#------------------------------------------------------------------------------
#$Date: 2015-06-01 11:15:52 +0300 (Mon, 01 Jun 2015) $
#$Revision: 137604 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/72/7117237.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_7117237
loop_
_publ_author_name
'Luisa Ciano'
'Natalie Fey'
'Connor J. V. Halliday'
'Jason M. Lynam'
'Lucy M. Milner'
'Nimesh Mistry'
'Natalie E. Pridmore'
'Nell S. Townsend'
'Adrian C. Whitwood'
_publ_section_title
;
 Dispersion, solvent and metal effects in the binding of gold cations to
 alkynyl ligands: implications for Au(I) catalysis
;
_journal_name_full               Chem.Commun.
_journal_page_first              9702
_journal_paper_doi               10.1039/C5cc02629F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C51 H47 Au2 N P, 3(C6 H6), F6 Sb'
_chemical_formula_sum            'C69 H65 Au2 F6 N P Sb'
_chemical_formula_weight         1568.87
_chemical_name_systematic
;
 ?
;
_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
_atom_sites_solution_primary     heavy
_audit_creation_date             2014-02-14
_audit_creation_method
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_audit_update_record
;
2014-11-04 deposited with the CCDC.
2015-04-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.0543(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.83401(14)
_cell_length_b                   18.45150(17)
_cell_length_c                   19.63900(17)
_cell_measurement_reflns_used    14978
_cell_measurement_temperature    110.00(14)
_cell_measurement_theta_max      31.9580
_cell_measurement_theta_min      3.3340
_cell_volume                     6006.44(9)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.00(14)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0374403000
_diffrn_orient_matrix_UB_12      0.0183894000
_diffrn_orient_matrix_UB_13      0.0026762000
_diffrn_orient_matrix_UB_21      0.0206892000
_diffrn_orient_matrix_UB_22      -0.0333942000
_diffrn_orient_matrix_UB_23      0.0069144000
_diffrn_orient_matrix_UB_31      -0.0008307000
_diffrn_orient_matrix_UB_32      -0.0050715000
_diffrn_orient_matrix_UB_33      -0.0359096000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_unetI/netI     0.0406
_diffrn_reflns_laue_measured_fraction_full 0.998
_diffrn_reflns_laue_measured_fraction_max 0.895
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            37745
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.895
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         32.149
_diffrn_reflns_theta_min         2.942
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.407
_exptl_absorpt_correction_T_max  0.836
_exptl_absorpt_correction_T_min  0.353
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Numerical absorption correction based on gaussian integration over
            a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_description       plate
_exptl_crystal_F_000             3056
_exptl_crystal_size_max          0.283
_exptl_crystal_size_mid          0.2022
_exptl_crystal_size_min          0.0381
_refine_diff_density_max         1.093
_refine_diff_density_min         -0.892
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     710
_refine_ls_number_reflns         18968
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0269
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0156P)²+3.3413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0535
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                15508
_reflns_number_total             18968
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc02629f2.cif
_cod_data_source_block           '[5]SbF6.C6D6'
_cod_database_code               7117237
_shelxl_version_number           2013-4
_chemical_oxdiff_formula         'C69 H65 Au2 F6 N1 P1 Sb1'
_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 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Uiso/Uaniso restraints and constraints
Uanis(C52) = Uanis(C52A)
Uanis(C53) = Uanis(C53A)
Uanis(C54) = Uanis(C54A)
Uanis(C55) = Uanis(C55A)
Uanis(C56) = Uanis(C56A)
Uanis(C57) = Uanis(C57A)
2. Others
 Sof(C52A)=Sof(H52A)=Sof(C57A)=Sof(H57A)=Sof(C56A)=Sof(H56A)=Sof(C55A)=
 Sof(H55A)=Sof(C54A)=Sof(H54A)=Sof(C53A)=Sof(H53A)=1-FVAR(1)
 Sof(C52)=Sof(H52)=Sof(C57)=Sof(H57)=Sof(C56)=Sof(H56)=Sof(C55)=Sof(H55)=
 Sof(C54)=Sof(H54)=Sof(C53)=Sof(H53)=FVAR(1)
3.a Fitted hexagon refined as free rotating group:
 C52(C57,C56,C55,C54,C53), C52A(C57A,C56A,C55A,C54A,C53A), C68(C67,C66,C65,C64,
 C69)
;
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_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.26756(2) 0.19910(2) 0.48232(2) 0.01612(3) Uani 1 1 d . . . . .
Au2 Au 0.39239(2) 0.06192(2) 0.48059(2) 0.01351(2) Uani 1 1 d . . . . .
P1 P 0.13649(4) 0.18988(4) 0.49129(3) 0.01638(13) Uani 1 1 d . . . . .
N1 N 0.38757(13) -0.04589(12) 0.48090(11) 0.0163(4) Uani 1 1 d . . . . .
C1 C 0.39515(16) 0.16939(15) 0.48103(12) 0.0160(5) Uani 1 1 d . . . . .
C2 C 0.39580(16) 0.23543(15) 0.48392(13) 0.0159(5) Uani 1 1 d . . . . .
C3 C 0.40716(16) 0.31287(15) 0.49388(13) 0.0169(5) Uani 1 1 d . . . . .
C4 C 0.35240(17) 0.36198(15) 0.45844(14) 0.0207(6) Uani 1 1 d . . . . .
H4 H 0.3095 0.3451 0.4241 0.025 Uiso 1 1 calc R . . . .
C5 C 0.35994(19) 0.43488(16) 0.47275(15) 0.0250(6) Uani 1 1 d . . . . .
H5 H 0.3219 0.4681 0.4487 0.030 Uiso 1 1 calc R . . . .
C6 C 0.42294(19) 0.45995(16) 0.52215(15) 0.0256(6) Uani 1 1 d . . . . .
H6 H 0.4277 0.5102 0.5324 0.031 Uiso 1 1 calc R . . . .
C7 C 0.47882(18) 0.41179(16) 0.55636(15) 0.0236(6) Uani 1 1 d . . . . .
H7 H 0.5227 0.4294 0.5893 0.028 Uiso 1 1 calc R . . . .
C8 C 0.47157(17) 0.33797(15) 0.54315(14) 0.0198(5) Uani 1 1 d . . . . .
H8 H 0.5098 0.3049 0.5672 0.024 Uiso 1 1 calc R . . . .
C9 C 0.35349(16) 0.04464(15) 0.37555(13) 0.0168(5) Uani 1 1 d . . . . .
C10 C 0.33544(16) 0.09352(15) 0.32178(13) 0.0175(5) Uani 1 1 d . . . . .
H10 H 0.3420 0.1439 0.3312 0.021 Uiso 1 1 calc R . . . .
C11 C 0.30751(17) 0.07062(16) 0.25298(14) 0.0204(6) Uani 1 1 d . . . . .
C12 C 0.29670(17) -0.00312(16) 0.24126(14) 0.0232(6) Uani 1 1 d . . . . .
H12 H 0.2769 -0.0197 0.1957 0.028 Uiso 1 1 calc R . . . .
C13 C 0.31398(17) -0.05312(16) 0.29434(14) 0.0222(6) Uani 1 1 d . . . . .
H13 H 0.3056 -0.1033 0.2848 0.027 Uiso 1 1 calc R . . . .
C14 C 0.34352(16) -0.03036(15) 0.36152(13) 0.0172(5) Uani 1 1 d . . . . .
C15 C 0.36330(16) -0.08024(15) 0.42001(14) 0.0181(5) Uani 1 1 d . . . . .
C16 C 0.35903(18) -0.15535(15) 0.41991(15) 0.0231(6) Uani 1 1 d . . . . .
H16 H 0.3431 -0.1813 0.3780 0.028 Uiso 1 1 calc R . . . .
C17 C 0.37855(18) -0.19171(15) 0.48230(16) 0.0249(6) Uani 1 1 d . . . . .
H17 H 0.3754 -0.2431 0.4828 0.030 Uiso 1 1 calc R . . . .
C18 C 0.40242(18) -0.15514(15) 0.54364(15) 0.0232(6) Uani 1 1 d . . . . .
H18 H 0.4155 -0.1809 0.5860 0.028 Uiso 1 1 calc R . . . .
C19 C 0.40712(16) -0.08011(15) 0.54259(13) 0.0171(5) Uani 1 1 d . . . . .
C20 C 0.42831(16) -0.03020(15) 0.60133(13) 0.0171(5) Uani 1 1 d . . . . .
C21 C 0.44809(18) -0.05385(15) 0.66923(14) 0.0219(6) Uani 1 1 d . . . . .
H21 H 0.4514 -0.1043 0.6790 0.026 Uiso 1 1 calc R . . . .
C22 C 0.46294(17) -0.00431(15) 0.72274(14) 0.0216(6) Uani 1 1 d . . . . .
H22 H 0.4767 -0.0212 0.7690 0.026 Uiso 1 1 calc R . . . .
C23 C 0.45808(16) 0.06995(15) 0.71003(13) 0.0183(5) Uani 1 1 d . . . . .
C24 C 0.44007(16) 0.09325(15) 0.64079(13) 0.0175(5) Uani 1 1 d . . . . .
H24 H 0.4379 0.1437 0.6311 0.021 Uiso 1 1 calc R . . . .
C25 C 0.42542(15) 0.04463(14) 0.58644(13) 0.0154(5) Uani 1 1 d . . . . .
C26 C 0.29409(18) 0.12766(16) 0.19533(14) 0.0233(6) Uani 1 1 d . . . . .
C27 C 0.37538(19) 0.16262(18) 0.19126(15) 0.0287(7) Uani 1 1 d . . . . .
H27A H 0.3968 0.1860 0.2355 0.043 Uiso 1 1 calc GR . . . .
H27B H 0.3683 0.1990 0.1543 0.043 Uiso 1 1 calc GR . . . .
H27C H 0.4132 0.1253 0.1814 0.043 Uiso 1 1 calc GR . . . .
C28 C 0.2605(2) 0.0945(2) 0.12497(15) 0.0369(8) Uani 1 1 d . . . . .
H28A H 0.2978 0.0574 0.1137 0.055 Uiso 1 1 calc GR . . . .
H28B H 0.2542 0.1325 0.0896 0.055 Uiso 1 1 calc GR . . . .
H28C H 0.2079 0.0724 0.1265 0.055 Uiso 1 1 calc GR . . . .
C29 C 0.2352(2) 0.18576(18) 0.21165(16) 0.0306(7) Uani 1 1 d . . . . .
H29A H 0.1828 0.1634 0.2135 0.046 Uiso 1 1 calc GR . . . .
H29B H 0.2287 0.2230 0.1755 0.046 Uiso 1 1 calc GR . . . .
H29C H 0.2564 0.2080 0.2564 0.046 Uiso 1 1 calc GR . . . .
C30 C 0.46667(17) 0.12548(16) 0.76900(13) 0.0202(6) Uani 1 1 d . . . . .
C31 C 0.52189(18) 0.18822(16) 0.75563(15) 0.0246(6) Uani 1 1 d . . . . .
H31A H 0.5747 0.1690 0.7502 0.037 Uiso 1 1 calc GR . . . .
H31B H 0.5285 0.2219 0.7948 0.037 Uiso 1 1 calc GR . . . .
H31C H 0.4977 0.2138 0.7133 0.037 Uiso 1 1 calc GR . . . .
C32 C 0.50134(19) 0.09111(17) 0.83914(14) 0.0278(7) Uani 1 1 d . . . . .
H32A H 0.4642 0.0539 0.8504 0.042 Uiso 1 1 calc GR . . . .
H32B H 0.5083 0.1286 0.8751 0.042 Uiso 1 1 calc GR . . . .
H32C H 0.5537 0.0690 0.8367 0.042 Uiso 1 1 calc GR . . . .
C33 C 0.38170(18) 0.15394(17) 0.77268(15) 0.0251(6) Uani 1 1 d . . . . .
H33A H 0.3580 0.1755 0.7281 0.038 Uiso 1 1 calc GR . . . .
H33B H 0.3852 0.1907 0.8091 0.038 Uiso 1 1 calc GR . . . .
H33C H 0.3477 0.1138 0.7832 0.038 Uiso 1 1 calc GR . . . .
C34 C 0.12836(17) 0.11920(15) 0.55334(14) 0.0192(5) Uani 1 1 d . . . . .
C35 C 0.19744(18) 0.10082(16) 0.60050(14) 0.0238(6) Uani 1 1 d . . . . .
H35 H 0.2467 0.1254 0.5992 0.029 Uiso 1 1 calc R . . . .
C36 C 0.1945(2) 0.04692(17) 0.64917(15) 0.0303(7) Uani 1 1 d . . . . .
H36 H 0.2417 0.0344 0.6811 0.036 Uiso 1 1 calc R . . . .
C37 C 0.1229(2) 0.01162(17) 0.65093(15) 0.0302(7) Uani 1 1 d . . . . .
H37 H 0.1206 -0.0250 0.6845 0.036 Uiso 1 1 calc R . . . .
C38 C 0.0542(2) 0.02907(17) 0.60415(16) 0.0299(7) Uani 1 1 d . . . . .
H38 H 0.0052 0.0041 0.6058 0.036 Uiso 1 1 calc R . . . .
C39 C 0.05596(18) 0.08243(17) 0.55512(15) 0.0248(6) Uani 1 1 d . . . . .
H39 H 0.0087 0.0941 0.5230 0.030 Uiso 1 1 calc R . . . .
C40 C 0.09334(16) 0.27124(16) 0.52066(14) 0.0199(6) Uani 1 1 d . . . . .
C41 C 0.05303(19) 0.27146(18) 0.57662(15) 0.0288(7) Uani 1 1 d . . . . .
H41 H 0.0469 0.2279 0.6009 0.035 Uiso 1 1 calc R . . . .
C42 C 0.0218(2) 0.3362(2) 0.59669(17) 0.0382(8) Uani 1 1 d . . . . .
H42 H -0.0061 0.3365 0.6348 0.046 Uiso 1 1 calc R . . . .
C43 C 0.0305(2) 0.3996(2) 0.56250(18) 0.0416(9) Uani 1 1 d . . . . .
H43 H 0.0094 0.4435 0.5772 0.050 Uiso 1 1 calc R . . . .
C44 C 0.0701(2) 0.39951(19) 0.50663(17) 0.0363(8) Uani 1 1 d . . . . .
H44 H 0.0759 0.4435 0.4829 0.044 Uiso 1 1 calc R . . . .
C45 C 0.10134(19) 0.33591(16) 0.48478(15) 0.0268(6) Uani 1 1 d . . . . .
H45 H 0.1279 0.3360 0.4459 0.032 Uiso 1 1 calc R . . . .
C46 C 0.07341(16) 0.16666(15) 0.40987(13) 0.0177(5) Uani 1 1 d . . . . .
C47 C -0.00665(18) 0.18843(16) 0.39430(15) 0.0241(6) Uani 1 1 d . . . . .
H47 H -0.0296 0.2160 0.4268 0.029 Uiso 1 1 calc R . . . .
C48 C -0.05316(19) 0.16992(18) 0.33115(15) 0.0296(7) Uani 1 1 d . . . . .
H48 H -0.1080 0.1846 0.3205 0.036 Uiso 1 1 calc R . . . .
C49 C -0.0196(2) 0.13027(18) 0.28398(15) 0.0307(7) Uani 1 1 d . . . . .
H49 H -0.0514 0.1182 0.2406 0.037 Uiso 1 1 calc R . . . .
C50 C 0.0596(2) 0.10786(18) 0.29908(15) 0.0302(7) Uani 1 1 d . . . . .
H50 H 0.0818 0.0795 0.2666 0.036 Uiso 1 1 calc R . . . .
C51 C 0.10703(18) 0.12662(16) 0.36162(14) 0.0236(6) Uani 1 1 d . . . . .
H51 H 0.1621 0.1123 0.3716 0.028 Uiso 1 1 calc R . . . .
C52 C 0.1494(3) -0.1484(4) 0.37817(14) 0.0412(17) Uani 0.634(6) 1 d . . P A 1
H52 H 0.1390 -0.1569 0.3297 0.049 Uiso 0.634(6) 1 calc R . P A 1
C57 C 0.1589(3) -0.0780(3) 0.4033(3) 0.0409(18) Uani 0.634(6) 1 d G . P A 1
H57 H 0.1549 -0.0383 0.3721 0.049 Uiso 0.634(6) 1 calc R . P A 1
C56 C 0.1741(3) -0.0656(2) 0.4742(4) 0.0402(17) Uani 0.634(6) 1 d G . P A 1
H56 H 0.1806 -0.0174 0.4914 0.048 Uiso 0.634(6) 1 calc R . P A 1
C55 C 0.1799(3) -0.1236(4) 0.51996(15) 0.0404(18) Uani 0.634(6) 1 d G . P A 1
H55 H 0.1903 -0.1151 0.5684 0.049 Uiso 0.634(6) 1 calc R . P A 1
C54 C 0.1705(3) -0.1941(3) 0.4948(3) 0.0326(15) Uani 0.634(6) 1 d G . P A 1
H54 H 0.1744 -0.2337 0.5260 0.039 Uiso 0.634(6) 1 calc R . P A 1
C53 C 0.1552(3) -0.2065(2) 0.4239(4) 0.0366(15) Uani 0.634(6) 1 d G . P A 1
H53 H 0.1488 -0.2546 0.4067 0.044 Uiso 0.634(6) 1 calc R . P A 1
C52A C 0.1458(5) -0.1070(7) 0.3837(3) 0.0412(17) Uani 0.366(6) 1 d . . P A 2
H52A H 0.1333 -0.0890 0.3377 0.049 Uiso 0.366(6) 1 calc R . P A 2
C57A C 0.1680(5) -0.0594(3) 0.4386(7) 0.0409(18) Uani 0.366(6) 1 d G . P A 2
H57A H 0.1706 -0.0089 0.4302 0.049 Uiso 0.366(6) 1 calc R . P A 2
C56A C 0.1864(5) -0.0859(6) 0.5058(5) 0.0402(17) Uani 0.366(6) 1 d G . P A 2
H56A H 0.2015 -0.0533 0.5433 0.048 Uiso 0.366(6) 1 calc R . P A 2
C55A C 0.1826(5) -0.1599(7) 0.5180(3) 0.0404(18) Uani 0.366(6) 1 d G . P A 2
H55A H 0.1951 -0.1779 0.5640 0.049 Uiso 0.366(6) 1 calc R . P A 2
C54A C 0.1604(5) -0.2074(3) 0.4631(7) 0.0326(15) Uani 0.366(6) 1 d G . P A 2
H54A H 0.1578 -0.2580 0.4715 0.039 Uiso 0.366(6) 1 calc R . P A 2
C53A C 0.1421(5) -0.1810(6) 0.3960(5) 0.0366(15) Uani 0.366(6) 1 d G . P A 2
H53A H 0.1269 -0.2135 0.3584 0.044 Uiso 0.366(6) 1 calc R . P A 2
C68 C 0.14085(13) -0.12157(17) 0.09041(16) 0.0632(13) Uani 1 1 d . . . . .
H68 H 0.0865 -0.1090 0.0922 0.076 Uiso 1 1 calc R . . . .
C67 C 0.18436(17) -0.16447(16) 0.14205(12) 0.0554(12) Uani 1 1 d G . . . .
H67 H 0.1598 -0.1812 0.1791 0.066 Uiso 1 1 calc R . . . .
C66 C 0.26385(17) -0.18284(14) 0.13943(12) 0.0523(11) Uani 1 1 d G . . . .
H66 H 0.2936 -0.2122 0.1747 0.063 Uiso 1 1 calc R . . . .
C65 C 0.29983(13) -0.15832(16) 0.08518(16) 0.0530(11) Uani 1 1 d G . . . .
H65 H 0.3542 -0.1709 0.0834 0.064 Uiso 1 1 calc R . . . .
C64 C 0.25632(19) -0.11542(15) 0.03354(13) 0.0602(13) Uani 1 1 d G . . . .
H64 H 0.2809 -0.0987 -0.0035 0.072 Uiso 1 1 calc R . . . .
C69 C 0.17683(19) -0.09704(15) 0.03616(13) 0.0663(14) Uani 1 1 d G . . . .
H69 H 0.1471 -0.0677 0.0009 0.080 Uiso 1 1 calc R . . . .
C58 C 0.1631(2) 0.35170(19) 0.30225(17) 0.0344(7) Uani 1 1 d . . . . .
H58 H 0.2115 0.3258 0.3006 0.041 Uiso 1 1 calc R . . . .
C59 C 0.1665(2) 0.42245(19) 0.32496(16) 0.0338(8) Uani 1 1 d . . . . .
H59 H 0.2174 0.4453 0.3388 0.041 Uiso 1 1 calc R . . . .
C60 C 0.0968(3) 0.4602(2) 0.32769(17) 0.0417(9) Uani 1 1 d . . . . .
H60 H 0.0996 0.5089 0.3438 0.050 Uiso 1 1 calc R . . . .
C61 C 0.0232(2) 0.4276(2) 0.3072(2) 0.0463(10) Uani 1 1 d . . . . .
H61 H -0.0251 0.4538 0.3087 0.056 Uiso 1 1 calc R . . . .
C62 C 0.0196(2) 0.3563(2) 0.28416(19) 0.0443(9) Uani 1 1 d . . . . .
H62 H -0.0312 0.3336 0.2699 0.053 Uiso 1 1 calc R . . . .
C63 C 0.0895(2) 0.31861(19) 0.28195(18) 0.0374(8) Uani 1 1 d . . . . .
H63 H 0.0870 0.2698 0.2664 0.045 Uiso 1 1 calc R . . . .
Sb1 Sb 0.29215(2) -0.13991(2) 0.80611(2) 0.02376(4) Uani 1 1 d . . . . .
F1 F 0.39359(13) -0.16052(11) 0.78505(11) 0.0459(5) Uani 1 1 d . . . . .
F2 F 0.26081(15) -0.23639(11) 0.78931(10) 0.0482(6) Uani 1 1 d . . . . .
F3 F 0.33212(12) -0.16328(12) 0.89821(9) 0.0406(5) Uani 1 1 d . . . . .
F4 F 0.32310(12) -0.04342(10) 0.82408(11) 0.0422(5) Uani 1 1 d . . . . .
F5 F 0.25233(15) -0.11767(12) 0.71401(10) 0.0553(6) Uani 1 1 d . . . . .
F6 F 0.19148(13) -0.12006(13) 0.82957(13) 0.0558(6) Uani 1 1 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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 1 -1 0.1107 0.0002 0.9981 -0.9986 0.0157 -0.0402 0.0308
0 -1 1 0.1047 -0.0002 -0.9981 0.9986 -0.0157 0.0402 -0.0308
0 -1 -1 0.0941 0.0000 -0.9981 -0.9988 -0.0210 0.0264 0.0409
0 1 1 0.1001 -0.0000 0.9981 0.9988 0.0210 -0.0264 -0.0409
0 0 -1 0.0968 0.0001 0.0000 -0.9987 -0.0027 -0.0069 0.0359
-2 0 -1 0.0251 -1.9972 -0.0001 -0.9991 -0.0775 -0.0482 0.0375
2 0 1 0.0131 1.9972 0.0001 0.9991 0.0775 0.0482 -0.0375
1 0 0 0.0214 0.9986 0.0001 0.0002 0.0374 0.0207 -0.0008
-1 0 0 0.0344 -0.9986 -0.0001 -0.0002 -0.0374 -0.0207 0.0008
0 0 1 0.0859 -0.0001 -0.0000 0.9987 0.0027 0.0069 -0.0359
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 125.366(18) . .
P1 Au1 C2 166.06(7) . .
C1 Au1 Au2 35.93(7) . .
C1 Au1 P1 161.01(7) . .
C1 Au1 C2 31.61(10) . .
C2 Au1 Au2 67.52(7) . .
N1 Au2 Au1 137.84(6) . .
N1 Au2 C9 81.01(10) . .
N1 Au2 C25 81.24(10) . .
C1 Au2 Au1 41.08(8) . .
C1 Au2 N1 178.85(10) . .
C1 Au2 C9 99.26(10) . .
C1 Au2 C25 98.45(10) . .
C9 Au2 Au1 92.12(7) . .
C9 Au2 C25 162.12(11) . .
C25 Au2 Au1 99.62(7) . .
C34 P1 Au1 107.35(9) . .
C34 P1 C46 108.86(13) . .
C40 P1 Au1 114.63(9) . .
C40 P1 C34 107.62(13) . .
C40 P1 C46 105.81(13) . .
C46 P1 Au1 112.39(9) . .
C15 N1 Au2 118.15(18) . .
C15 N1 C19 124.1(2) . .
C19 N1 Au2 117.70(17) . .
Au2 C1 Au1 102.99(11) . .
C2 C1 Au1 75.75(18) . .
C2 C1 Au2 177.3(2) . .
C1 C2 Au1 72.64(18) . .
C1 C2 C3 172.0(3) . .
C3 C2 Au1 113.45(18) . .
C4 C3 C2 121.0(2) . .
C4 C3 C8 119.8(3) . .
C8 C3 C2 119.1(2) . .
C3 C4 H4 119.8 . .
C5 C4 C3 120.4(3) . .
C5 C4 H4 119.8 . .
C4 C5 H5 119.9 . .
C4 C5 C6 120.1(3) . .
C6 C5 H5 119.9 . .
C5 C6 H6 120.0 . .
C7 C6 C5 119.9(3) . .
C7 C6 H6 120.0 . .
C6 C7 H7 119.6 . .
C6 C7 C8 120.7(3) . .
C8 C7 H7 119.6 . .
C3 C8 H8 120.5 . .
C7 C8 C3 119.1(3) . .
C7 C8 H8 120.5 . .
C10 C9 Au2 130.4(2) . .
C10 C9 C14 119.1(2) . .
C14 C9 Au2 110.45(18) . .
C9 C10 H10 119.1 . .
C9 C10 C11 121.8(3) . .
C11 C10 H10 119.1 . .
C10 C11 C26 118.8(3) . .
C12 C11 C10 117.6(3) . .
C12 C11 C26 123.6(2) . .
C11 C12 H12 119.2 . .
C13 C12 C11 121.6(3) . .
C13 C12 H12 119.2 . .
C12 C13 H13 119.8 . .
C12 C13 C14 120.4(3) . .
C14 C13 H13 119.8 . .
C9 C14 C15 117.3(2) . .
C13 C14 C9 119.4(2) . .
C13 C14 C15 123.3(3) . .
N1 C15 C14 113.0(2) . .
N1 C15 C16 118.5(2) . .
C16 C15 C14 128.5(3) . .
C15 C16 H16 120.7 . .
C17 C16 C15 118.6(3) . .
C17 C16 H16 120.7 . .
C16 C17 H17 119.2 . .
C18 C17 C16 121.6(3) . .
C18 C17 H17 119.2 . .
C17 C18 H18 120.5 . .
C17 C18 C19 119.0(3) . .
C19 C18 H18 120.5 . .
N1 C19 C18 118.2(2) . .
N1 C19 C20 113.4(2) . .
C18 C19 C20 128.3(2) . .
C21 C20 C19 122.8(2) . .
C21 C20 C25 120.1(2) . .
C25 C20 C19 117.1(2) . .
C20 C21 H21 119.9 . .
C22 C21 C20 120.3(3) . .
C22 C21 H21 119.9 . .
C21 C22 H22 119.4 . .
C21 C22 C23 121.1(2) . .
C23 C22 H22 119.4 . .
C22 C23 C24 118.0(2) . .
C22 C23 C30 121.8(2) . .
C24 C23 C30 120.1(2) . .
C23 C24 H24 119.1 . .
C25 C24 C23 121.8(2) . .
C25 C24 H24 119.1 . .
C20 C25 Au2 110.54(18) . .
C24 C25 Au2 130.7(2) . .
C24 C25 C20 118.7(2) . .
C27 C26 C11 108.1(2) . .
C27 C26 C29 109.5(3) . .
C28 C26 C11 112.2(3) . .
C28 C26 C27 108.4(2) . .
C28 C26 C29 108.6(3) . .
C29 C26 C11 110.1(2) . .
C26 C27 H27A 109.5 . .
C26 C27 H27B 109.5 . .
C26 C27 H27C 109.5 . .
H27A C27 H27B 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C26 C29 H29A 109.5 . .
C26 C29 H29B 109.5 . .
C26 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C23 C30 C31 110.8(2) . .
C23 C30 C32 111.9(2) . .
C23 C30 C33 107.3(2) . .
C31 C30 C32 108.5(2) . .
C31 C30 C33 110.3(2) . .
C32 C30 C33 108.1(2) . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C30 C32 H32A 109.5 . .
C30 C32 H32B 109.5 . .
C30 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C30 C33 H33A 109.5 . .
C30 C33 H33B 109.5 . .
C30 C33 H33C 109.5 . .
H33A C33 H33B 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C35 C34 P1 118.1(2) . .
C35 C34 C39 119.6(3) . .
C39 C34 P1 122.4(2) . .
C34 C35 H35 119.8 . .
C36 C35 C34 120.4(3) . .
C36 C35 H35 119.8 . .
C35 C36 H36 120.2 . .
C37 C36 C35 119.6(3) . .
C37 C36 H36 120.2 . .
C36 C37 H37 119.7 . .
C36 C37 C38 120.5(3) . .
C38 C37 H37 119.7 . .
C37 C38 H38 119.6 . .
C39 C38 C37 120.8(3) . .
C39 C38 H38 119.6 . .
C34 C39 H39 120.4 . .
C38 C39 C34 119.2(3) . .
C38 C39 H39 120.4 . .
C41 C40 P1 122.3(2) . .
C41 C40 C45 119.8(3) . .
C45 C40 P1 117.8(2) . .
C40 C41 H41 120.4 . .
C40 C41 C42 119.2(3) . .
C42 C41 H41 120.4 . .
C41 C42 H42 119.4 . .
C43 C42 C41 121.1(3) . .
C43 C42 H42 119.4 . .
C42 C43 H43 120.1 . .
C42 C43 C44 119.8(3) . .
C44 C43 H43 120.1 . .
C43 C44 H44 119.7 . .
C43 C44 C45 120.6(3) . .
C45 C44 H44 119.7 . .
C40 C45 H45 120.3 . .
C44 C45 C40 119.3(3) . .
C44 C45 H45 120.3 . .
C47 C46 P1 121.6(2) . .
C47 C46 C51 119.8(3) . .
C51 C46 P1 118.7(2) . .
C46 C47 H47 120.0 . .
C46 C47 C48 120.0(3) . .
C48 C47 H47 120.0 . .
C47 C48 H48 120.1 . .
C49 C48 C47 119.9(3) . .
C49 C48 H48 120.1 . .
C48 C49 H49 119.7 . .
C48 C49 C50 120.7(3) . .
C50 C49 H49 119.7 . .
C49 C50 H50 120.0 . .
C49 C50 C51 120.1(3) . .
C51 C50 H50 120.0 . .
C46 C51 H51 120.2 . .
C50 C51 C46 119.6(3) . .
C50 C51 H51 120.2 . .
C57 C52 H52 120.0 . .
C57 C52 C53 120.0 . .
C53 C52 H52 120.0 . .
C52 C57 H57 120.0 . .
C56 C57 C52 120.0 . .
C56 C57 H57 120.0 . .
C57 C56 H56 120.0 . .
C57 C56 C55 120.0 . .
C55 C56 H56 120.0 . .
C56 C55 H55 120.0 . .
C54 C55 C56 120.0 . .
C54 C55 H55 120.0 . .
C55 C54 H54 120.0 . .
C53 C54 C55 120.0 . .
C53 C54 H54 120.0 . .
C52 C53 H53 120.0 . .
C54 C53 C52 120.0 . .
C54 C53 H53 120.0 . .
C57A C52A H52A 120.0 . .
C57A C52A C53A 120.0 . .
C53A C52A H52A 120.0 . .
C52A C57A H57A 120.0 . .
C52A C57A C56A 120.0 . .
C56A C57A H57A 120.0 . .
C57A C56A H56A 120.0 . .
C57A C56A C55A 120.0 . .
C55A C56A H56A 120.0 . .
C56A C55A H55A 120.0 . .
C54A C55A C56A 120.0 . .
C54A C55A H55A 120.0 . .
C55A C54A H54A 120.0 . .
C53A C54A C55A 120.0 . .
C53A C54A H54A 120.0 . .
C52A C53A H53A 120.0 . .
C54A C53A C52A 120.0 . .
C54A C53A H53A 120.0 . .
C67 C68 H68 120.0 . .
C67 C68 C69 120.0 . .
C69 C68 H68 120.0 . .
C68 C67 H67 120.0 . .
C66 C67 C68 120.0 . .
C66 C67 H67 120.0 . .
C67 C66 H66 120.0 . .
C67 C66 C65 120.0 . .
C65 C66 H66 120.0 . .
C66 C65 H65 120.0 . .
C64 C65 C66 120.0 . .
C64 C65 H65 120.0 . .
C65 C64 H64 120.0 . .
C65 C64 C69 120.0 . .
C69 C64 H64 120.0 . .
C68 C69 H69 120.0 . .
C64 C69 C68 120.0 . .
C64 C69 H69 120.0 . .
C59 C58 H58 120.0 . .
C63 C58 H58 120.0 . .
C63 C58 C59 119.9(3) . .
C58 C59 H59 119.8 . .
C60 C59 C58 120.4(3) . .
C60 C59 H59 119.8 . .
C59 C60 H60 120.0 . .
C59 C60 C61 120.0(4) . .
C61 C60 H60 120.0 . .
C60 C61 H61 120.2 . .
C60 C61 C62 119.7(4) . .
C62 C61 H61 120.2 . .
C61 C62 H62 120.0 . .
C63 C62 C61 120.1(4) . .
C63 C62 H62 120.0 . .
C58 C63 H63 120.0 . .
C62 C63 C58 119.9(4) . .
C62 C63 H63 120.0 . .
F1 Sb1 F2 90.45(10) . .
F1 Sb1 F3 88.78(9) . .
F1 Sb1 F4 90.01(9) . .
F1 Sb1 F6 178.52(10) . .
F2 Sb1 F4 179.24(9) . .
F3 Sb1 F2 89.65(9) . .
F3 Sb1 F4 89.75(9) . .
F3 Sb1 F6 89.74(10) . .
F5 Sb1 F1 91.01(10) . .
F5 Sb1 F2 89.76(9) . .
F5 Sb1 F3 179.38(10) . .
F5 Sb1 F4 90.84(10) . .
F5 Sb1 F6 90.46(11) . .
F6 Sb1 F2 89.43(11) . .
F6 Sb1 F4 90.09(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Au2 3.29377(14) .
Au1 P1 2.2503(7) .
Au1 C1 2.221(3) .
Au1 C2 2.256(3) .
Au2 N1 1.991(2) .
Au2 C1 1.984(3) .
Au2 C9 2.077(3) .
Au2 C25 2.081(2) .
P1 C34 1.806(3) .
P1 C40 1.806(3) .
P1 C46 1.810(3) .
N1 C15 1.352(3) .
N1 C19 1.355(3) .
C1 C2 1.220(4) .
C2 C3 1.450(4) .
C3 C4 1.390(4) .
C3 C8 1.400(4) .
C4 H4 0.9500 .
C4 C5 1.375(4) .
C5 H5 0.9500 .
C5 C6 1.386(4) .
C6 H6 0.9500 .
C6 C7 1.380(4) .
C7 H7 0.9500 .
C7 C8 1.388(4) .
C8 H8 0.9500 .
C9 C10 1.382(4) .
C9 C14 1.415(4) .
C10 H10 0.9500 .
C10 C11 1.415(4) .
C11 C12 1.387(4) .
C11 C26 1.533(4) .
C12 H12 0.9500 .
C12 C13 1.384(4) .
C13 H13 0.9500 .
C13 C14 1.391(4) .
C14 C15 1.464(4) .
C15 C16 1.388(4) .
C16 H16 0.9500 .
C16 C17 1.385(4) .
C17 H17 0.9500 .
C17 C18 1.378(4) .
C18 H18 0.9500 .
C18 C19 1.387(4) .
C19 C20 1.471(4) .
C20 C21 1.387(4) .
C20 C25 1.411(4) .
C21 H21 0.9500 .
C21 C22 1.382(4) .
C22 H22 0.9500 .
C22 C23 1.393(4) .
C23 C24 1.408(4) .
C23 C30 1.534(4) .
C24 H24 0.9500 .
C24 C25 1.383(4) .
C26 C27 1.528(4) .
C26 C28 1.526(4) .
C26 C29 1.531(4) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C31 1.536(4) .
C30 C32 1.536(4) .
C30 C33 1.537(4) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 C35 1.396(4) .
C34 C39 1.401(4) .
C35 H35 0.9500 .
C35 C36 1.386(4) .
C36 H36 0.9500 .
C36 C37 1.376(4) .
C37 H37 0.9500 .
C37 C38 1.384(5) .
C38 H38 0.9500 .
C38 C39 1.381(4) .
C39 H39 0.9500 .
C40 C41 1.389(4) .
C40 C45 1.404(4) .
C41 H41 0.9500 .
C41 C42 1.389(5) .
C42 H42 0.9500 .
C42 C43 1.369(5) .
C43 H43 0.9500 .
C43 C44 1.380(5) .
C44 H44 0.9500 .
C44 C45 1.385(4) .
C45 H45 0.9500 .
C46 C47 1.388(4) .
C46 C51 1.397(4) .
C47 H47 0.9500 .
C47 C48 1.389(4) .
C48 H48 0.9500 .
C48 C49 1.377(5) .
C49 H49 0.9500 .
C49 C50 1.378(5) .
C50 H50 0.9500 .
C50 C51 1.387(4) .
C51 H51 0.9500 .
C52 H52 0.9500 .
C52 C57 1.3900 .
C52 C53 1.3900 .
C57 H57 0.9500 .
C57 C56 1.3900 .
C56 H56 0.9500 .
C56 C55 1.3900 .
C55 H55 0.9500 .
C55 C54 1.3900 .
C54 H54 0.9500 .
C54 C53 1.3900 .
C53 H53 0.9500 .
C52A H52A 0.9500 .
C52A C57A 1.3900 .
C52A C53A 1.3900 .
C57A H57A 0.9500 .
C57A C56A 1.3900 .
C56A H56A 0.9500 .
C56A C55A 1.3900 .
C55A H55A 0.9500 .
C55A C54A 1.3900 .
C54A H54A 0.9500 .
C54A C53A 1.3900 .
C53A H53A 0.9500 .
C68 H68 0.9500 .
C68 C67 1.3900 .
C68 C69 1.3900 .
C67 H67 0.9500 .
C67 C66 1.3900 .
C66 H66 0.9500 .
C66 C65 1.3900 .
C65 H65 0.9500 .
C65 C64 1.3900 .
C64 H64 0.9500 .
C64 C69 1.3900 .
C69 H69 0.9500 .
C58 H58 0.9500 .
C58 C59 1.377(5) .
C58 C63 1.376(5) .
C59 H59 0.9500 .
C59 C60 1.373(5) .
C60 H60 0.9500 .
C60 C61 1.374(6) .
C61 H61 0.9500 .
C61 C62 1.389(5) .
C62 H62 0.9500 .
C62 C63 1.374(5) .
C63 H63 0.9500 .
Sb1 F1 1.865(2) .
Sb1 F2 1.8696(19) .
Sb1 F3 1.8668(17) .
Sb1 F4 1.8712(19) .
Sb1 F5 1.8618(19) .
Sb1 F6 1.868(2) .
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
Au1 P1 C34 C35 21.3(2) . . . .
Au1 P1 C34 C39 -158.2(2) . . . .
Au1 P1 C40 C41 -126.8(2) . . . .
Au1 P1 C40 C45 53.4(2) . . . .
Au1 P1 C46 C47 -151.0(2) . . . .
Au1 P1 C46 C51 28.2(2) . . . .
Au1 C2 C3 C4 -43.8(3) . . . .
Au1 C2 C3 C8 132.2(2) . . . .
Au2 N1 C15 C14 -0.2(3) . . . .
Au2 N1 C15 C16 -179.4(2) . . . .
Au2 N1 C19 C18 178.7(2) . . . .
Au2 N1 C19 C20 0.9(3) . . . .
Au2 C9 C10 C11 -178.4(2) . . . .
Au2 C9 C14 C13 176.9(2) . . . .
Au2 C9 C14 C15 -1.5(3) . . . .
P1 C34 C35 C36 -180.0(2) . . . .
P1 C34 C39 C38 -179.9(2) . . . .
P1 C40 C41 C42 179.6(2) . . . .
P1 C40 C45 C44 -179.0(2) . . . .
P1 C46 C47 C48 179.7(2) . . . .
P1 C46 C51 C50 179.6(2) . . . .
N1 C15 C16 C17 1.0(4) . . . .
N1 C19 C20 C21 178.2(2) . . . .
N1 C19 C20 C25 0.2(3) . . . .
C2 C3 C4 C5 174.3(2) . . . .
C2 C3 C8 C7 -175.2(2) . . . .
C3 C4 C5 C6 0.8(4) . . . .
C4 C3 C8 C7 0.9(4) . . . .
C4 C5 C6 C7 0.9(4) . . . .
C5 C6 C7 C8 -1.7(4) . . . .
C6 C7 C8 C3 0.8(4) . . . .
C8 C3 C4 C5 -1.7(4) . . . .
C9 C10 C11 C12 1.6(4) . . . .
C9 C10 C11 C26 -176.0(2) . . . .
C9 C14 C15 N1 1.2(3) . . . .
C9 C14 C15 C16 -179.8(3) . . . .
C10 C9 C14 C13 -1.5(4) . . . .
C10 C9 C14 C15 -180.0(2) . . . .
C10 C11 C12 C13 -1.3(4) . . . .
C10 C11 C26 C27 63.1(3) . . . .
C10 C11 C26 C28 -177.5(3) . . . .
C10 C11 C26 C29 -56.5(3) . . . .
C11 C12 C13 C14 -0.5(4) . . . .
C12 C11 C26 C27 -114.4(3) . . . .
C12 C11 C26 C28 5.1(4) . . . .
C12 C11 C26 C29 126.1(3) . . . .
C12 C13 C14 C9 1.9(4) . . . .
C12 C13 C14 C15 -179.8(3) . . . .
C13 C14 C15 N1 -177.2(2) . . . .
C13 C14 C15 C16 1.9(4) . . . .
C14 C9 C10 C11 -0.2(4) . . . .
C14 C15 C16 C17 -178.0(3) . . . .
C15 N1 C19 C18 0.3(4) . . . .
C15 N1 C19 C20 -177.6(2) . . . .
C15 C16 C17 C18 -0.5(4) . . . .
C16 C17 C18 C19 -0.2(4) . . . .
C17 C18 C19 N1 0.3(4) . . . .
C17 C18 C19 C20 177.8(3) . . . .
C18 C19 C20 C21 0.6(4) . . . .
C18 C19 C20 C25 -177.4(3) . . . .
C19 N1 C15 C14 178.2(2) . . . .
C19 N1 C15 C16 -1.0(4) . . . .
C19 C20 C21 C22 -176.2(3) . . . .
C19 C20 C25 Au2 -1.0(3) . . . .
C19 C20 C25 C24 176.0(2) . . . .
C20 C21 C22 C23 0.3(4) . . . .
C21 C20 C25 Au2 -179.1(2) . . . .
C21 C20 C25 C24 -2.0(4) . . . .
C21 C22 C23 C24 -2.0(4) . . . .
C21 C22 C23 C30 174.3(3) . . . .
C22 C23 C24 C25 1.6(4) . . . .
C22 C23 C30 C31 135.5(3) . . . .
C22 C23 C30 C32 14.3(4) . . . .
C22 C23 C30 C33 -104.0(3) . . . .
C23 C24 C25 Au2 176.7(2) . . . .
C23 C24 C25 C20 0.3(4) . . . .
C24 C23 C30 C31 -48.3(3) . . . .
C24 C23 C30 C32 -169.5(2) . . . .
C24 C23 C30 C33 72.1(3) . . . .
C25 C20 C21 C22 1.7(4) . . . .
C26 C11 C12 C13 176.2(3) . . . .
C30 C23 C24 C25 -174.7(2) . . . .
C34 P1 C40 C41 -7.5(3) . . . .
C34 P1 C40 C45 172.7(2) . . . .
C34 P1 C46 C47 90.2(3) . . . .
C34 P1 C46 C51 -90.6(2) . . . .
C34 C35 C36 C37 -0.2(5) . . . .
C35 C34 C39 C38 0.7(4) . . . .
C35 C36 C37 C38 0.6(5) . . . .
C36 C37 C38 C39 -0.4(5) . . . .
C37 C38 C39 C34 -0.3(5) . . . .
C39 C34 C35 C36 -0.5(4) . . . .
C40 P1 C34 C35 -102.5(2) . . . .
C40 P1 C34 C39 78.0(3) . . . .
C40 P1 C46 C47 -25.2(3) . . . .
C40 P1 C46 C51 154.0(2) . . . .
C40 C41 C42 C43 -0.4(5) . . . .
C41 C40 C45 C44 1.2(4) . . . .
C41 C42 C43 C44 0.8(5) . . . .
C42 C43 C44 C45 -0.1(5) . . . .
C43 C44 C45 C40 -0.8(5) . . . .
C45 C40 C41 C42 -0.6(4) . . . .
C46 P1 C34 C35 143.2(2) . . . .
C46 P1 C34 C39 -36.3(3) . . . .
C46 P1 C40 C41 108.8(3) . . . .
C46 P1 C40 C45 -71.0(2) . . . .
C46 C47 C48 C49 -0.3(5) . . . .
C47 C46 C51 C50 -1.2(4) . . . .
C47 C48 C49 C50 0.8(5) . . . .
C48 C49 C50 C51 -1.5(5) . . . .
C49 C50 C51 C46 1.7(4) . . . .
C51 C46 C47 C48 0.5(4) . . . .
C52 C57 C56 C55 0.0 . . . .
C57 C52 C53 C54 0.0 . . . .
C57 C56 C55 C54 0.0 . . . .
C56 C55 C54 C53 0.0 . . . .
C55 C54 C53 C52 0.0 . . . .
C53 C52 C57 C56 0.0 . . . .
C52A C57A C56A C55A 0.0 . . . .
C57A C52A C53A C54A 0.0 . . . .
C57A C56A C55A C54A 0.0 . . . .
C56A C55A C54A C53A 0.0 . . . .
C55A C54A C53A C52A 0.0 . . . .
C53A C52A C57A C56A 0.0 . . . .
C68 C67 C66 C65 0.0 . . . .
C67 C68 C69 C64 0.0 . . . .
C67 C66 C65 C64 0.0 . . . .
C66 C65 C64 C69 0.0 . . . .
C65 C64 C69 C68 0.0 . . . .
C69 C68 C67 C66 0.0 . . . .
C58 C59 C60 C61 -0.5(5) . . . .
C59 C58 C63 C62 0.2(5) . . . .
C59 C60 C61 C62 0.5(5) . . . .
C60 C61 C62 C63 0.0(5) . . . .
C61 C62 C63 C58 -0.3(5) . . . .
C63 C58 C59 C60 0.2(5) . . . .
