#------------------------------------------------------------------------------
#$Date: 2019-11-08 03:03:04 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224954 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/87/7058748.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_7058748
loop_
_publ_author_name
'Belyaev, Andrey'
'Kolesnikov, Ilya'
'Melnikov, Alexei S.'
'Gurzhiy, Vladislav V.'
'Tunik, Sergey P.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Solution versus solid-state dual emission of the Au(i)-alkynyl
 diphosphine complexes via modification of polyaromatic spacers
;
_journal_issue                   35
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13741
_journal_paper_doi               10.1039/C9NJ03426A
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C108 H76 Au4 P4, 4.52(C0.42 H0.84 Cl0.84)'
_chemical_formula_sum            'C109.91 H79.82 Au4 Cl3.82 P4'
_chemical_formula_weight         2447.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-03-21
_audit_creation_method
;
Olex2 1.2
(compiled 2014.03.12 svn.r2899 for OlexSys, GUI svn.r4796)
;
_audit_update_record
;
2015-03-17 deposited with the CCDC.    2019-08-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.121(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.6199(3)
_cell_length_b                   16.5507(2)
_cell_length_c                   20.7234(6)
_cell_measurement_reflns_used    9420
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8090
_cell_measurement_theta_min      3.0650
_cell_volume                     4920.27(19)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0047374000
_diffrn_orient_matrix_UB_12      0.0353727000
_diffrn_orient_matrix_UB_13      -0.0184075000
_diffrn_orient_matrix_UB_21      0.0112591000
_diffrn_orient_matrix_UB_22      -0.0241076000
_diffrn_orient_matrix_UB_23      -0.0256732000
_diffrn_orient_matrix_UB_31      -0.0479188000
_diffrn_orient_matrix_UB_32      -0.0021593000
_diffrn_orient_matrix_UB_33      -0.0147548000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_unetI/netI     0.0469
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            26402
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.657
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    6.160
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_description       prism
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.424
_refine_diff_density_min         -1.881
_refine_diff_density_rms         0.160
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     570
_refine_ls_number_reflns         10893
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0429P)²+15.0275P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0994
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8762
_reflns_number_total             10893
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj03426a2.cif
_cod_data_source_block           Complex_1
_cod_depositor_comments
'Adding full bibliography for 7058741--7058748.cif.'
_cod_database_code               7058748
_shelxl_version_number           2013-4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 Cl3-C56 = Cl4A-C56 = Cl4B-C56
 1.75 with sigma of 0.02
 Cl4A-C56
 1.8 with sigma of 0.02
 Cl4B-C56
 1.8 with sigma of 0.02
 Cl3-C56
 1.8 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(Cl3) = Uanis(C56) = Uanis(Cl4A) = Uanis(Cl4B)
4. Others
 Sof(Cl1)=Sof(Cl2)=Sof(C55)=Sof(H55A)=Sof(H55B)=FVAR(1)
 Sof(Cl4A)=Sof(Cl4B)=Sof(H56A)=Sof(H56B)=Sof(H56C)=Sof(H56D)=0.5*FVAR(3)
 Sof(Cl3)=Sof(C56)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C56(H56A,H56B), C56(H56C,H56D), C55(H55A,H55B)
5.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C10(H10), C11(H11), C12(H12), C13(H13),
 C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C28(H28), C29(H29), C30(H30), C31(H31), C32(H32),
 C34(H34), C35(H35), C36(H36), C37(H37), C38(H38), C44(H44), C45(H45), C46(H46),
  C47(H47), C48(H48), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.72846(2) 0.30075(2) 0.50670(2) 0.02482(7) Uani 1 1 d . . . .
Au2 Au 0.73605(2) 0.31973(2) 0.65605(2) 0.02460(7) Uani 1 1 d . . . .
P1 P 0.73462(10) 0.42126(8) 0.45457(8) 0.0206(3) Uani 1 1 d . . . .
P2 P 0.58230(10) 0.32762(8) 0.66104(8) 0.0197(3) Uani 1 1 d . . . .
C1 C 0.6249(4) 0.4788(3) 0.4382(3) 0.0182(11) Uani 1 1 d . . . .
C2 C 0.5546(4) 0.4564(3) 0.3836(3) 0.0198(12) Uani 1 1 d . . . .
C3 C 0.5532(4) 0.3797(3) 0.3527(3) 0.0217(12) Uani 1 1 d . . . .
H3 H 0.6005 0.3428 0.3679 0.026 Uiso 1 1 calc R . . .
C4 C 0.4839(4) 0.3587(3) 0.3010(3) 0.0222(12) Uani 1 1 d . . . .
H4 H 0.4848 0.3084 0.2810 0.027 Uiso 1 1 calc R . . .
C5 C 0.4112(4) 0.4135(3) 0.2780(3) 0.0246(13) Uani 1 1 d . . . .
H5 H 0.3631 0.3985 0.2439 0.029 Uiso 1 1 calc R . . .
C6 C 0.4106(4) 0.4885(3) 0.3054(3) 0.0226(12) Uani 1 1 d . . . .
H6 H 0.3623 0.5240 0.2893 0.027 Uiso 1 1 calc R . . .
C7 C 0.4825(4) 0.5134(3) 0.3583(3) 0.0178(11) Uani 1 1 d . . . .
C8 C 0.4841(4) 0.5911(3) 0.3865(3) 0.0194(12) Uani 1 1 d . . . .
C9 C 0.5380(4) 0.6043(3) 0.4493(3) 0.0196(11) Uani 1 1 d . . . .
C10 C 0.5253(4) 0.6734(3) 0.4883(3) 0.0209(12) Uani 1 1 d . . . .
H10 H 0.4791 0.7107 0.4720 0.025 Uiso 1 1 calc R . . .
C11 C 0.5792(4) 0.6856(3) 0.5487(3) 0.0243(13) Uani 1 1 d . . . .
H11 H 0.5700 0.7312 0.5729 0.029 Uiso 1 1 calc R . . .
C12 C 0.6493(4) 0.6294(3) 0.5750(3) 0.0249(13) Uani 1 1 d . . . .
H12 H 0.6866 0.6389 0.6160 0.030 Uiso 1 1 calc R . . .
C13 C 0.6631(4) 0.5612(3) 0.5410(3) 0.0217(12) Uani 1 1 d . . . .
H13 H 0.7074 0.5236 0.5600 0.026 Uiso 1 1 calc R . . .
C14 C 0.6102(4) 0.5471(3) 0.4764(3) 0.0194(11) Uani 1 1 d . . . .
C15 C 0.7637(4) 0.4037(3) 0.3733(3) 0.0217(12) Uani 1 1 d . . . .
C16 C 0.8135(4) 0.3341(4) 0.3644(3) 0.0285(14) Uani 1 1 d . . . .
H16 H 0.8287 0.2970 0.3984 0.034 Uiso 1 1 calc R . . .
C17 C 0.8405(5) 0.3200(4) 0.3047(4) 0.0355(16) Uani 1 1 d . . . .
H17 H 0.8737 0.2735 0.2992 0.043 Uiso 1 1 calc R . . .
C18 C 0.8186(4) 0.3744(4) 0.2533(3) 0.0362(16) Uani 1 1 d . . . .
H18 H 0.8363 0.3643 0.2133 0.043 Uiso 1 1 calc R . . .
C19 C 0.7700(5) 0.4444(4) 0.2622(3) 0.0380(16) Uani 1 1 d . . . .
H19 H 0.7564 0.4820 0.2283 0.046 Uiso 1 1 calc R . . .
C20 C 0.7417(4) 0.4586(4) 0.3211(3) 0.0318(14) Uani 1 1 d . . . .
H20 H 0.7078 0.5049 0.3261 0.038 Uiso 1 1 calc R . . .
C21 C 0.8241(4) 0.4929(3) 0.4914(3) 0.0242(12) Uani 1 1 d . . . .
C22 C 0.8311(4) 0.5681(4) 0.4625(4) 0.0355(16) Uani 1 1 d . . . .
H22 H 0.7913 0.5810 0.4232 0.043 Uiso 1 1 calc R . . .
C23 C 0.8969(5) 0.6239(5) 0.4916(4) 0.049(2) Uani 1 1 d . . . .
H23 H 0.9008 0.6741 0.4722 0.059 Uiso 1 1 calc R . . .
C24 C 0.9564(5) 0.6045(5) 0.5495(4) 0.050(2) Uani 1 1 d . . . .
H24 H 0.9999 0.6421 0.5697 0.060 Uiso 1 1 calc R . . .
C25 C 0.9516(5) 0.5303(5) 0.5773(4) 0.0458(19) Uani 1 1 d . . . .
H25 H 0.9930 0.5174 0.6159 0.055 Uiso 1 1 calc R . . .
C26 C 0.8854(4) 0.4731(4) 0.5488(3) 0.0350(15) Uani 1 1 d . . . .
H26 H 0.8828 0.4227 0.5681 0.042 Uiso 1 1 calc R . . .
C27 C 0.5669(4) 0.3443(3) 0.7457(3) 0.0222(12) Uani 1 1 d . . . .
C28 C 0.6419(4) 0.3308(3) 0.7976(3) 0.0282(14) Uani 1 1 d . . . .
H28 H 0.6995 0.3155 0.7889 0.034 Uiso 1 1 calc R . . .
C29 C 0.6309(5) 0.3400(4) 0.8618(3) 0.0349(16) Uani 1 1 d . . . .
H29 H 0.6813 0.3318 0.8961 0.042 Uiso 1 1 calc R . . .
C30 C 0.5430(5) 0.3618(3) 0.8752(3) 0.0345(16) Uani 1 1 d . . . .
H30 H 0.5352 0.3678 0.9184 0.041 Uiso 1 1 calc R . . .
C31 C 0.4701(4) 0.3739(3) 0.8248(3) 0.0278(14) Uani 1 1 d . . . .
H31 H 0.4122 0.3876 0.8337 0.033 Uiso 1 1 calc R . . .
C32 C 0.4808(4) 0.3662(3) 0.7604(3) 0.0259(13) Uani 1 1 d . . . .
H32 H 0.4303 0.3756 0.7265 0.031 Uiso 1 1 calc R . . .
C33 C 0.5159(4) 0.2349(3) 0.6418(3) 0.0241(13) Uani 1 1 d . . . .
C34 C 0.4176(4) 0.2333(3) 0.6301(3) 0.0248(13) Uani 1 1 d . . . .
H34 H 0.3842 0.2812 0.6292 0.030 Uiso 1 1 calc R . . .
C35 C 0.3710(5) 0.1602(4) 0.6200(3) 0.0331(15) Uani 1 1 d . . . .
H35 H 0.3062 0.1591 0.6115 0.040 Uiso 1 1 calc R . . .
C36 C 0.4204(5) 0.0890(4) 0.6224(4) 0.0397(17) Uani 1 1 d . . . .
H36 H 0.3888 0.0400 0.6161 0.048 Uiso 1 1 calc R . . .
C37 C 0.5167(5) 0.0900(3) 0.6340(4) 0.0389(17) Uani 1 1 d . . . .
H37 H 0.5495 0.0417 0.6351 0.047 Uiso 1 1 calc R . . .
C38 C 0.5646(5) 0.1623(3) 0.6440(3) 0.0310(14) Uani 1 1 d . . . .
H38 H 0.6294 0.1625 0.6523 0.037 Uiso 1 1 calc R . . .
C39 C 0.8781(4) 0.3131(4) 0.6688(3) 0.0294(14) Uani 1 1 d . . . .
C40 C 0.9564(5) 0.3049(4) 0.6848(4) 0.0364(16) Uani 1 1 d . . . .
C41 C 0.7237(5) 0.1855(4) 0.5361(3) 0.0367(16) Uani 1 1 d . . . .
C42 C 0.7273(5) 0.1155(4) 0.5485(3) 0.0381(17) Uani 1 1 d . . . .
C43 C 0.7326(6) 0.0294(4) 0.5620(4) 0.045(2) Uani 1 1 d . . . .
C44 C 0.8119(7) -0.0038(5) 0.6003(4) 0.059(2) Uani 1 1 d . . . .
H44 H 0.8617 0.0291 0.6186 0.071 Uiso 1 1 calc R . . .
C45 C 0.8164(8) -0.0885(5) 0.6111(5) 0.073(3) Uani 1 1 d . . . .
H45 H 0.8687 -0.1112 0.6376 0.088 Uiso 1 1 calc R . . .
C46 C 0.7431(8) -0.1370(5) 0.5823(5) 0.067(3) Uani 1 1 d . . . .
H46 H 0.7472 -0.1926 0.5889 0.081 Uiso 1 1 calc R . . .
C47 C 0.6650(7) -0.1051(5) 0.5445(4) 0.058(2) Uani 1 1 d . . . .
H47 H 0.6158 -0.1384 0.5257 0.070 Uiso 1 1 calc R . . .
C48 C 0.6595(7) -0.0227(4) 0.5342(4) 0.052(2) Uani 1 1 d . . . .
H48 H 0.6061 -0.0010 0.5082 0.062 Uiso 1 1 calc R . . .
C49 C 1.0563(4) 0.2892(4) 0.7074(3) 0.0313(14) Uani 1 1 d . . . .
C50 C 1.1226(5) 0.3445(5) 0.7000(4) 0.055(2) Uani 1 1 d . . . .
H50 H 1.1056 0.3939 0.6800 0.066 Uiso 1 1 calc R . . .
C51 C 1.2173(5) 0.3258(5) 0.7230(5) 0.057(2) Uani 1 1 d . . . .
H51 H 1.2622 0.3637 0.7175 0.068 Uiso 1 1 calc R . . .
C52 C 1.2444(5) 0.2576(4) 0.7516(4) 0.047(2) Uani 1 1 d . . . .
H52 H 1.3076 0.2474 0.7662 0.056 Uiso 1 1 calc R . . .
C53 C 1.1788(6) 0.2002(5) 0.7601(6) 0.080(4) Uani 1 1 d . . . .
H53 H 1.1974 0.1510 0.7801 0.096 Uiso 1 1 calc R . . .
C54 C 1.0850(6) 0.2171(5) 0.7386(6) 0.076(3) Uani 1 1 d . . . .
H54 H 1.0406 0.1794 0.7452 0.091 Uiso 1 1 calc R . . .
Cl3 Cl 0.9164(3) 0.2387(3) 0.5725(3) 0.0536(15) Uani 0.422(6) 1 d D P A .
Cl4A Cl 1.0626(6) 0.1493(5) 0.5739(5) 0.0536(15) Uani 0.211(3) 1 d D P A 1
Cl4B Cl 0.9622(6) 0.1757(5) 0.4412(5) 0.0536(15) Uani 0.211(3) 1 d D P A 2
C56 C 0.9612(10) 0.1717(9) 0.5227(6) 0.0536(15) Uani 0.422(6) 1 d D P . .
H56A H 0.9218 0.1245 0.5122 0.064 Uiso 0.211(3) 1 calc R P A 1
H56B H 0.9712 0.1970 0.4824 0.064 Uiso 0.211(3) 1 calc R P A 1
H56C H 1.0261 0.1654 0.5436 0.064 Uiso 0.211(3) 1 calc R P A 2
H56D H 0.9315 0.1205 0.5287 0.064 Uiso 0.211(3) 1 calc R P A 2
Cl1 Cl 0.8090(3) 0.4990(3) 0.8311(3) 0.0772(17) Uani 0.533(6) 1 d . P . .
Cl2 Cl 0.9777(3) 0.5006(3) 0.7767(3) 0.0744(16) Uani 0.533(6) 1 d . P . .
C55 C 0.8883(12) 0.4460(10) 0.8037(9) 0.070(5) Uani 0.533(6) 1 d . P . .
H55A H 0.8570 0.4130 0.7674 0.083 Uiso 0.533(6) 1 calc R P . .
H55B H 0.9171 0.4096 0.8384 0.083 Uiso 0.533(6) 1 calc R 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
P1 Au1 Au2 112.87(4) . .
C41 Au1 Au2 77.86(19) . .
C41 Au1 P1 169.2(2) . .
P2 Au2 Au1 101.91(4) . .
C39 Au2 Au1 87.92(18) . .
C39 Au2 P2 170.14(19) . .
C1 P1 Au1 115.33(18) . .
C15 P1 Au1 109.45(18) . .
C15 P1 C1 105.1(3) . .
C21 P1 Au1 117.6(2) . .
C21 P1 C1 105.7(2) . .
C21 P1 C15 102.3(3) . .
C8 P2 Au2 116.33(19) 3_666 .
C8 P2 C27 104.8(3) 3_666 .
C27 P2 Au2 110.92(19) . .
C33 P2 Au2 115.6(2) . .
C33 P2 C8 107.3(3) . 3_666
C33 P2 C27 100.3(3) . .
C2 C1 P1 118.8(4) . .
C14 C1 P1 122.0(4) . .
C14 C1 C2 119.1(5) . .
C1 C2 C7 119.1(5) . .
C3 C2 C1 122.4(5) . .
C3 C2 C7 118.5(5) . .
C2 C3 H3 119.2 . .
C4 C3 C2 121.5(5) . .
C4 C3 H3 119.2 . .
C3 C4 H4 120.1 . .
C3 C4 C5 119.8(5) . .
C5 C4 H4 120.1 . .
C4 C5 H5 119.7 . .
C6 C5 C4 120.7(5) . .
C6 C5 H5 119.7 . .
C5 C6 H6 119.3 . .
C5 C6 C7 121.3(5) . .
C7 C6 H6 119.3 . .
C6 C7 C2 118.1(5) . .
C8 C7 C2 119.7(5) . .
C8 C7 C6 122.2(5) . .
C7 C8 P2 118.7(4) . 3_666
C9 C8 P2 122.0(4) . 3_666
C9 C8 C7 119.2(5) . .
C8 C9 C10 122.4(5) . .
C8 C9 C14 119.7(5) . .
C10 C9 C14 117.8(5) . .
C9 C10 H10 119.2 . .
C11 C10 C9 121.5(5) . .
C11 C10 H10 119.2 . .
C10 C11 H11 119.8 . .
C10 C11 C12 120.3(5) . .
C12 C11 H11 119.8 . .
C11 C12 H12 119.6 . .
C13 C12 C11 120.9(5) . .
C13 C12 H12 119.6 . .
C12 C13 H13 119.6 . .
C12 C13 C14 120.8(5) . .
C14 C13 H13 119.6 . .
C1 C14 C9 118.8(5) . .
C1 C14 C13 122.7(5) . .
C13 C14 C9 118.6(5) . .
C16 C15 P1 118.2(5) . .
C16 C15 C20 118.7(6) . .
C20 C15 P1 123.1(4) . .
C15 C16 H16 119.9 . .
C17 C16 C15 120.2(6) . .
C17 C16 H16 119.9 . .
C16 C17 H17 119.5 . .
C18 C17 C16 120.9(6) . .
C18 C17 H17 119.5 . .
C17 C18 H18 120.4 . .
C17 C18 C19 119.2(6) . .
C19 C18 H18 120.4 . .
C18 C19 H19 119.8 . .
C20 C19 C18 120.4(6) . .
C20 C19 H19 119.8 . .
C15 C20 H20 119.7 . .
C19 C20 C15 120.6(6) . .
C19 C20 H20 119.7 . .
C22 C21 P1 120.6(5) . .
C26 C21 P1 120.0(5) . .
C26 C21 C22 119.4(6) . .
C21 C22 H22 119.6 . .
C23 C22 C21 120.7(6) . .
C23 C22 H22 119.6 . .
C22 C23 H23 120.2 . .
C24 C23 C22 119.6(7) . .
C24 C23 H23 120.2 . .
C23 C24 H24 119.9 . .
C25 C24 C23 120.1(7) . .
C25 C24 H24 119.9 . .
C24 C25 H25 119.4 . .
C24 C25 C26 121.2(7) . .
C26 C25 H25 119.4 . .
C21 C26 C25 118.9(6) . .
C21 C26 H26 120.6 . .
C25 C26 H26 120.6 . .
C28 C27 P2 119.4(5) . .
C28 C27 C32 118.5(6) . .
C32 C27 P2 122.0(4) . .
C27 C28 H28 119.8 . .
C29 C28 C27 120.4(6) . .
C29 C28 H28 119.8 . .
C28 C29 H29 120.1 . .
C28 C29 C30 119.8(6) . .
C30 C29 H29 120.1 . .
C29 C30 H30 120.1 . .
C31 C30 C29 119.7(6) . .
C31 C30 H30 120.1 . .
C30 C31 H31 119.6 . .
C30 C31 C32 120.9(6) . .
C32 C31 H31 119.6 . .
C27 C32 H32 119.7 . .
C31 C32 C27 120.7(6) . .
C31 C32 H32 119.7 . .
C34 C33 P2 122.4(4) . .
C38 C33 P2 118.3(5) . .
C38 C33 C34 119.1(5) . .
C33 C34 H34 120.1 . .
C35 C34 C33 119.8(5) . .
C35 C34 H34 120.1 . .
C34 C35 H35 119.9 . .
C36 C35 C34 120.2(6) . .
C36 C35 H35 119.9 . .
C35 C36 H36 119.8 . .
C35 C36 C37 120.4(6) . .
C37 C36 H36 119.8 . .
C36 C37 H37 119.8 . .
C38 C37 C36 120.3(6) . .
C38 C37 H37 119.8 . .
C33 C38 H38 119.9 . .
C37 C38 C33 120.1(6) . .
C37 C38 H38 119.9 . .
C40 C39 Au2 169.9(6) . .
C39 C40 C49 176.2(7) . .
C42 C41 Au1 172.5(7) . .
C41 C42 C43 178.5(8) . .
C44 C43 C42 120.5(7) . .
C44 C43 C48 118.5(7) . .
C48 C43 C42 120.9(7) . .
C43 C44 H44 120.3 . .
C43 C44 C45 119.4(9) . .
C45 C44 H44 120.3 . .
C44 C45 H45 120.1 . .
C46 C45 C44 119.8(9) . .
C46 C45 H45 120.1 . .
C45 C46 H46 119.4 . .
C47 C46 C45 121.3(8) . .
C47 C46 H46 119.4 . .
C46 C47 H47 120.3 . .
C46 C47 C48 119.3(9) . .
C48 C47 H47 120.3 . .
C43 C48 H48 119.2 . .
C47 C48 C43 121.7(9) . .
C47 C48 H48 119.2 . .
C50 C49 C40 122.1(6) . .
C50 C49 C54 118.2(6) . .
C54 C49 C40 119.7(6) . .
C49 C50 H50 120.3 . .
C49 C50 C51 119.3(7) . .
C51 C50 H50 120.3 . .
C50 C51 H51 118.8 . .
C52 C51 C50 122.5(7) . .
C52 C51 H51 118.8 . .
C51 C52 H52 120.1 . .
C51 C52 C53 119.7(7) . .
C53 C52 H52 120.1 . .
C52 C53 H53 120.5 . .
C54 C53 C52 119.1(8) . .
C54 C53 H53 120.5 . .
C49 C54 C53 121.2(8) . .
C49 C54 H54 119.4 . .
C53 C54 H54 119.4 . .
Cl3 C56 H56A 112.0 . .
Cl3 C56 H56B 112.0 . .
Cl3 C56 H56C 104.7 . .
Cl3 C56 H56D 104.7 . .
Cl4A C56 Cl3 98.8(7) . .
Cl4A C56 H56A 112.0 . .
Cl4A C56 H56B 112.0 . .
Cl4B C56 Cl3 130.4(9) . .
Cl4B C56 H56C 104.7 . .
Cl4B C56 H56D 104.7 . .
H56A C56 H56B 109.7 . .
H56C C56 H56D 105.7 . .
Cl1 C55 Cl2 116.9(10) . .
Cl1 C55 H55A 108.1 . .
Cl1 C55 H55B 108.1 . .
Cl2 C55 H55A 108.1 . .
Cl2 C55 H55B 108.1 . .
H55A C55 H55B 107.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Au2 3.0917(4) .
Au1 P1 2.2783(14) .
Au1 C41 2.007(6) .
Au2 P2 2.2737(15) .
Au2 C39 2.046(7) .
P1 C1 1.840(5) .
P1 C15 1.837(6) .
P1 C21 1.821(6) .
P2 C8 1.831(5) 3_666
P2 C27 1.832(6) .
P2 C33 1.818(6) .
C1 C2 1.424(7) .
C1 C14 1.419(7) .
C2 C3 1.421(7) .
C2 C7 1.436(7) .
C3 H3 0.9300 .
C3 C4 1.371(8) .
C4 H4 0.9300 .
C4 C5 1.408(8) .
C5 H5 0.9300 .
C5 C6 1.365(8) .
C6 H6 0.9300 .
C6 C7 1.425(7) .
C7 C8 1.412(7) .
C8 P2 1.831(5) 3_666
C8 C9 1.402(8) .
C9 C10 1.434(8) .
C9 C14 1.448(7) .
C10 H10 0.9300 .
C10 C11 1.360(8) .
C11 H11 0.9300 .
C11 C12 1.414(8) .
C12 H12 0.9300 .
C12 C13 1.365(8) .
C13 H13 0.9300 .
C13 C14 1.430(8) .
C15 C16 1.394(8) .
C15 C20 1.402(8) .
C16 H16 0.9300 .
C16 C17 1.387(10) .
C17 H17 0.9300 .
C17 C18 1.385(10) .
C18 H18 0.9300 .
C18 C19 1.390(9) .
C19 H19 0.9300 .
C19 C20 1.383(9) .
C20 H20 0.9300 .
C21 C22 1.393(8) .
C21 C26 1.384(8) .
C22 H22 0.9300 .
C22 C23 1.385(9) .
C23 H23 0.9300 .
C23 C24 1.377(11) .
C24 H24 0.9300 .
C24 C25 1.365(11) .
C25 H25 0.9300 .
C25 C26 1.399(9) .
C26 H26 0.9300 .
C27 C28 1.398(8) .
C27 C32 1.399(8) .
C28 H28 0.9300 .
C28 C29 1.377(9) .
C29 H29 0.9300 .
C29 C30 1.414(10) .
C30 H30 0.9300 .
C30 C31 1.354(9) .
C31 H31 0.9300 .
C31 C32 1.378(9) .
C32 H32 0.9300 .
C33 C34 1.411(8) .
C33 C38 1.392(8) .
C34 H34 0.9300 .
C34 C35 1.384(8) .
C35 H35 0.9300 .
C35 C36 1.378(9) .
C36 H36 0.9300 .
C36 C37 1.382(10) .
C37 H37 0.9300 .
C37 C38 1.382(8) .
C38 H38 0.9300 .
C39 C40 1.136(9) .
C40 C49 1.468(9) .
C41 C42 1.187(9) .
C42 C43 1.451(9) .
C43 C44 1.385(11) .
C43 C48 1.408(11) .
C44 H44 0.9300 .
C44 C45 1.419(11) .
C45 H45 0.9300 .
C45 C46 1.379(13) .
C46 H46 0.9300 .
C46 C47 1.362(13) .
C47 H47 0.9300 .
C47 C48 1.380(10) .
C48 H48 0.9300 .
C49 C50 1.363(10) .
C49 C54 1.383(10) .
C50 H50 0.9300 .
C50 C51 1.409(10) .
C51 H51 0.9300 .
C51 C52 1.300(10) .
C52 H52 0.9300 .
C52 C53 1.387(11) .
C53 H53 0.9300 .
C53 C54 1.386(11) .
C54 H54 0.9300 .
Cl3 C56 1.728(11) .
Cl4A C56 1.691(12) .
Cl4B C56 1.694(12) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C56 H56C 0.9700 .
C56 H56D 0.9700 .
Cl1 C55 1.640(19) .
Cl2 C55 1.766(18) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Au1 P1 C1 C2 -79.4(5) . .
Au1 P1 C1 C14 103.7(4) . .
Au1 P1 C15 C16 -25.9(5) . .
Au1 P1 C15 C20 157.0(4) . .
Au1 P1 C21 C22 -179.3(5) . .
Au1 P1 C21 C26 0.3(6) . .
Au2 P2 C27 C28 -15.5(5) . .
Au2 P2 C27 C32 167.9(4) . .
Au2 P2 C33 C34 -167.3(4) . .
Au2 P2 C33 C38 18.0(6) . .
P1 C1 C2 C3 18.3(7) . .
P1 C1 C2 C7 -161.3(4) . .
P1 C1 C14 C9 160.1(4) . .
P1 C1 C14 C13 -20.6(8) . .
P1 C15 C16 C17 -177.2(4) . .
P1 C15 C20 C19 176.2(5) . .
P1 C21 C22 C23 177.6(6) . .
P1 C21 C26 C25 -177.9(5) . .
P2 C8 C9 C10 18.3(8) 3_666 .
P2 C8 C9 C14 -161.2(4) 3_666 .
P2 C27 C28 C29 -177.6(4) . .
P2 C27 C32 C31 176.4(4) . .
P2 C33 C34 C35 -175.7(5) . .
P2 C33 C38 C37 175.7(5) . .
C1 P1 C15 C16 -150.3(4) . .
C1 P1 C15 C20 32.6(5) . .
C1 P1 C21 C22 -48.9(6) . .
C1 P1 C21 C26 130.7(5) . .
C1 C2 C3 C4 178.7(5) . .
C1 C2 C7 C6 -177.3(5) . .
C1 C2 C7 C8 1.8(8) . .
C2 C1 C14 C9 -16.8(8) . .
C2 C1 C14 C13 162.5(5) . .
C2 C3 C4 C5 -0.9(9) . .
C2 C7 C8 P2 160.1(4) . 3_666
C2 C7 C8 C9 -18.3(8) . .
C3 C2 C7 C6 3.1(8) . .
C3 C2 C7 C8 -177.8(5) . .
C3 C4 C5 C6 2.2(9) . .
C4 C5 C6 C7 -0.7(9) . .
C5 C6 C7 C2 -2.0(8) . .
C5 C6 C7 C8 178.9(6) . .
C6 C7 C8 P2 -20.8(7) . 3_666
C6 C7 C8 C9 160.8(5) . .
C7 C2 C3 C4 -1.7(8) . .
C7 C8 C9 C10 -163.4(5) . .
C7 C8 C9 C14 17.1(8) . .
C8 P2 C27 C28 -141.8(4) 3_666 .
C8 P2 C27 C32 41.6(5) 3_666 .
C8 P2 C33 C34 -35.7(6) 3_666 .
C8 P2 C33 C38 149.6(5) 3_666 .
C8 C9 C10 C11 -179.1(5) . .
C8 C9 C14 C1 0.4(8) . .
C8 C9 C14 C13 -178.9(5) . .
C9 C10 C11 C12 -0.6(9) . .
C10 C9 C14 C1 -179.1(5) . .
C10 C9 C14 C13 1.6(8) . .
C10 C11 C12 C13 -1.2(9) . .
C11 C12 C13 C14 3.2(9) . .
C12 C13 C14 C1 177.3(5) . .
C12 C13 C14 C9 -3.4(8) . .
C14 C1 C2 C3 -164.7(5) . .
C14 C1 C2 C7 15.7(8) . .
C14 C9 C10 C11 0.4(8) . .
C15 P1 C1 C2 41.2(5) . .
C15 P1 C1 C14 -135.7(5) . .
C15 P1 C21 C22 60.8(6) . .
C15 P1 C21 C26 -119.6(5) . .
C15 C16 C17 C18 0.0(9) . .
C16 C15 C20 C19 -0.8(9) . .
C16 C17 C18 C19 0.8(10) . .
C17 C18 C19 C20 -1.6(10) . .
C18 C19 C20 C15 1.7(10) . .
C20 C15 C16 C17 0.0(8) . .
C21 P1 C1 C2 149.0(4) . .
C21 P1 C1 C14 -28.0(5) . .
C21 P1 C15 C16 99.5(5) . .
C21 P1 C15 C20 -77.6(5) . .
C21 C22 C23 C24 0.5(12) . .
C22 C21 C26 C25 1.7(10) . .
C22 C23 C24 C25 1.1(12) . .
C23 C24 C25 C26 -1.4(12) . .
C24 C25 C26 C21 -0.1(11) . .
C26 C21 C22 C23 -1.9(10) . .
C27 P2 C33 C34 73.4(5) . .
C27 P2 C33 C38 -101.3(5) . .
C27 C28 C29 C30 1.1(9) . .
C28 C27 C32 C31 -0.3(8) . .
C28 C29 C30 C31 -0.3(9) . .
C29 C30 C31 C32 -0.8(9) . .
C30 C31 C32 C27 1.1(8) . .
C32 C27 C28 C29 -0.8(8) . .
C33 P2 C27 C28 107.1(5) . .
C33 P2 C27 C32 -69.5(5) . .
C33 C34 C35 C36 1.1(10) . .
C34 C33 C38 C37 0.8(10) . .
C34 C35 C36 C37 -0.9(11) . .
C35 C36 C37 C38 0.6(11) . .
C36 C37 C38 C33 -0.6(11) . .
C38 C33 C34 C35 -1.1(9) . .
C40 C49 C50 C51 179.8(8) . .
C40 C49 C54 C53 179.6(10) . .
C42 C43 C44 C45 -178.1(8) . .
C42 C43 C48 C47 177.4(7) . .
C43 C44 C45 C46 1.6(14) . .
C44 C43 C48 C47 0.4(12) . .
C44 C45 C46 C47 -1.4(15) . .
C45 C46 C47 C48 0.7(14) . .
C46 C47 C48 C43 -0.2(13) . .
C48 C43 C44 C45 -1.1(12) . .
C49 C50 C51 C52 -0.4(15) . .
C50 C49 C54 C53 -1.9(16) . .
C50 C51 C52 C53 0.1(16) . .
C51 C52 C53 C54 -0.7(17) . .
C52 C53 C54 C49 1.6(18) . .
C54 C49 C50 C51 1.2(13) . .
