#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/56/4065645.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_4065645
loop_
_publ_author_name
'Nguyen, Minh-Hai'
'Yip, John H. K.'
_publ_section_title
;
 Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides:
 Structural and Fluorescence Color Changes Induced by σ-Metalation
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2422
_journal_paper_doi               10.1021/om100046h
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C61.5 H43.5 Au2 Cl10.5 P2'
_chemical_formula_weight         1610.56
_chemical_name_common            4.3.5CHCl3
_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                89.380(3)
_cell_angle_beta                 86.435(3)
_cell_angle_gamma                70.710(3)
_cell_formula_units_Z            2
_cell_length_a                   13.1311(17)
_cell_length_b                   14.635(2)
_cell_length_c                   16.498(2)
_cell_measurement_reflns_used    2624
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     2986.5(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0601
_diffrn_reflns_av_sigmaI/netI    0.1126
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17112
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    5.470
_exptl_absorpt_correction_T_max  0.6687
_exptl_absorpt_correction_T_min  0.3305
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             1558
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.404
_refine_diff_density_min         -1.905
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     694
_refine_ls_number_reflns         10480
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.1096
_refine_ls_R_factor_gt           0.0696
_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)+(0.0896P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1575
_refine_ls_wR_factor_ref         0.1794
_reflns_number_gt                6987
_reflns_number_total             10480
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100046h_si_003.cif
_cod_data_source_block           8223a
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C61.50 H43.50 Au2 Cl10.50 P2'
_cod_database_code               4065645
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
Au1 Au 0.58743(4) 0.74012(4) 0.64776(3) 0.02901(17) Uani 1 1 d .
Au2 Au -0.35491(4) 1.19731(4) 0.81363(3) 0.02985(17) Uani 1 1 d .
P1 P 0.7597(2) 0.6466(2) 0.6092(2) 0.0270(8) Uani 1 1 d .
P2 P -0.5263(3) 1.2910(3) 0.8557(2) 0.0294(8) Uani 1 1 d .
C1 C 0.4334(10) 0.8167(10) 0.6753(8) 0.032(3) Uani 1 1 d U
C2 C 0.3420(9) 0.8626(9) 0.6882(7) 0.024(3) Uani 1 1 d .
C3 C 0.2265(10) 0.9151(10) 0.7080(8) 0.031(3) Uani 1 1 d U
C4 C 0.1631(9) 0.9784(9) 0.6478(8) 0.028(3) Uani 1 1 d .
C5 C 0.2101(11) 0.9940(11) 0.5738(11) 0.051(4) Uani 1 1 d .
H5 H 0.2852 0.9661 0.5630 0.061 Uiso 1 1 calc R
C6 C 0.1481(12) 1.0496(10) 0.5163(11) 0.052(4) Uani 1 1 d .
H6 H 0.1798 1.0554 0.4647 0.062 Uiso 1 1 calc R
C7 C 0.0347(13) 1.0993(11) 0.5342(11) 0.054(4) Uani 1 1 d .
H7 H -0.0074 1.1399 0.4955 0.065 Uiso 1 1 calc R
C8 C -0.0103(11) 1.0867(10) 0.6071(9) 0.041(4) Uani 1 1 d .
H8 H -0.0850 1.1173 0.6182 0.049 Uiso 1 1 calc R
C9 C 0.0506(11) 1.0294(10) 0.6669(7) 0.030(3) Uani 1 1 d .
C10 C 0.0023(10) 1.0175(9) 0.7454(8) 0.028(3) Uani 1 1 d .
C11 C 0.0626(9) 0.9544(9) 0.8030(8) 0.026(3) Uani 1 1 d U
C12 C 0.0198(9) 0.9351(9) 0.8786(8) 0.028(3) Uani 1 1 d U
H12 H -0.0533 0.9694 0.8926 0.033 Uiso 1 1 calc R
C13 C 0.0772(12) 0.8688(11) 0.9350(9) 0.040(4) Uani 1 1 d .
C14 C 0.0315(12) 0.8490(11) 1.0091(9) 0.041(4) Uani 1 1 d .
H14 H -0.0424 0.8811 1.0220 0.049 Uiso 1 1 calc R
C15 C 0.0883(14) 0.7863(13) 1.0623(9) 0.054(5) Uani 1 1 d .
H15 H 0.0568 0.7784 1.1135 0.065 Uiso 1 1 calc R
C16 C 0.1979(12) 0.7320(12) 1.0397(9) 0.047(4) Uani 1 1 d .
H16 H 0.2377 0.6847 1.0751 0.057 Uiso 1 1 calc R
C17 C 0.2455(11) 0.7470(12) 0.9683(9) 0.046(4) Uani 1 1 d .
H17 H 0.3184 0.7107 0.9556 0.055 Uiso 1 1 calc R
C18 C 0.1893(11) 0.8154(11) 0.9125(8) 0.035(3) Uani 1 1 d .
C19 C 0.2354(11) 0.8346(11) 0.8396(8) 0.036(3) Uani 1 1 d .
H19 H 0.3097 0.8029 0.8277 0.043 Uiso 1 1 calc R
C20 C 0.1767(10) 0.8995(10) 0.7822(8) 0.034(3) Uani 1 1 d .
C21 C -0.1107(11) 1.0691(10) 0.7664(8) 0.035(3) Uani 1 1 d .
C22 C -0.2048(11) 1.1149(11) 0.7820(9) 0.041(4) Uani 1 1 d .
C1C C 0.8689(10) 0.6858(10) 0.6470(8) 0.033(3) Uani 1 1 d .
C2C C 0.9733(10) 0.6240(10) 0.6441(9) 0.039(4) Uani 1 1 d .
H2C H 0.9907 0.5599 0.6252 0.047 Uiso 1 1 calc R
C3C C 1.0508(11) 0.6576(14) 0.6692(9) 0.054(5) Uani 1 1 d .
H3C H 1.1233 0.6170 0.6656 0.065 Uiso 1 1 calc R
C4C C 1.0258(13) 0.7490(13) 0.6993(10) 0.051(4) Uani 1 1 d .
H4C H 1.0808 0.7695 0.7184 0.062 Uiso 1 1 calc R
C5C C 0.9210(13) 0.8121(11) 0.7023(11) 0.058(5) Uani 1 1 d .
H5C H 0.9035 0.8755 0.7229 0.070 Uiso 1 1 calc R
C6C C 0.8412(13) 0.7786(12) 0.6735(11) 0.058(5) Uani 1 1 d .
H6C H 0.7693 0.8201 0.6726 0.070 Uiso 1 1 calc R
C1D C -0.6294(9) 1.2359(9) 0.8362(7) 0.025(3) Uani 1 1 d .
C2D C -0.6075(12) 1.1703(11) 0.7754(9) 0.045(4) Uani 1 1 d .
H2D H -0.5419 1.1550 0.7437 0.053 Uiso 1 1 calc R
C3D C -0.6835(14) 1.1249(12) 0.7597(11) 0.057(5) Uani 1 1 d .
H3D H -0.6689 1.0786 0.7177 0.069 Uiso 1 1 calc R
C4D C -0.7794(13) 1.1488(12) 0.8064(11) 0.052(4) Uani 1 1 d .
H4D H -0.8310 1.1193 0.7960 0.063 Uiso 1 1 calc R
C5D C -0.7992(13) 1.2144(13) 0.8669(10) 0.053(4) Uani 1 1 d .
H5D H -0.8658 1.2326 0.8975 0.063 Uiso 1 1 calc R
C6D C -0.7228(11) 1.2547(10) 0.8840(10) 0.042(4) Uani 1 1 d .
H6D H -0.7346 1.2961 0.9294 0.051 Uiso 1 1 calc R
C1E C -0.5702(10) 1.4091(9) 0.8095(7) 0.025(3) Uani 1 1 d .
C2E C -0.6736(10) 1.4770(9) 0.8304(8) 0.030(3) Uani 1 1 d .
H2E H -0.7218 1.4614 0.8680 0.036 Uiso 1 1 calc R
C3E C -0.7018(12) 1.5667(10) 0.7940(9) 0.041(4) Uani 1 1 d .
H3E H -0.7699 1.6126 0.8078 0.049 Uiso 1 1 calc R
C4E C -0.6343(11) 1.5898(11) 0.7395(9) 0.039(4) Uani 1 1 d .
H4E H -0.6557 1.6516 0.7163 0.047 Uiso 1 1 calc R
C5E C -0.5353(12) 1.5252(10) 0.7172(8) 0.039(4) Uani 1 1 d .
H5E H -0.4894 1.5420 0.6781 0.047 Uiso 1 1 calc R
C6E C -0.5016(10) 1.4318(10) 0.7538(8) 0.034(3) Uani 1 1 d .
H6E H -0.4332 1.3867 0.7395 0.041 Uiso 1 1 calc R
C1F C -0.5394(10) 1.3125(9) 0.9660(7) 0.027(3) Uani 1 1 d U
C2F C -0.5237(11) 1.2323(10) 1.0178(8) 0.038(3) Uani 1 1 d .
H2F H -0.5120 1.1707 0.9952 0.046 Uiso 1 1 calc R
C3F C -0.5251(11) 1.2422(11) 1.0982(9) 0.041(4) Uani 1 1 d .
H3F H -0.5165 1.1877 1.1312 0.049 Uiso 1 1 calc R
C4F C -0.5388(13) 1.3292(12) 1.1334(8) 0.046(4) Uani 1 1 d .
H4F H -0.5376 1.3353 1.1899 0.055 Uiso 1 1 calc R
C5F C -0.5548(12) 1.4106(11) 1.0822(9) 0.042(4) Uani 1 1 d .
H5F H -0.5661 1.4720 1.1050 0.050 Uiso 1 1 calc R
C6F C -0.5540(11) 1.4000(11) 0.9990(7) 0.037(3) Uani 1 1 d .
H6F H -0.5637 1.4540 0.9653 0.044 Uiso 1 1 calc R
C1A C 0.7793(10) 0.6405(10) 0.4990(9) 0.034(3) Uani 1 1 d .
C2A C 0.7132(14) 0.6024(14) 0.4553(9) 0.057(5) Uani 1 1 d .
H2A H 0.6625 0.5785 0.4826 0.068 Uiso 1 1 calc R
C3A C 0.7240(17) 0.6011(14) 0.3741(12) 0.068(5) Uani 1 1 d .
H3A H 0.6851 0.5706 0.3447 0.081 Uiso 1 1 calc R
C4A C 0.7883(16) 0.6418(16) 0.3340(11) 0.070(6) Uani 1 1 d .
H4A H 0.7909 0.6414 0.2770 0.084 Uiso 1 1 calc R
C5A C 0.8512(14) 0.6844(19) 0.3720(11) 0.097(9) Uani 1 1 d .
H5A H 0.8951 0.7147 0.3432 0.116 Uiso 1 1 calc R
C6A C 0.8449(16) 0.6794(15) 0.4576(10) 0.068(6) Uani 1 1 d .
H6A H 0.8891 0.7047 0.4868 0.082 Uiso 1 1 calc R
C1B C 0.7920(10) 0.5219(10) 0.6443(9) 0.034(3) Uani 1 1 d .
C2B C 0.8486(15) 0.4427(11) 0.5956(11) 0.059(5) Uani 1 1 d .
H2B H 0.8717 0.4511 0.5418 0.071 Uiso 1 1 calc R
C3B C 0.8701(15) 0.3528(12) 0.6270(13) 0.066(5) Uani 1 1 d .
H3B H 0.9061 0.2988 0.5934 0.079 Uiso 1 1 calc R
C4B C 0.8419(13) 0.3381(13) 0.7037(12) 0.058(5) Uani 1 1 d .
H4B H 0.8600 0.2748 0.7238 0.069 Uiso 1 1 calc R
C5B C 0.7868(14) 0.4151(15) 0.7530(12) 0.071(6) Uani 1 1 d .
H5B H 0.7650 0.4050 0.8068 0.085 Uiso 1 1 calc R
C6B C 0.7632(13) 0.5083(11) 0.7231(10) 0.051(4) Uani 1 1 d .
H6B H 0.7275 0.5619 0.7571 0.061 Uiso 1 1 calc R
C1S C 0.9516(18) 0.574(2) 0.8690(17) 0.124(11) Uani 1 1 d .
H1S H 0.9340 0.6090 0.8173 0.149 Uiso 1 1 calc R
Cl1 Cl 0.7734(4) 0.8372(4) 0.9052(3) 0.0824(15) Uani 1 1 d .
Cl2 Cl 0.7143(5) 1.0124(4) 1.0000(4) 0.107(2) Uani 1 1 d .
Cl3 Cl 0.5724(5) 0.9906(4) 0.8821(5) 0.104(2) Uani 1 1 d .
C2S C 0.7069(14) 0.9612(13) 0.9087(15) 0.087(7) Uani 1 1 d .
H2S H 0.7442 0.9901 0.8671 0.105 Uiso 1 1 calc R
Cl4 Cl 1.0175(5) 0.6341(5) 0.9245(4) 0.109(2) Uani 1 1 d .
Cl5 Cl 1.0301(5) 0.4582(5) 0.8456(5) 0.125(3) Uani 1 1 d .
Cl6 Cl 0.8290(5) 0.5782(5) 0.9207(4) 0.102(2) Uani 1 1 d .
C3S C 0.3524(13) 0.7315(13) 0.4979(10) 0.059(5) Uani 1 1 d .
H3S H 0.3904 0.7641 0.5314 0.071 Uiso 1 1 calc R
Cl7 Cl 0.4314(5) 0.6093(4) 0.4845(4) 0.105(2) Uani 1 1 d .
Cl8 Cl 0.3294(5) 0.7893(4) 0.4045(3) 0.0839(16) Uani 1 1 d .
Cl9 Cl 0.2290(4) 0.7379(4) 0.5482(3) 0.0740(14) Uani 1 1 d .
Cl10 Cl 0.5646(7) 0.9007(6) 0.4760(5) 0.145(3) Uani 1 1 d .
C4S C 0.518(4) 1.001(3) 0.570(3) 0.095(14) Uani 0.50 1 d PU
H4S H 0.4664 0.9778 0.6034 0.114 Uiso 0.50 1 calc PR
Cl11 Cl 0.6045(9) 0.9973(8) 0.6284(9) 0.097(4) Uani 0.50 1 d P
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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Au1 P1 175.8(4) . .
C22 Au2 P2 177.6(5) . .
C1A P1 C1B 106.6(6) . .
C1A P1 C1C 106.8(6) . .
C1B P1 C1C 103.7(6) . .
C1A P1 Au1 110.4(4) . .
C1B P1 Au1 112.6(4) . .
C1C P1 Au1 116.1(4) . .
C1E P2 C1D 105.9(6) . .
C1E P2 C1F 106.2(6) . .
C1D P2 C1F 104.9(6) . .
C1E P2 Au2 113.9(4) . .
C1D P2 Au2 113.7(4) . .
C1F P2 Au2 111.5(4) . .
C2 C1 Au1 177.3(12) . .
C1 C2 C3 176.3(14) . .
C20 C3 C4 120.3(11) . .
C20 C3 C2 120.3(12) . .
C4 C3 C2 119.3(11) . .
C5 C4 C9 119.2(12) . .
C5 C4 C3 121.3(12) . .
C9 C4 C3 119.4(12) . .
C6 C5 C4 120.4(13) . .
C5 C6 C7 120.5(15) . .
C8 C7 C6 118.9(15) . .
C7 C8 C9 121.9(13) . .
C8 C9 C4 118.7(12) . .
C8 C9 C10 121.7(12) . .
C4 C9 C10 119.6(12) . .
C11 C10 C9 121.2(11) . .
C11 C10 C21 118.2(11) . .
C9 C10 C21 120.6(12) . .
C12 C11 C10 124.4(11) . .
C12 C11 C20 116.5(12) . .
C10 C11 C20 119.0(12) . .
C13 C12 C11 125.2(12) . .
C14 C13 C12 124.0(14) . .
C14 C13 C18 118.9(13) . .
C12 C13 C18 117.0(12) . .
C15 C14 C13 122.8(15) . .
C14 C15 C16 118.3(14) . .
C17 C16 C15 121.2(15) . .
C16 C17 C18 121.8(13) . .
C19 C18 C17 123.8(13) . .
C19 C18 C13 119.4(13) . .
C17 C18 C13 116.7(12) . .
C18 C19 C20 123.2(13) . .
C3 C20 C19 121.2(12) . .
C3 C20 C11 120.2(12) . .
C19 C20 C11 118.5(12) . .
C22 C21 C10 177.5(16) . .
C21 C22 Au2 175.1(13) . .
C6C C1C C2C 122.3(13) . .
C6C C1C P1 117.0(11) . .
C2C C1C P1 120.6(10) . .
C3C C2C C1C 118.2(14) . .
C2C C3C C4C 121.4(15) . .
C3C C4C C5C 121.0(14) . .
C4C C5C C6C 117.7(14) . .
C1C C6C C5C 119.4(14) . .
C2D C1D C6D 119.8(13) . .
C2D C1D P2 117.7(10) . .
C6D C1D P2 122.3(10) . .
C1D C2D C3D 119.4(15) . .
C4D C3D C2D 119.5(15) . .
C5D C4D C3D 119.9(15) . .
C4D C5D C6D 120.1(16) . .
C1D C6D C5D 121.0(14) . .
C6E C1E C2E 120.3(13) . .
C6E C1E P2 118.5(10) . .
C2E C1E P2 121.1(10) . .
C3E C2E C1E 118.4(13) . .
C4E C3E C2E 121.5(14) . .
C3E C4E C5E 121.3(14) . .
C4E C5E C6E 119.4(14) . .
C1E C6E C5E 119.0(12) . .
C6F C1F C2F 118.8(12) . .
C6F C1F P2 122.6(10) . .
C2F C1F P2 118.4(9) . .
C3F C2F C1F 121.3(14) . .
C2F C3F C4F 121.4(15) . .
C3F C4F C5F 118.0(13) . .
C6F C5F C4F 120.3(14) . .
C1F C6F C5F 120.2(13) . .
C6A C1A C2A 118.5(14) . .
C6A C1A P1 122.9(12) . .
C2A C1A P1 118.2(11) . .
C3A C2A C1A 118.7(16) . .
C4A C3A C2A 121.7(18) . .
C3A C4A C5A 123.0(18) . .
C4A C5A C6A 114.8(17) . .
C1A C6A C5A 123.0(16) . .
C6B C1B C2B 119.6(14) . .
C6B C1B P1 117.5(11) . .
C2B C1B P1 122.8(12) . .
C3B C2B C1B 118.8(17) . .
C4B C3B C2B 122.3(18) . .
C3B C4B C5B 120.0(18) . .
C4B C5B C6B 119.4(17) . .
C1B C6B C5B 119.8(15) . .
Cl5 C1S Cl4 112.4(14) . .
Cl5 C1S Cl6 111.4(18) . .
Cl4 C1S Cl6 110.2(13) . .
Cl2 C2S Cl1 112.9(12) . .
Cl2 C2S Cl3 111.4(12) . .
Cl1 C2S Cl3 111.6(12) . .
Cl8 C3S Cl9 109.7(9) . .
Cl8 C3S Cl7 110.7(9) . .
Cl9 C3S Cl7 108.7(11) . .
C4S Cl10 C4S 78(2) 2_676 .
Cl11 C4S Cl10 128(3) . 2_676
Cl11 C4S Cl10 116(3) . .
Cl10 C4S Cl10 102(2) 2_676 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 1.988(12) .
Au1 P1 2.277(3) .
Au2 C22 1.982(14) .
Au2 P2 2.283(3) .
P1 C1A 1.819(14) .
P1 C1B 1.828(14) .
P1 C1C 1.854(13) .
P2 C1E 1.809(13) .
P2 C1D 1.835(13) .
P2 C1F 1.838(12) .
C1 C2 1.174(16) .
C2 C3 1.473(16) .
C3 C20 1.404(19) .
C3 C4 1.452(18) .
C4 C5 1.39(2) .
C4 C9 1.434(17) .
C5 C6 1.37(2) .
C6 C7 1.44(2) .
C7 C8 1.35(2) .
C8 C9 1.397(19) .
C9 C10 1.441(18) .
C10 C11 1.405(18) .
C10 C21 1.447(18) .
C11 C12 1.400(18) .
C11 C20 1.468(16) .
C12 C13 1.400(18) .
C13 C14 1.40(2) .
C13 C18 1.45(2) .
C14 C15 1.33(2) .
C15 C16 1.42(2) .
C16 C17 1.35(2) .
C17 C18 1.404(19) .
C18 C19 1.382(19) .
C19 C20 1.407(18) .
C21 C22 1.208(18) .
C1C C6C 1.35(2) .
C1C C2C 1.369(17) .
C2C C3C 1.36(2) .
C3C C4C 1.36(2) .
C4C C5C 1.38(2) .
C5C C6C 1.40(2) .
C1D C2D 1.347(18) .
C1D C6D 1.364(18) .
C2D C3D 1.41(2) .
C3D C4D 1.38(2) .
C4D C5D 1.35(2) .
C5D C6D 1.37(2) .
C1E C6E 1.362(18) .
C1E C2E 1.417(16) .
C2E C3E 1.382(19) .
C3E C4E 1.34(2) .
C4E C5E 1.36(2) .
C5E C6E 1.431(19) .
C1F C6F 1.345(18) .
C1F C2F 1.411(18) .
C2F C3F 1.333(19) .
C3F C4F 1.36(2) .
C4F C5F 1.42(2) .
C5F C6F 1.383(18) .
C1A C6A 1.33(2) .
C1A C2A 1.411(19) .
C2A C3A 1.34(2) .
C3A C4A 1.33(3) .
C4A C5A 1.37(3) .
C5A C6A 1.41(2) .
C1B C6B 1.36(2) .
C1B C2B 1.38(2) .
C2B C3B 1.36(2) .
C3B C4B 1.33(2) .
C4B C5B 1.37(2) .
C5B C6B 1.39(2) .
C1S Cl5 1.70(2) .
C1S Cl4 1.73(2) .
C1S Cl6 1.76(3) .
Cl1 C2S 1.735(19) .
Cl2 C2S 1.71(2) .
Cl3 C2S 1.757(19) .
C3S Cl8 1.744(18) .
C3S Cl9 1.749(18) .
C3S Cl7 1.754(17) .
Cl10 C4S 1.69(5) 2_676
Cl10 C4S 2.06(4) .
C4S Cl11 1.53(5) .
C4S Cl10 1.69(5) 2_676
