#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/34/4083449.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_4083449
loop_
_publ_author_name
'Ito, Hajime'
'Saito, Tomohisa'
'Miyahara, Takahiro'
'Zhong, Chongmin'
'Sawamura, Masaya'
_publ_section_title
;
 Gold(I) Hydride Intermediate in Catalysis: Dehydrogenative Alcohol
 Silylation Catalyzed by Gold(I) Complex
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4829
_journal_paper_doi               10.1021/om900445w
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C48 H41 Au Cl O P2'
_chemical_formula_weight         928.22
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000(4)
_cell_angle_beta                 105.8311(4)
_cell_angle_gamma                90.0000(4)
_cell_formula_units_Z            4
_cell_length_a                   12.819(2)
_cell_length_b                   18.468(2)
_cell_length_c                   17.497(2)
_cell_measurement_reflns_used    11393
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     3985.1(9)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 0.9961
_diffrn_measured_fraction_theta_max 0.9961
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            31400
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    3.888
_exptl_absorpt_correction_T_max  0.678
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.71
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.800
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     478
_refine_ls_number_reflns         7736
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.0498
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00063|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0342
_reflns_number_gt                7288
_reflns_number_total             9099
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            1a.cif
_cod_data_source_block           '_041221r'
_cod_original_cell_volume        3985.5(9)
_cod_original_formula_sum        'C48 H41 Au Cl O P2 '
_cod_database_code               4083449
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,1/2-z
-x,-y,-z
x,1/2-y,1/2+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_calc_flag
Au(1) Au 0.75406(1) 0.322482(7) 0.791769(7) 0.01997(4) Uani 1.00 d
Cl(2) Cl 0.58078(7) 0.31033(5) 0.82580(6) 0.0326(2) Uani 1.00 d
P(1) P 0.82833(7) 0.43371(5) 0.77119(5) 0.0188(2) Uani 1.00 d
P(2) P 0.84763(7) 0.21830(5) 0.77074(5) 0.0172(2) Uani 1.00 d
O(1) O 1.0111(2) 0.3316(1) 0.8189(1) 0.0186(6) Uani 1.00 d
C(1) C 0.9604(3) 0.4514(2) 0.8412(2) 0.0204(8) Uani 1.00 d
C(2) C 0.9866(3) 0.5171(2) 0.8813(2) 0.0239(9) Uani 1.00 d
C(3) C 1.0847(3) 0.5255(2) 0.9388(2) 0.0284(9) Uani 1.00 d
C(4) C 1.1582(3) 0.4689(2) 0.9566(2) 0.0250(9) Uani 1.00 d
C(5) C 1.1363(3) 0.4025(2) 0.9180(2) 0.0206(8) Uani 1.00 d
C(6) C 1.2141(3) 0.3379(2) 0.9333(2) 0.0223(8) Uani 1.00 d
C(7) C 1.1461(3) 0.2689(2) 0.9199(2) 0.0200(8) Uani 1.00 d
C(8) C 1.1798(3) 0.2034(2) 0.9588(2) 0.0235(9) Uani 1.00 d
C(9) C 1.1170(3) 0.1417(2) 0.9391(2) 0.0248(9) Uani 1.00 d
C(10) C 1.0186(3) 0.1436(2) 0.8815(2) 0.0209(8) Uani 1.00 d
C(11) C 0.9807(3) 0.2082(2) 0.8418(2) 0.0180(8) Uani 1.00 d
C(12) C 1.0477(3) 0.2692(2) 0.8617(2) 0.0174(8) Uani 1.00 d
C(13) C 1.0375(3) 0.3960(2) 0.8606(2) 0.0194(8) Uani 1.00 d
C(14) C 1.2804(3) 0.3375(2) 0.8711(2) 0.0283(10) Uani 1.00 d
C(15) C 1.2916(3) 0.3419(2) 1.0159(2) 0.034(1) Uani 1.00 d
C(16) C 0.8505(3) 0.4320(2) 0.6729(2) 0.0212(8) Uani 1.00 d
C(17) C 0.9516(3) 0.4393(2) 0.6589(2) 0.031(1) Uani 1.00 d
C(18) C 0.9604(3) 0.4372(2) 0.5816(3) 0.038(1) Uani 1.00 d
C(19) C 0.8702(4) 0.4273(2) 0.5187(2) 0.037(1) Uani 1.00 d
C(20) C 0.7701(3) 0.4199(2) 0.5322(2) 0.039(1) Uani 1.00 d
C(21) C 0.7600(3) 0.4216(2) 0.6094(2) 0.033(1) Uani 1.00 d
C(22) C 0.7547(3) 0.5186(2) 0.7679(2) 0.0209(8) Uani 1.00 d
C(23) C 0.7831(3) 0.5806(2) 0.7324(2) 0.0302(10) Uani 1.00 d
C(24) C 0.7260(3) 0.6441(2) 0.7300(2) 0.034(1) Uani 1.00 d
C(25) C 0.6391(3) 0.6465(2) 0.7625(2) 0.032(1) Uani 1.00 d
C(26) C 0.6100(3) 0.5861(2) 0.7974(2) 0.0293(10) Uani 1.00 d
C(27) C 0.6675(3) 0.5215(2) 0.8007(2) 0.0259(9) Uani 1.00 d
C(28) C 0.8761(3) 0.2188(2) 0.6742(2) 0.0201(8) Uani 1.00 d
C(29) C 0.7881(3) 0.2197(2) 0.6069(2) 0.036(1) Uani 1.00 d
C(30) C 0.8043(4) 0.2219(2) 0.5314(2) 0.043(1) Uani 1.00 d
C(31) C 0.9074(4) 0.2235(2) 0.5231(2) 0.039(1) Uani 1.00 d
C(32) C 0.9955(4) 0.2228(2) 0.5892(3) 0.041(1) Uani 1.00 d
C(33) C 0.9801(3) 0.2200(2) 0.6647(2) 0.032(1) Uani 1.00 d
C(34) C 0.7844(3) 0.1307(2) 0.7737(2) 0.0188(8) Uani 1.00 d
C(35) C 0.7007(3) 0.1257(2) 0.8102(2) 0.0225(9) Uani 1.00 d
C(36) C 0.6535(3) 0.0594(2) 0.8161(2) 0.0286(10) Uani 1.00 d
C(37) C 0.6886(3) -0.0024(2) 0.7859(2) 0.034(1) Uani 1.00 d
C(38) C 0.7708(3) 0.0024(2) 0.7485(2) 0.032(1) Uani 1.00 d
C(39) C 0.8182(3) 0.0684(2) 0.7424(2) 0.0259(9) Uani 1.00 d
C(40) C 0.4711(4) 0.3646(3) 0.6091(3) 0.050(1) Uani 1.00 d
C(41) C 0.5131(3) 0.2994(3) 0.5927(3) 0.044(1) Uani 1.00 d
C(42) C 0.5189(3) 0.2841(2) 0.5170(3) 0.038(1) Uani 1.00 d
C(43) C 0.4835(3) 0.3325(2) 0.4567(3) 0.040(1) Uani 1.00 d
C(44) C 0.4405(4) 0.3983(3) 0.4714(3) 0.052(1) Uani 1.00 d
C(45) C 0.4350(4) 0.4137(3) 0.5483(4) 0.058(2) Uani 1.00 d
C(46) C 0.5595(3) 0.0571(2) 0.4822(3) 0.038(1) Uani 1.00 d
C(47) C 0.5711(3) 0.0370(2) 0.5606(3) 0.038(1) Uani 1.00 d
C(48) C 0.5127(3) -0.0209(2) 0.5776(2) 0.036(1) Uani 1.00 d
H(1) H 0.9359 0.5570 0.8688 0.0297 Uiso 1.00 calc
H(2) H 1.1018 0.5706 0.9667 0.0348 Uiso 1.00 calc
H(3) H 1.2256 0.4750 0.9968 0.0303 Uiso 1.00 calc
H(4) H 1.2473 0.2012 0.9993 0.0287 Uiso 1.00 calc
H(5) H 1.1418 0.0971 0.9664 0.0298 Uiso 1.00 calc
H(6) H 0.9747 0.1006 0.8684 0.0259 Uiso 1.00 calc
H(7) H 1.3255 0.2958 0.8778 0.0349 Uiso 1.00 calc
H(8) H 1.2323 0.3370 0.8185 0.0349 Uiso 1.00 calc
H(9) H 1.3246 0.3798 0.8768 0.0349 Uiso 1.00 calc
H(10) H 1.3401 0.3017 1.0251 0.0427 Uiso 1.00 calc
H(11) H 1.3326 0.3855 1.0226 0.0427 Uiso 1.00 calc
H(12) H 1.2517 0.3407 1.0551 0.0427 Uiso 1.00 calc
H(13) H 1.0150 0.4456 0.7027 0.0376 Uiso 1.00 calc
H(14) H 1.0305 0.4426 0.5717 0.0448 Uiso 1.00 calc
H(15) H 0.8778 0.4259 0.4656 0.0443 Uiso 1.00 calc
H(16) H 0.7069 0.4135 0.4879 0.0480 Uiso 1.00 calc
H(17) H 0.6902 0.4157 0.6187 0.0403 Uiso 1.00 calc
H(18) H 0.8425 0.5780 0.7085 0.0358 Uiso 1.00 calc
H(19) H 0.7472 0.6865 0.7061 0.0414 Uiso 1.00 calc
H(20) H 0.5988 0.6910 0.7607 0.0393 Uiso 1.00 calc
H(21) H 0.5498 0.5879 0.8202 0.0357 Uiso 1.00 calc
H(22) H 0.6473 0.4793 0.8254 0.0316 Uiso 1.00 calc
H(23) H 0.7159 0.2187 0.6126 0.0438 Uiso 1.00 calc
H(24) H 0.7429 0.2210 0.4848 0.0523 Uiso 1.00 calc
H(25) H 0.9184 0.2259 0.4712 0.0483 Uiso 1.00 calc
H(26) H 1.0679 0.2243 0.5828 0.0508 Uiso 1.00 calc
H(27) H 1.0419 0.2187 0.7112 0.0399 Uiso 1.00 calc
H(28) H 0.6746 0.1685 0.8305 0.0272 Uiso 1.00 calc
H(29) H 0.5956 0.0563 0.8410 0.0341 Uiso 1.00 calc
H(30) H 0.6574 -0.0488 0.7928 0.0379 Uiso 1.00 calc
H(31) H 0.7949 -0.0404 0.7266 0.0388 Uiso 1.00 calc
H(32) H 0.8752 0.0712 0.7165 0.0321 Uiso 1.00 calc
H(33) H 0.4693 0.3756 0.6622 0.0610 Uiso 1.00 calc
H(34) H 0.5380 0.2647 0.6353 0.0528 Uiso 1.00 calc
H(35) H 0.5487 0.2385 0.5065 0.0478 Uiso 1.00 calc
H(36) H 0.4889 0.3214 0.4039 0.0500 Uiso 1.00 calc
H(37) H 0.4141 0.4328 0.4295 0.0631 Uiso 1.00 calc
H(38) H 0.4052 0.4592 0.5591 0.0679 Uiso 1.00 calc
H(39) H 0.6201 0.0636 0.6030 0.0478 Uiso 1.00 calc
H(40) H 0.6020 0.0965 0.4699 0.0453 Uiso 1.00 calc
H(41) H 0.5225 -0.0356 0.6323 0.0445 Uiso 1.00 calc
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Au Au -2.013 8.802
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl Cl 0.148 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl(2) Au(1) P(1) 123.42(3) . . yes
Cl(2) Au(1) P(2) 119.75(3) . . yes
P(1) Au(1) P(2) 116.73(3) . . yes
Au(1) P(1) C(1) 113.4(1) . . yes
Au(1) P(1) C(16) 107.8(1) . . yes
Au(1) P(1) C(22) 122.2(1) . . yes
C(1) P(1) C(16) 106.3(2) . . yes
C(1) P(1) C(22) 104.1(2) . . yes
C(16) P(1) C(22) 101.5(2) . . yes
Au(1) P(2) C(11) 113.5(1) . . yes
Au(1) P(2) C(28) 112.4(1) . . yes
Au(1) P(2) C(34) 118.3(1) . . yes
C(11) P(2) C(28) 104.2(1) . . yes
C(11) P(2) C(34) 103.3(1) . . yes
C(28) P(2) C(34) 103.6(2) . . yes
C(12) O(1) C(13) 115.5(2) . . yes
P(1) C(1) C(2) 123.0(3) . . yes
P(1) C(1) C(13) 119.8(2) . . yes
C(2) C(1) C(13) 117.1(3) . . yes
C(1) C(2) C(3) 120.5(3) . . yes
C(2) C(3) C(4) 120.4(3) . . yes
C(3) C(4) C(5) 121.4(3) . . yes
C(4) C(5) C(6) 124.5(3) . . yes
C(4) C(5) C(13) 116.7(3) . . yes
C(6) C(5) C(13) 118.8(3) . . yes
C(5) C(6) C(7) 107.8(3) . . yes
C(5) C(6) C(14) 109.6(3) . . yes
C(5) C(6) C(15) 110.8(3) . . yes
C(7) C(6) C(14) 106.7(3) . . yes
C(7) C(6) C(15) 112.7(3) . . yes
C(14) C(6) C(15) 109.1(3) . . yes
C(6) C(7) C(8) 124.1(3) . . yes
C(6) C(7) C(12) 118.5(3) . . yes
C(8) C(7) C(12) 117.2(3) . . yes
C(7) C(8) C(9) 120.7(3) . . yes
C(8) C(9) C(10) 120.9(3) . . yes
C(9) C(10) C(11) 120.5(3) . . yes
P(2) C(11) C(10) 124.0(2) . . yes
P(2) C(11) C(12) 118.8(2) . . yes
C(10) C(11) C(12) 117.0(3) . . yes
O(1) C(12) C(7) 120.3(3) . . yes
O(1) C(12) C(11) 116.1(3) . . yes
C(7) C(12) C(11) 123.5(3) . . yes
O(1) C(13) C(1) 116.4(3) . . yes
O(1) C(13) C(5) 119.8(3) . . yes
C(1) C(13) C(5) 123.9(3) . . yes
P(1) C(16) C(17) 124.0(3) . . yes
P(1) C(16) C(21) 116.6(3) . . yes
C(17) C(16) C(21) 119.4(3) . . yes
C(16) C(17) C(18) 119.8(4) . . yes
C(17) C(18) C(19) 120.7(4) . . yes
C(18) C(19) C(20) 119.8(4) . . yes
C(19) C(20) C(21) 120.2(4) . . yes
C(16) C(21) C(20) 120.1(3) . . yes
P(1) C(22) C(23) 121.5(3) . . yes
P(1) C(22) C(27) 119.2(3) . . yes
C(23) C(22) C(27) 119.2(3) . . yes
C(22) C(23) C(24) 120.8(3) . . yes
C(23) C(24) C(25) 119.7(4) . . yes
C(24) C(25) C(26) 120.3(3) . . yes
C(25) C(26) C(27) 120.6(3) . . yes
C(22) C(27) C(26) 119.4(3) . . yes
P(2) C(28) C(29) 117.6(3) . . yes
P(2) C(28) C(33) 123.5(3) . . yes
C(29) C(28) C(33) 118.9(3) . . yes
C(28) C(29) C(30) 120.4(4) . . yes
C(29) C(30) C(31) 120.0(4) . . yes
C(30) C(31) C(32) 120.3(4) . . yes
C(31) C(32) C(33) 120.2(4) . . yes
C(28) C(33) C(32) 120.3(4) . . yes
P(2) C(34) C(35) 118.6(2) . . yes
P(2) C(34) C(39) 122.3(3) . . yes
C(35) C(34) C(39) 119.1(3) . . yes
C(34) C(35) C(36) 120.0(3) . . yes
C(35) C(36) C(37) 120.5(3) . . yes
C(36) C(37) C(38) 119.7(3) . . yes
C(37) C(38) C(39) 120.1(3) . . yes
C(34) C(39) C(38) 120.5(3) . . yes
C(41) C(40) C(45) 118.8(4) . . yes
C(40) C(41) C(42) 120.3(5) . . yes
C(41) C(42) C(43) 121.2(4) . . yes
C(42) C(43) C(44) 119.8(4) . . yes
C(43) C(44) C(45) 118.9(5) . . yes
C(40) C(45) C(44) 121.1(4) . . yes
C(47) C(46) C(48) 119.5(4) . 3_656 yes
C(46) C(47) C(48) 120.0(4) . . yes
C(46) C(48) C(47) 120.4(4) 3_656 . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au(1) Cl(2) 2.4620(9) . yes
Au(1) P(1) 2.3330(8) . yes
Au(1) P(2) 2.3488(8) . yes
P(1) C(1) 1.828(3) . yes
P(1) C(16) 1.819(4) . yes
P(1) C(22) 1.823(3) . yes
P(2) C(11) 1.825(3) . yes
P(2) C(28) 1.823(3) . yes
P(2) C(34) 1.816(3) . yes
O(1) C(12) 1.385(4) . yes
O(1) C(13) 1.389(4) . yes
C(1) C(2) 1.396(4) . yes
C(1) C(13) 1.398(5) . yes
C(2) C(3) 1.388(5) . yes
C(3) C(4) 1.384(5) . yes
C(4) C(5) 1.391(5) . yes
C(5) C(6) 1.531(5) . yes
C(5) C(13) 1.390(4) . yes
C(6) C(7) 1.525(4) . yes
C(6) C(14) 1.554(5) . yes
C(6) C(15) 1.516(5) . yes
C(7) C(8) 1.397(5) . yes
C(7) C(12) 1.390(4) . yes
C(8) C(9) 1.382(5) . yes
C(9) C(10) 1.383(5) . yes
C(10) C(11) 1.399(5) . yes
C(11) C(12) 1.402(4) . yes
C(16) C(17) 1.389(5) . yes
C(16) C(21) 1.383(5) . yes
C(17) C(18) 1.387(5) . yes
C(18) C(19) 1.375(6) . yes
C(19) C(20) 1.372(6) . yes
C(20) C(21) 1.393(5) . yes
C(22) C(23) 1.398(5) . yes
C(22) C(27) 1.389(4) . yes
C(23) C(24) 1.376(5) . yes
C(24) C(25) 1.383(6) . yes
C(25) C(26) 1.371(5) . yes
C(26) C(27) 1.396(5) . yes
C(28) C(29) 1.392(5) . yes
C(28) C(33) 1.388(5) . yes
C(29) C(30) 1.393(5) . yes
C(30) C(31) 1.369(6) . yes
C(31) C(32) 1.379(6) . yes
C(32) C(33) 1.389(5) . yes
C(34) C(35) 1.394(5) . yes
C(34) C(39) 1.394(5) . yes
C(35) C(36) 1.380(5) . yes
C(36) C(37) 1.384(6) . yes
C(37) C(38) 1.387(6) . yes
C(38) C(39) 1.380(5) . yes
C(40) C(41) 1.381(7) . yes
C(40) C(45) 1.378(7) . yes
C(41) C(42) 1.376(6) . yes
C(42) C(43) 1.363(6) . yes
C(43) C(44) 1.387(6) . yes
C(44) C(45) 1.396(7) . yes
C(46) C(47) 1.389(6) . yes
C(46) C(48) 1.367(6) 3_656 yes
C(47) C(48) 1.385(6) . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
C(2) C(3) 3.596(5) 3_767
C(3) C(3) 3.569(7) 3_767
C(15) C(26) 3.432(6) 3_767
C(26) C(36) 3.455(5) 2_656
C(29) C(42) 3.582(6) .
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_publ_flag
Au(1) P(1) C(1) C(2) -132.9(3) yes
Au(1) P(1) C(1) C(13) 42.5(3) yes
Au(1) P(1) C(16) C(17) -118.9(3) yes
Au(1) P(1) C(16) C(21) 60.2(3) yes
Au(1) P(1) C(22) C(23) -160.1(3) yes
Au(1) P(1) C(22) C(27) 19.1(3) yes
Au(1) P(2) C(11) C(10) 133.2(3) yes
Au(1) P(2) C(11) C(12) -43.2(3) yes
Au(1) P(2) C(28) C(29) -61.9(3) yes
Au(1) P(2) C(28) C(33) 116.4(3) yes
Au(1) P(2) C(34) C(35) -18.4(3) yes
Au(1) P(2) C(34) C(39) 163.0(2) yes
Cl(2) Au(1) P(1) C(1) 118.7(1) yes
Cl(2) Au(1) P(1) C(16) -123.9(1) yes
Cl(2) Au(1) P(1) C(22) -7.2(1) yes
Cl(2) Au(1) P(2) C(11) -117.3(1) yes
Cl(2) Au(1) P(2) C(28) 124.7(1) yes
Cl(2) Au(1) P(2) C(34) 4.1(1) yes
P(1) Au(1) P(2) C(11) 66.3(1) yes
P(1) Au(1) P(2) C(28) -51.7(1) yes
P(1) Au(1) P(2) C(34) -172.4(1) yes
P(1) C(1) C(2) C(3) 174.5(3) yes
P(1) C(1) C(13) O(1) 5.7(4) yes
P(1) C(1) C(13) C(5) -174.4(3) yes
P(1) C(16) C(17) C(18) 179.9(3) yes
P(1) C(16) C(21) C(20) 179.7(3) yes
P(1) C(22) C(23) C(24) 179.5(3) yes
P(1) C(22) C(27) C(26) -179.2(3) yes
P(2) Au(1) P(1) C(1) -65.0(1) yes
P(2) Au(1) P(1) C(16) 52.4(1) yes
P(2) Au(1) P(1) C(22) 169.1(1) yes
P(2) C(11) C(10) C(9) -174.9(3) yes
P(2) C(11) C(12) O(1) -6.5(4) yes
P(2) C(11) C(12) C(7) 174.3(3) yes
P(2) C(28) C(29) C(30) 178.4(3) yes
P(2) C(28) C(33) C(32) -177.7(3) yes
P(2) C(34) C(35) C(36) -177.7(3) yes
P(2) C(34) C(39) C(38) 177.5(3) yes
O(1) C(12) C(7) C(6) -2.1(5) yes
O(1) C(12) C(7) C(8) -177.8(3) yes
O(1) C(12) C(11) C(10) 176.9(3) yes
O(1) C(13) C(1) C(2) -178.6(3) yes
O(1) C(13) C(5) C(4) 179.0(3) yes
O(1) C(13) C(5) C(6) 0.3(5) yes
C(1) P(1) C(16) C(17) 3.0(3) yes
C(1) P(1) C(16) C(21) -178.0(3) yes
C(1) P(1) C(22) C(23) 70.0(3) yes
C(1) P(1) C(22) C(27) -110.7(3) yes
C(1) C(2) C(3) C(4) 0.4(5) yes
C(1) C(13) O(1) C(12) -144.9(3) yes
C(1) C(13) C(5) C(4) -0.8(5) yes
C(1) C(13) C(5) C(6) -179.5(3) yes
C(2) C(1) P(1) C(16) 108.8(3) yes
C(2) C(1) P(1) C(22) 2.1(3) yes
C(2) C(1) C(13) C(5) 1.2(5) yes
C(2) C(3) C(4) C(5) 0.0(6) yes
C(3) C(2) C(1) C(13) -1.0(5) yes
C(3) C(4) C(5) C(6) 178.8(3) yes
C(3) C(4) C(5) C(13) 0.2(5) yes
C(4) C(5) C(6) C(7) 148.4(3) yes
C(4) C(5) C(6) C(14) -95.8(4) yes
C(4) C(5) C(6) C(15) 24.7(5) yes
C(5) C(6) C(7) C(8) -150.8(3) yes
C(5) C(6) C(7) C(12) 33.8(4) yes
C(5) C(13) O(1) C(12) 35.2(4) yes
C(6) C(7) C(8) C(9) -175.1(3) yes
C(6) C(7) C(12) C(11) 177.1(3) yes
C(7) C(6) C(5) C(13) -33.0(4) yes
C(7) C(8) C(9) C(10) -1.1(5) yes
C(7) C(12) O(1) C(13) -34.4(4) yes
C(7) C(12) C(11) C(10) -2.4(5) yes
C(8) C(7) C(6) C(14) 91.5(4) yes
C(8) C(7) C(6) C(15) -28.2(5) yes
C(8) C(7) C(12) C(11) 1.4(5) yes
C(8) C(9) C(10) C(11) 0.1(5) yes
C(9) C(8) C(7) C(12) 0.3(5) yes
C(9) C(10) C(11) C(12) 1.5(5) yes
C(10) C(11) P(2) C(28) -104.2(3) yes
C(10) C(11) P(2) C(34) 3.8(3) yes
C(11) P(2) C(28) C(29) 174.7(3) yes
C(11) P(2) C(28) C(33) -7.0(3) yes
C(11) P(2) C(34) C(35) 108.0(3) yes
C(11) P(2) C(34) C(39) -70.6(3) yes
C(11) C(12) O(1) C(13) 146.3(3) yes
C(12) C(7) C(6) C(14) -83.9(4) yes
C(12) C(7) C(6) C(15) 156.4(3) yes
C(12) C(11) P(2) C(28) 79.4(3) yes
C(12) C(11) P(2) C(34) -172.6(3) yes
C(13) C(1) P(1) C(16) -75.8(3) yes
C(13) C(1) P(1) C(22) 177.5(3) yes
C(13) C(5) C(6) C(14) 82.8(4) yes
C(13) C(5) C(6) C(15) -156.7(3) yes
C(16) P(1) C(22) C(23) -40.3(3) yes
C(16) P(1) C(22) C(27) 138.9(3) yes
C(16) C(17) C(18) C(19) -0.5(6) yes
C(16) C(21) C(20) C(19) 1.1(6) yes
C(17) C(16) P(1) C(22) 111.6(3) yes
C(17) C(16) C(21) C(20) -1.2(6) yes
C(17) C(18) C(19) C(20) 0.4(7) yes
C(18) C(17) C(16) C(21) 0.9(6) yes
C(18) C(19) C(20) C(21) -0.7(7) yes
C(21) C(16) P(1) C(22) -69.3(3) yes
C(22) C(23) C(24) C(25) -0.4(6) yes
C(22) C(27) C(26) C(25) -0.2(6) yes
C(23) C(22) C(27) C(26) 0.1(5) yes
C(23) C(24) C(25) C(26) 0.2(6) yes
C(24) C(23) C(22) C(27) 0.2(6) yes
C(24) C(25) C(26) C(27) 0.1(6) yes
C(28) P(2) C(34) C(35) -143.6(3) yes
C(28) P(2) C(34) C(39) 37.8(3) yes
C(28) C(29) C(30) C(31) -0.4(7) yes
C(28) C(33) C(32) C(31) -0.9(7) yes
C(29) C(28) P(2) C(34) 66.9(3) yes
C(29) C(28) C(33) C(32) 0.6(6) yes
C(29) C(30) C(31) C(32) 0.1(7) yes
C(30) C(29) C(28) C(33) 0.0(6) yes
C(30) C(31) C(32) C(33) 0.5(7) yes
C(33) C(28) P(2) C(34) -114.8(3) yes
C(34) C(35) C(36) C(37) 0.1(6) yes
C(34) C(39) C(38) C(37) 0.2(6) yes
C(35) C(34) C(39) C(38) -1.1(5) yes
C(35) C(36) C(37) C(38) -1.0(6) yes
C(36) C(35) C(34) C(39) 0.9(5) yes
C(36) C(37) C(38) C(39) 0.9(6) yes
C(40) C(41) C(42) C(43) -0.1(7) yes
C(40) C(45) C(44) C(43) -0.2(7) yes
C(41) C(40) C(45) C(44) -0.1(7) yes
C(41) C(42) C(43) C(44) -0.2(6) yes
C(42) C(41) C(40) C(45) 0.3(7) yes
C(42) C(43) C(44) C(45) 0.4(7) yes
C(42) C(43) C(44) C(45) 0.4(7) yes
