 C49 -176.7(5) . . . .
Au1 C43 C44 C49 4.5(7) . . . .
C43 C44 C45 C46 -0.5(8) . . . .
C49 C44 C45 C46 179.0(5) . . . .
C44 C45 C46 C47 -1.7(9) . . . .
C45 C46 C47 C48 1.3(9) . . . .
C46 C47 C48 C43 1.1(8) . . . .
C46 C47 C48 C64 -178.9(5) . . . .
C44 C43 C48 C47 -3.2(8) . . . .
Au1 C43 C48 C47 175.7(4) . . . .
C44 C43 C48 C64 176.8(5) . . . .
Au1 C43 C48 C64 -4.3(6) . . . .
C45 C44 C49 C50 90.6(7) . . . .
C43 C44 C49 C50 -89.9(6) . . . .
C45 C44 C49 C54 -92.4(7) . . . .
C43 C44 C49 C54 87.0(7) . . . .
C54 C49 C50 C51 -0.6(8) . . . .
C44 C49 C50 C51 176.3(5) . . . .
C54 C49 C50 C55 -175.5(5) . . . .
C44 C49 C50 C55 1.4(8) . . . .
C49 C50 C51 C52 0.4(9) . . . .
C55 C50 C51 C52 175.4(5) . . . .
C50 C51 C52 C53 -0.3(9) . . . .
C50 C51 C52 C58 179.8(6) . . . .
C51 C52 C53 C54 0.3(10) . . . .
C58 C52 C53 C54 -179.7(6) . . . .
C52 C53 C54 C49 -0.5(10) . . . .
C52 C53 C54 C61 -176.8(6) . . . .
C50 C49 C54 C53 0.7(9) . . . .
C44 C49 C54 C53 -176.3(5) . . . .
C50 C49 C54 C61 176.8(5) . . . .
C44 C49 C54 C61 -0.1(8) . . . .
C49 C50 C55 C56 105.5(6) . . . .
C51 C50 C55 C56 -69.4(7) . . . .
C49 C50 C55 C57 -129.5(6) . . . .
C51 C50 C55 C57 55.6(7) . . . .
C53 C52 C58 C60 96.6(8) . . . .
C51 C52 C58 C60 -83.4(8) . . . .
C53 C52 C58 C59 -139.1(7) . . . .
C51 C52 C58 C59 40.9(9) . . . .
C53 C54 C61 C62 58.2(8) . . . .
C49 C54 C61 C62 -117.9(6) . . . .
C53 C54 C61 C63 -65.7(8) . . . .
C49 C54 C61 C63 118.2(6) . . . .
C47 C48 C64 C65 95.3(6) . . . .
C43 C48 C64 C65 -84.7(6) . . . .
C47 C48 C64 C69 -88.5(7) . . . .
C43 C48 C64 C69 91.5(6) . . . .
C69 C64 C65 C66 -1.3(8) . . . .
C48 C64 C65 C66 174.9(5) . . . .
C69 C64 C65 C70 177.6(5) . . . .
C48 C64 C65 C70 -6.2(8) . . . .
C64 C65 C66 C67 0.6(8) . . . .
C70 C65 C66 C67 -178.4(5) . . . .
C65 C66 C67 C68 0.9(8) . . . .
C65 C66 C67 C73 -179.2(5) . . . .
C66 C67 C68 C69 -1.8(8) . . . .
C73 C67 C68 C69 178.4(5) . . . .
C67 C68 C69 C64 1.0(8) . . . .
C67 C68 C69 C76 -176.8(5) . . . .
C65 C64 C69 C68 0.5(8) . . . .
C48 C64 C69 C68 -175.7(5) . . . .
C65 C64 C69 C76 178.3(5) . . . .
C48 C64 C69 C76 2.1(8) . . . .
C66 C65 C70 C71 70.3(7) . . . .
C64 C65 C70 C71 -108.6(6) . . . .
C66 C65 C70 C72 -54.2(7) . . . .
C64 C65 C70 C72 126.9(6) . . . .
C68 C67 C73 C75 -50.2(7) . . . .
C66 C67 C73 C75 129.9(6) . . . .
C68 C67 C73 C74 76.0(7) . . . .
C66 C67 C73 C74 -103.8(7) . . . .
C68 C69 C76 C77 58.9(7) . . . .
C64 C69 C76 C77 -118.9(6) . . . .
C68 C69 C76 C78 -66.2(7) . . . .
C64 C69 C76 C78 116.1(6) . . . .
P2 Au2 C79 C84 -108(7) . . . .
P2 Au2 C79 C80 69(7) . . . .
C84 C79 C80 C81 2.4(8) . . . .
Au2 C79 C80 C81 -175.0(4) . . . .
C84 C79 C80 C100 -178.7(5) . . . .
Au2 C79 C80 C100 3.9(7) . . . .
C79 C80 C81 C82 -1.0(8) . . . .
C100 C80 C81 C82 -179.9(5) . . . .
C80 C81 C82 C83 -1.1(8) . . . .
C81 C82 C83 C84 1.8(8) . . . .
C82 C83 C84 C79 -0.5(8) . . . .
C82 C83 C84 C85 -179.7(5) . . . .
C80 C79 C84 C83 -1.6(7) . . . .
Au2 C79 C84 C83 175.8(4) . . . .
C80 C79 C84 C85 177.6(5) . . . .
Au2 C79 C84 C85 -4.9(6) . . . .
C83 C84 C85 C90 88.0(6) . . . .
C79 C84 C85 C90 -91.2(6) . . . .
C83 C84 C85 C86 -99.0(6) . . . .
C79 C84 C85 C86 81.7(6) . . . .
C90 C85 C86 C87 2.2(8) . . . .
C84 C85 C86 C87 -170.9(5) . . . .
C90 C85 C86 C91 -176.2(5) . . . .
C84 C85 C86 C91 10.7(8) . . . .
C85 C86 C87 C88 1.0(8) . . . .
C91 C86 C87 C88 179.4(5) . . . .
C86 C87 C88 C89 -3.7(8) . . . .
C86 C87 C88 C94 176.7(5) . . . .
C87 C88 C89 C90 3.4(8) . . . .
C94 C88 C89 C90 -177.0(5) . . . .
C88 C89 C90 C85 -0.3(8) . . . .
C88 C89 C90 C97 178.3(5) . . . .
C86 C85 C90 C89 -2.5(7) . . . .
C84 C85 C90 C89 170.5(5) . . . .
C86 C85 C90 C97 179.0(5) . . . .
C84 C85 C90 C97 -8.0(7) . . . .
C87 C86 C91 C93 -71.8(7) . . . .
C85 C86 C91 C93 106.7(6) . . . .
C87 C86 C91 C92 52.5(7) . . . .
C85 C86 C91 C92 -129.1(6) . . . .
C87 C88 C94 C96 -32.5(7) . . . .
C89 C88 C94 C96 148.0(5) . . . .
C87 C88 C94 C95 93.6(6) . . . .
C89 C88 C94 C95 -85.9(6) . . . .
C89 C90 C97 C98 63.7(7) . . . .
C85 C90 C97 C98 -117.8(6) . . . .
C89 C90 C97 C99 -61.2(7) . . . .
C85 C90 C97 C99 117.4(6) . . . .
C81 C80 C100 C101 93.1(7) . . . .
C79 C80 C100 C101 -85.8(7) . . . .
C81 C80 C100 C105 -87.0(6) . . . .
C79 C80 C100 C105 94.1(6) . . . .
C105 C100 C101 C102 -0.3(8) . . . .
C80 C100 C101 C102 179.7(5) . . . .
C105 C100 C101 C106 178.1(4) . . . .
C80 C100 C101 C106 -2.0(8) . . . .
C100 C101 C102 C103 -0.4(8) . . . .
C106 C101 C102 C103 -178.8(5) . . . .
C101 C102 C103 C104 0.6(8) . . . .
C101 C102 C103 C109 177.9(5) . . . .
C102 C103 C104 C105 0.0(8) . . . .
C109 C103 C104 C105 -177.5(5) . . . .
C103 C104 C105 C100 -0.7(8) . . . .
C103 C104 C105 C112 -179.0(5) . . . .
C101 C100 C105 C104 0.8(7) . . . .
C80 C100 C105 C104 -179.1(5) . . . .
C101 C100 C105 C112 179.1(5) . . . .
C80 C100 C105 C112 -0.9(7) . . . .
C102 C101 C106 C108 63.4(6) . . . .
C100 C101 C106 C108 -115.0(6) . . . .
C102 C101 C106 C107 -61.6(6) . . . .
C100 C101 C106 C107 120.0(6) . . . .
C102 C103 C109 C111 -97.3(6) . . . .
C104 C103 C109 C111 80.0(6) . . . .
C102 C103 C109 C110 26.6(8) . . . .
C104 C103 C109 C110 -156.1(5) . . . .
C104 C105 C112 C114 72.3(6) . . . .
C100 C105 C112 C114 -106.0(6) . . . .
C104 C105 C112 C113 -49.8(6) . . . .
C100 C105 C112 C113 131.9(5) . . . .
C51E C52E O50E C53E -176.9(6) . . . .
C52E O50E C53E C54E 175.4(6) . . . .
