#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:40:09 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179983 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/77/7027714.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027714
loop_
_publ_author_name
'Bella, Pedro A.'
'Crespo, Olga'
'Fernández, Eduardo J.'
'Fischer, Axel K.'
'Jones, Peter G.'
'Laguna, Antonio'
'López-de-Luzuriaga, José M.'
'Monge, Miguel'
_publ_section_title
;
 Gold complexes of 3,4-bis(diphenylphosphinoamino)toluene and
 1,2-bis(diphenylphosphinoamino)benzene. A comparative
 study †
;
_journal_issue                   22
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4009
_journal_paper_doi               10.1039/a905857e
_journal_year                    1999
_chemical_formula_sum            'C72 H35 Au2 Cl4 F30 N2 P2 S2'
_chemical_formula_weight         2159.81
_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                104.44(2)
_cell_angle_beta                 104.18(2)
_cell_angle_gamma                90.93(2)
_cell_formula_units_Z            2
_cell_length_a                   13.651(2)
_cell_length_b                   16.877(2)
_cell_length_c                   17.226(2)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     3713.5(10)
_computing_cell_refinement       'Siemens SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens SAINT'
_computing_molecular_graphics    'Siemens XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Siemens SMART'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1145
_diffrn_reflns_av_sigmaI/netI    0.3051
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18143
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.25
_exptl_absorpt_coefficient_mu    4.310
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.352
_exptl_absorpt_correction_type   'multiple scans (SADABS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.932
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             2078
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.132
_refine_diff_density_min         -2.118
_refine_diff_density_rms         0.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         12491
_refine_ls_number_restraints     166
_refine_ls_restrained_S_all      0.933
_refine_ls_R_factor_all          0.2037
_refine_ls_R_factor_gt           0.0939
_refine_ls_shift/su_max          1.721
_refine_ls_shift/su_mean         0.030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0444P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1925
_refine_ls_wR_factor_ref         0.2291
_reflns_number_gt                5242
_reflns_number_total             12491
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            905857esup1.cif
_cod_data_source_block           mno126
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26 (16
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26 (26 times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3713.5(8)
_cod_database_code               7027714
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 0.10164(6) 0.22379(5) 0.35270(5) 0.0281(3) Uani 1 1 d .
Au2 Au 0.65085(7) 0.26828(6) 0.16299(5) 0.0282(3) Uani 1 1 d .
P1 P 0.1564(4) 0.1967(4) 0.1580(3) 0.0282(14) Uani 1 1 d .
P2 P 0.5931(4) 0.2182(4) 0.3369(3) 0.0274(14) Uani 1 1 d .
S1 S 0.0486(4) 0.2399(4) 0.2142(3) 0.0309(14) Uani 1 1 d .
S2 S 0.6989(4) 0.2837(4) 0.3099(3) 0.0320(14) Uani 1 1 d .
N1 N 0.2756(12) 0.2205(10) 0.2131(9) 0.027(4) Uiso 1 1 d .
H1 H 0.3130 0.1788 0.2155 0.033 Uiso 1 1 calc R
N2 N 0.4717(13) 0.2295(11) 0.2947(10) 0.032(4) Uiso 1 1 d .
H2 H 0.4324 0.1852 0.2645 0.038 Uiso 1 1 calc R
C11 C 0.3256(16) 0.2990(13) 0.2569(11) 0.030(5) Uiso 1 1 d D
C12 C 0.4270(17) 0.3076(14) 0.3045(12) 0.038(6) Uiso 1 1 d D
C13 C 0.4753(18) 0.3855(14) 0.3518(12) 0.044(6) Uiso 1 1 d D
H13 H 0.5438 0.3886 0.3828 0.052 Uiso 1 1 calc R
C14 C 0.4286(18) 0.4556(15) 0.3551(13) 0.040(6) Uiso 1 1 d D
C15 C 0.3293(18) 0.4506(14) 0.3084(13) 0.043(6) Uiso 1 1 d D
H15 H 0.2959 0.4996 0.3086 0.051 Uiso 1 1 calc R
C16 C 0.2751(18) 0.3733(14) 0.2596(13) 0.041(6) Uiso 1 1 d D
H16 H 0.2064 0.3714 0.2294 0.049 Uiso 1 1 calc R
C17 C 0.485(2) 0.5372(18) 0.4038(16) 0.068(8) Uiso 1 1 d D
C21 C 0.1407(12) 0.2359(11) 0.0706(12) 0.030(5) Uiso 1 1 d D
C22 C 0.0475(15) 0.2614(11) 0.0348(11) 0.038(6) Uiso 1 1 d D
H22 H -0.0054 0.2640 0.0621 0.045 Uiso 1 1 calc R
C23 C 0.0309(18) 0.2827(13) -0.0384(13) 0.052(7) Uiso 1 1 d D
H23 H -0.0329 0.3003 -0.0615 0.063 Uiso 1 1 calc R
C24 C 0.1072(15) 0.2787(16) -0.0790(16) 0.064(8) Uiso 1 1 d D
H24 H 0.0961 0.2939 -0.1298 0.077 Uiso 1 1 calc R
C25 C 0.2001(18) 0.2522(15) -0.0455(14) 0.055(7) Uiso 1 1 d D
H25 H 0.2522 0.2487 -0.0738 0.066 Uiso 1 1 calc R
C26 C 0.2168(17) 0.2312(14) 0.0285(13) 0.048(7) Uiso 1 1 d D
H26 H 0.2806 0.2134 0.0512 0.058 Uiso 1 1 calc R
C31 C 0.1492(11) 0.0868(12) 0.1243(10) 0.022(5) Uiso 1 1 d D
C32 C 0.2322(16) 0.0486(12) 0.1062(10) 0.041(6) Uiso 1 1 d D
H32 H 0.2938 0.0795 0.1130 0.050 Uiso 1 1 calc R
C33 C 0.2230(16) -0.0392(12) 0.0769(11) 0.039(6) Uiso 1 1 d D
H33 H 0.2797 -0.0661 0.0636 0.047 Uiso 1 1 calc R
C34 C 0.1323(12) -0.0875(14) 0.0669(12) 0.032(5) Uiso 1 1 d D
H34 H 0.1278 -0.1458 0.0505 0.039 Uiso 1 1 calc R
C35 C 0.0486(15) -0.0431(12) 0.0830(12) 0.038(6) Uiso 1 1 d D
H35 H -0.0152 -0.0725 0.0728 0.046 Uiso 1 1 calc R
C36 C 0.0571(15) 0.0451(12) 0.1142(11) 0.033(5) Uiso 1 1 d D
H36 H 0.0013 0.0735 0.1273 0.040 Uiso 1 1 calc R
C41 C 0.1073(9) 0.0968(13) 0.3189(10) 0.034(6) Uiso 1 1 d D
C42 C 0.1931(13) 0.0569(11) 0.3107(8) 0.030(6) Uiso 1 1 d D
C43 C 0.1962(15) -0.0285(12) 0.2890(10) 0.039(6) Uiso 1 1 d D
C44 C 0.1079(10) -0.0765(16) 0.2756(14) 0.044(7) Uiso 1 1 d D
C45 C 0.0195(15) -0.0401(11) 0.2828(12) 0.036(6) Uiso 1 1 d D
C46 C 0.0214(13) 0.0456(10) 0.3047(10) 0.021(5) Uiso 1 1 d D
F1 F 0.2795(8) 0.1026(7) 0.3221(7) 0.037(3) Uani 1 1 d D
F2 F 0.2826(10) -0.0600(8) 0.2810(8) 0.053(4) Uani 1 1 d D
F3 F 0.1081(11) -0.1570(9) 0.2535(9) 0.060(4) Uani 1 1 d D
F4 F -0.0656(9) -0.0863(8) 0.2684(9) 0.058(4) Uani 1 1 d D
F5 F -0.0677(8) 0.0784(7) 0.3090(7) 0.037(3) Uani 1 1 d D
C51 C 0.0978(10) 0.3492(13) 0.3927(10) 0.035(6) Uiso 1 1 d D
C52 C 0.1843(15) 0.4008(12) 0.4360(9) 0.047(7) Uiso 1 1 d D
C53 C 0.1849(15) 0.4882(12) 0.4614(11) 0.047(7) Uiso 1 1 d D
C54 C 0.0942(10) 0.5205(16) 0.4388(13) 0.043(6) Uiso 1 1 d D
C55 C 0.0050(15) 0.4746(11) 0.3956(12) 0.036(6) Uiso 1 1 d D
C56 C 0.0089(13) 0.3880(11) 0.3762(11) 0.024(5) Uiso 1 1 d D
F6 F 0.2732(9) 0.3684(8) 0.4560(7) 0.047(4) Uani 1 1 d D
F7 F 0.2683(10) 0.5313(8) 0.5039(9) 0.072(5) Uani 1 1 d D
F8 F 0.0915(12) 0.6008(9) 0.4637(9) 0.071(5) Uani 1 1 d D
F9 F -0.0812(10) 0.5060(8) 0.3802(8) 0.059(4) Uani 1 1 d D
F10 F -0.0778(9) 0.3420(7) 0.3359(7) 0.044(4) Uani 1 1 d D
C61 C 0.1328(10) 0.2210(10) 0.4745(12) 0.028(5) Uiso 1 1 d D
C62 C 0.0572(14) 0.2283(9) 0.5153(11) 0.040(6) Uiso 1 1 d D
C63 C 0.0753(15) 0.2278(10) 0.5990(12) 0.046(7) Uiso 1 1 d D
C64 C 0.1723(10) 0.2206(14) 0.6398(15) 0.047(7) Uiso 1 1 d D
C65 C 0.2507(15) 0.2129(14) 0.6026(12) 0.041(6) Uiso 1 1 d D
C66 C 0.2281(14) 0.2132(12) 0.5193(11) 0.030(5) Uiso 1 1 d D
F11 F -0.0386(9) 0.2339(9) 0.4744(8) 0.058(4) Uani 1 1 d D
F12 F -0.0016(11) 0.2344(10) 0.6342(9) 0.078(5) Uani 1 1 d D
F13 F 0.1939(11) 0.2184(8) 0.7200(8) 0.062(4) Uani 1 1 d D
F14 F 0.3442(10) 0.2057(9) 0.6426(8) 0.060(4) Uani 1 1 d D
F15 F 0.3049(9) 0.2040(8) 0.4828(7) 0.049(4) Uani 1 1 d D
C71 C 0.5968(11) 0.1095(12) 0.3047(10) 0.025(5) Uiso 1 1 d D
C72 C 0.6898(15) 0.0747(12) 0.3024(10) 0.037(6) Uiso 1 1 d D
H72 H 0.7489 0.1097 0.3112 0.045 Uiso 1 1 calc R
C73 C 0.6968(15) -0.0054(12) 0.2885(10) 0.033(6) Uiso 1 1 d D
H73 H 0.7612 -0.0262 0.2889 0.039 Uiso 1 1 calc R
C74 C 0.6153(12) -0.0586(14) 0.2737(12) 0.036(6) Uiso 1 1 d D
H74 H 0.6216 -0.1161 0.2629 0.044 Uiso 1 1 calc R
C75 C 0.5249(15) -0.0282(12) 0.2747(12) 0.036(6) Uiso 1 1 d D
H75 H 0.4668 -0.0653 0.2629 0.043 Uiso 1 1 calc R
C76 C 0.5140(15) 0.0529(11) 0.2918(11) 0.030(5) Uiso 1 1 d D
H76 H 0.4497 0.0721 0.2953 0.035 Uiso 1 1 calc R
C81 C 0.6150(13) 0.2470(11) 0.4481(13) 0.029(6) Uiso 1 1 d D
C82 C 0.7111(18) 0.2665(11) 0.4978(13) 0.053(7) Uiso 1 1 d D
H82 H 0.7652 0.2723 0.4734 0.064 Uiso 1 1 calc R
C83 C 0.7328(19) 0.2783(13) 0.5851(13) 0.057(7) Uiso 1 1 d D
H83 H 0.8003 0.2919 0.6186 0.068 Uiso 1 1 calc R
C84 C 0.6545(15) 0.2696(14) 0.6202(17) 0.059(8) Uiso 1 1 d D
H84 H 0.6679 0.2770 0.6785 0.071 Uiso 1 1 calc R
C85 C 0.5575(19) 0.2505(15) 0.5719(14) 0.057(8) Uiso 1 1 d D
H85 H 0.5030 0.2463 0.5963 0.069 Uiso 1 1 calc R
C86 C 0.5390(18) 0.2370(14) 0.4844(13) 0.054(7) Uiso 1 1 d D
H86 H 0.4720 0.2206 0.4505 0.065 Uiso 1 1 calc R
C91 C 0.6222(9) 0.2650(9) 0.0403(12) 0.026(5) Uiso 1 1 d D
C92 C 0.5248(13) 0.2627(8) -0.0063(10) 0.026(5) Uiso 1 1 d D
C93 C 0.5037(15) 0.2578(10) -0.0907(11) 0.042(6) Uiso 1 1 d D
C94 C 0.5828(10) 0.2546(13) -0.1271(14) 0.041(6) Uiso 1 1 d D
C95 C 0.6811(15) 0.2583(14) -0.0814(12) 0.042(7) Uiso 1 1 d D
C96 C 0.6997(14) 0.2618(13) 0.0028(11) 0.033(6) Uiso 1 1 d D
F16 F 0.7969(9) 0.2654(9) 0.0447(8) 0.054(4) Uani 1 1 d D
F17 F 0.7575(10) 0.2556(9) -0.1186(9) 0.068(5) Uani 1 1 d D
F18 F 0.5625(11) 0.2496(9) -0.2105(7) 0.060(4) Uani 1 1 d D
F19 F 0.4083(10) 0.2557(9) -0.1357(7) 0.057(4) Uani 1 1 d D
F20 F 0.4460(8) 0.2645(7) 0.0269(7) 0.039(3) Uani 1 1 d D
C101 C 0.6461(9) 0.1434(13) 0.1294(10) 0.028(5) Uiso 1 1 d D
C102 C 0.5593(13) 0.0920(11) 0.1131(8) 0.029(5) Uiso 1 1 d D
C103 C 0.5551(13) 0.0106(10) 0.0947(9) 0.028(5) Uiso 1 1 d D
C104 C 0.6430(9) -0.0307(14) 0.0899(13) 0.035(6) Uiso 1 1 d D
C105 C 0.7326(13) 0.0191(11) 0.1052(12) 0.029(5) Uiso 1 1 d D
C106 C 0.7321(14) 0.1007(11) 0.1231(12) 0.032(6) Uiso 1 1 d D
F21 F 0.4696(8) 0.1257(7) 0.1170(7) 0.042(3) Uani 1 1 d D
F22 F 0.4686(9) -0.0381(7) 0.0808(7) 0.039(3) Uani 1 1 d D
F23 F 0.6419(10) -0.1138(8) 0.0713(7) 0.050(4) Uani 1 1 d D
F24 F 0.8191(10) -0.0192(9) 0.1033(8) 0.055(4) Uani 1 1 d D
F25 F 0.8238(9) 0.1451(7) 0.1419(8) 0.046(4) Uani 1 1 d D
C111 C 0.6499(10) 0.3958(14) 0.1881(10) 0.040(6) Uiso 1 1 d D
C112 C 0.7339(17) 0.4432(13) 0.2051(9) 0.058(8) Uiso 1 1 d D
C113 C 0.7326(18) 0.5322(14) 0.2277(11) 0.064(8) Uiso 1 1 d D
C114 C 0.6464(11) 0.5648(19) 0.2323(16) 0.062(8) Uiso 1 1 d D
C115 C 0.5623(18) 0.5180(14) 0.2173(14) 0.054(8) Uiso 1 1 d D
C116 C 0.5634(17) 0.4291(13) 0.1909(14) 0.052(7) Uiso 1 1 d D
F26 F 0.8231(11) 0.4121(9) 0.2021(9) 0.064(4) Uani 1 1 d D
F27 F 0.8215(13) 0.5788(10) 0.2443(10) 0.097(6) Uani 1 1 d D
F28 F 0.6433(14) 0.6476(9) 0.2521(10) 0.093(6) Uani 1 1 d D
F29 F 0.4711(13) 0.5512(10) 0.2176(9) 0.091(7) Uani 1 1 d D
F30 F 0.4734(11) 0.3861(8) 0.1722(8) 0.059(4) Uani 1 1 d D
C198 C 0.028(7) 0.556(2) 0.235(5) 0.48(7) Uiso 1 1 d D
Cl1 Cl 0.0465(17) 0.4630(13) 0.1576(13) 0.290(10) Uiso 1 1 d D
Cl2 Cl 0.1128(13) 0.6256(10) 0.2077(10) 0.212(7) Uiso 1 1 d D
C199 C 0.717(2) 0.514(3) -0.059(3) 0.19(2) Uiso 1 1 d D
Cl3 Cl 0.8143(17) 0.4727(14) 0.0104(14) 0.307(11) Uiso 1 1 d D
Cl4 Cl 0.6194(12) 0.5202(10) 0.0000(9) 0.199(6) Uiso 1 1 d D
C195 C -0.0734(9) 0.0077(17) 0.4923(16) 0.068(8) Uiso 1 1 d D
C196 C -0.2099(16) 0.037(2) 0.508(2) 0.098(11) Uiso 1 1 d D
C197 C -0.353(2) 0.0055(19) 0.5067(18) 0.079(9) Uiso 1 1 d D
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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_publ_flag
C61 Au1 C51 87.7(6) . y
C61 Au1 C41 89.2(6) . y
C51 Au1 C41 176.9(6) . y
C61 Au1 S1 172.3(4) . y
C51 Au1 S1 86.5(4) . y
C41 Au1 S1 96.5(4) . y
C91 Au2 C101 88.1(6) . y
C91 Au2 C111 87.8(6) . y
C101 Au2 C111 175.6(6) . y
C91 Au2 S2 173.7(4) . y
C101 Au2 S2 96.2(4) . y
C111 Au2 S2 88.0(5) . y
N1 P1 C21 107.7(8) . y
N1 P1 C31 102.8(8) . y
C21 P1 C31 108.6(8) . y
N1 P1 S1 117.0(6) . y
C21 P1 S1 106.8(6) . y
C31 P1 S1 113.7(6) . y
N2 P2 C71 101.6(8) . y
N2 P2 C81 108.5(8) . y
C71 P2 C81 107.6(8) . y
N2 P2 S2 117.0(7) . y
C71 P2 S2 114.9(6) . y
C81 P2 S2 106.9(7) . y
P1 S1 Au1 106.3(3) . y
P2 S2 Au2 107.4(3) . y
C11 N1 P1 128.8(14) . ?
C12 N2 P2 124.3(16) . ?
N1 C11 C12 121.1(18) . ?
N1 C11 C16 122.5(19) . ?
C12 C11 C16 116(2) . ?
C11 C12 C13 121(2) . ?
C11 C12 N2 111.6(19) . ?
C13 C12 N2 127(2) . ?
C14 C13 C12 123(2) . ?
C13 C14 C15 118(2) . ?
C13 C14 C17 121(2) . ?
C15 C14 C17 121(2) . ?
C14 C15 C16 122(2) . ?
C11 C16 C15 120(2) . ?
C22 C21 C26 118(2) . ?
C22 C21 P1 120.9(14) . ?
C26 C21 P1 120.3(14) . ?
C23 C22 C21 121.4(19) . ?
C22 C23 C24 120(2) . ?
C23 C24 C25 120(3) . ?
C26 C25 C24 120(2) . ?
C25 C26 C21 120.6(19) . ?
C32 C31 C36 123(2) . ?
C32 C31 P1 119.5(14) . ?
C36 C31 P1 117.0(13) . ?
C31 C32 C33 118.2(19) . ?
C34 C33 C32 122.4(19) . ?
C33 C34 C35 116(2) . ?
C34 C35 C36 122.3(18) . ?
C31 C36 C35 117.7(17) . ?
C46 C41 C42 115(2) . ?
C46 C41 Au1 120.2(12) . ?
C42 C41 Au1 125.1(13) . ?
F1 C42 C41 118.1(16) . ?
F1 C42 C43 117.3(15) . ?
C41 C42 C43 124.6(18) . ?
F2 C43 C44 122.6(19) . ?
F2 C43 C42 119.2(17) . ?
C44 C43 C42 118.2(19) . ?
F3 C44 C43 119.4(16) . ?
F3 C44 C45 120.6(16) . ?
C43 C44 C45 120(2) . ?
F4 C45 C44 119.9(18) . ?
F4 C45 C46 121.0(16) . ?
C44 C45 C46 119.1(19) . ?
F5 C46 C41 119.5(16) . ?
F5 C46 C45 116.9(15) . ?
C41 C46 C45 123.6(17) . ?
C52 C51 C56 115(2) . ?
C52 C51 Au1 122.2(12) . ?
C56 C51 Au1 122.4(13) . ?
F6 C52 C51 119.5(17) . ?
F6 C52 C53 117.0(17) . ?
C51 C52 C53 123.5(18) . ?
F7 C53 C54 124.2(19) . ?
F7 C53 C52 119.4(17) . ?
C54 C53 C52 116.4(19) . ?
F8 C54 C53 117.9(16) . ?
F8 C54 C55 117.8(15) . ?
C53 C54 C55 124(2) . ?
F9 C55 C54 123.1(18) . ?
F9 C55 C56 120.2(17) . ?
C54 C55 C56 116.3(18) . ?
F10 C56 C51 118.8(16) . ?
F10 C56 C55 117.2(15) . ?
C51 C56 C55 123.9(17) . ?
C66 C61 C62 117(2) . ?
C66 C61 Au1 122.6(12) . ?
C62 C61 Au1 120.5(12) . ?
F11 C62 C61 120.0(16) . ?
F11 C62 C63 117.5(17) . ?
C61 C62 C63 122.4(18) . ?
F12 C63 C64 123.6(18) . ?
F12 C63 C62 119.1(17) . ?
C64 C63 C62 117.3(19) . ?
F13 C64 C63 119.9(16) . ?
F13 C64 C65 117.2(15) . ?
C63 C64 C65 123(2) . ?
F14 C65 C64 122.4(18) . ?
F14 C65 C66 120.4(17) . ?
C64 C65 C66 117.2(18) . ?
F15 C66 C61 120.0(16) . ?
F15 C66 C65 116.8(15) . ?
C61 C66 C65 123.2(17) . ?
C76 C71 C72 115.0(19) . ?
C76 C71 P2 124.0(13) . ?
C72 C71 P2 120.4(14) . ?
C73 C72 C71 121.7(19) . ?
C72 C73 C74 122(2) . ?
C75 C74 C73 118(2) . ?
C76 C75 C74 122(2) . ?
C75 C76 C71 120.6(18) . ?
C82 C81 C86 118(2) . ?
C82 C81 P2 120.4(15) . ?
C86 C81 P2 120.9(16) . ?
C81 C82 C83 122(2) . ?
C84 C83 C82 119(2) . ?
C85 C84 C83 120(3) . ?
C84 C85 C86 119(2) . ?
C81 C86 C85 122(2) . ?
C96 C91 C92 119(2) . ?
C96 C91 Au2 120.3(12) . ?
C92 C91 Au2 120.6(12) . ?
F20 C92 C91 121.6(15) . ?
F20 C92 C93 117.1(15) . ?
C91 C92 C93 121.3(17) . ?
F19 C93 C94 120.5(17) . ?
F19 C93 C92 120.8(16) . ?
C94 C93 C92 118.6(18) . ?
C95 C94 C93 121(2) . ?
C95 C94 F18 119.9(15) . ?
C93 C94 F18 119.0(14) . ?
F17 C95 C94 119.9(17) . ?
F17 C95 C96 121.1(17) . ?
C94 C95 C96 118.9(19) . ?
F16 C96 C91 122.3(16) . ?
F16 C96 C95 116.7(16) . ?
C91 C96 C95 120.9(17) . ?
C102 C101 C106 113(2) . ?
C102 C101 Au2 124.1(12) . ?
C106 C101 Au2 122.8(12) . ?
C103 C102 F21 115.7(16) . ?
C103 C102 C101 125.2(17) . ?
F21 C102 C101 119.1(16) . ?
C102 C103 F22 123.6(16) . ?
C102 C103 C104 120.6(18) . ?
F22 C103 C104 115.8(16) . ?
F23 C104 C105 121.5(14) . ?
F23 C104 C103 122.4(15) . ?
C105 C104 C103 116(2) . ?
C106 C105 F24 122.0(16) . ?
C106 C105 C104 120.7(17) . ?
F24 C105 C104 117.2(17) . ?
C105 C106 F25 117.1(16) . ?
C105 C106 C101 124.4(18) . ?
F25 C106 C101 118.4(16) . ?
C112 C111 C116 120(3) . ?
C112 C111 Au2 121.3(16) . ?
C116 C111 Au2 118.8(15) . ?
C111 C112 F26 122(2) . ?
C111 C112 C113 120(2) . ?
F26 C112 C113 117.6(19) . ?
C114 C113 F27 122(2) . ?
C114 C113 C112 119(2) . ?
F27 C113 C112 118(2) . ?
C115 C114 C113 121(3) . ?
C115 C114 F28 119.1(19) . ?
C113 C114 F28 120(2) . ?
C114 C115 F29 121(2) . ?
C114 C115 C116 120(2) . ?
F29 C115 C116 118.8(19) . ?
C111 C116 F30 124(2) . ?
C111 C116 C115 120(2) . ?
F30 C116 C115 115.8(18) . ?
Cl2 C198 Cl1 95(3) . ?
Cl3 C199 Cl4 98(2) . ?
C195 C195 C196 165(3) 2_556 ?
C195 C196 C197 152(2) . ?
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
Au1 C61 2.048(19) . y
Au1 C51 2.06(2) . y
Au1 C41 2.08(2) . y
Au1 S1 2.403(5) . y
Au2 C91 2.039(19) . y
Au2 C101 2.04(2) . y
Au2 C111 2.09(2) . y
Au2 S2 2.400(5) . y
P1 N1 1.655(17) . y
P1 C21 1.76(2) . y
P1 C31 1.79(2) . y
P1 S1 2.005(8) . y
P2 N2 1.674(17) . y
P2 C71 1.78(2) . y
P2 C81 1.80(2) . y
P2 S2 2.013(8) . y
N1 C11 1.42(3) . ?
N2 C12 1.45(2) . ?
C11 C12 1.41(3) . ?
C11 C16 1.44(3) . ?
C12 C13 1.42(3) . ?
C13 C14 1.35(3) . ?
C14 C15 1.39(3) . ?
C14 C17 1.50(4) . ?
C15 C16 1.44(3) . ?
C21 C22 1.396(19) . ?
C21 C26 1.40(2) . ?
C22 C23 1.36(2) . ?
C23 C24 1.38(2) . ?
C24 C25 1.39(2) . ?
C25 C26 1.37(2) . ?
C31 C32 1.376(19) . ?
C31 C36 1.38(2) . ?
C32 C33 1.43(2) . ?
C33 C34 1.42(2) . ?
C34 C35 1.42(2) . ?
C35 C36 1.44(2) . ?
C41 C46 1.38(2) . ?
C41 C42 1.381(19) . ?
C42 F1 1.344(18) . ?
C42 C43 1.40(2) . ?
C43 F2 1.326(19) . ?
C43 C44 1.38(2) . ?
C44 F3 1.32(3) . ?
C44 C45 1.38(2) . ?
C45 F4 1.32(2) . ?
C45 C46 1.40(2) . ?
C46 F5 1.356(17) . ?
C51 C52 1.39(2) . ?
C51 C56 1.389(19) . ?
C52 F6 1.342(18) . ?
C52 C53 1.43(2) . ?
C53 F7 1.29(2) . ?
C53 C54 1.37(2) . ?
C54 F8 1.32(3) . ?
C54 C55 1.37(2) . ?
C55 F9 1.294(19) . ?
C55 C56 1.42(2) . ?
C56 F10 1.337(18) . ?
C61 C66 1.367(19) . ?
C61 C62 1.38(2) . ?
C62 F11 1.341(18) . ?
C62 C63 1.41(2) . ?
C63 F12 1.33(2) . ?
C63 C64 1.36(2) . ?
C64 F13 1.35(2) . ?
C64 C65 1.37(2) . ?
C65 F14 1.318(19) . ?
C65 C66 1.39(2) . ?
C66 F15 1.340(18) . ?
C71 C76 1.41(2) . ?
C71 C72 1.414(19) . ?
C72 C73 1.32(2) . ?
C73 C74 1.35(2) . ?
C74 C75 1.348(19) . ?
C75 C76 1.35(2) . ?
C81 C82 1.36(2) . ?
C81 C86 1.37(2) . ?
C82 C83 1.42(2) . ?
C83 C84 1.37(2) . ?
C84 C85 1.36(2) . ?
C85 C86 1.42(2) . ?
C91 C96 1.365(19) . ?
C91 C92 1.368(19) . ?
C92 F20 1.334(18) . ?
C92 C93 1.39(2) . ?
C93 F19 1.337(19) . ?
C93 C94 1.37(2) . ?
C94 C95 1.37(2) . ?
C94 F18 1.38(2) . ?
C95 F17 1.35(2) . ?
C95 C96 1.39(2) . ?
C96 F16 1.338(18) . ?
C101 C102 1.38(2) . ?
C101 C106 1.40(2) . ?
C102 C103 1.33(2) . ?
C102 F21 1.368(18) . ?
C103 F22 1.364(18) . ?
C103 C104 1.41(2) . ?
C104 F23 1.36(2) . ?
C104 C105 1.40(2) . ?
C105 C106 1.33(2) . ?
C105 F24 1.360(18) . ?
C106 F25 1.372(19) . ?
C111 C112 1.32(2) . ?
C111 C116 1.32(2) . ?
C112 F26 1.34(2) . ?
C112 C113 1.46(3) . ?
C113 C114 1.32(2) . ?
C113 F27 1.36(2) . ?
C114 C115 1.32(2) . ?
C114 F28 1.36(3) . ?
C115 F29 1.37(2) . ?
C115 C116 1.46(3) . ?
C116 F30 1.34(2) . ?
C198 Cl2 1.85(3) . ?
C198 Cl1 1.85(3) . ?
C199 Cl3 1.83(3) . ?
C199 Cl4 1.85(3) . ?
C195 C195 1.986(18) 2_556 ?
C195 C196 1.999(16) . ?
C196 C197 2.005(18) . ?
