# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_[5]SbF6.C6D6
_database_code_depnum_ccdc_archive 'CCDC 1032551'
_audit_update_record             
;
2014-11-04 deposited with the CCDC.
2015-04-30 downloaded from the CCDC.
;
_audit_creation_date             2014-02-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_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_melting_point          ?
_chemical_oxdiff_formula         'C69 H65 Au2 F6 N1 P1 Sb1'
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   16.83401(14)
_cell_length_b                   18.45150(17)
_cell_length_c                   19.63900(17)
_cell_angle_alpha                90
_cell_angle_beta                 100.0543(8)
_cell_angle_gamma                90
_cell_volume                     6006.44(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    14978
_cell_measurement_temperature    110.00(14)
_cell_measurement_theta_max      31.9580
_cell_measurement_theta_min      3.3340
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_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_density_meas      ?
_exptl_crystal_density_method    ?
_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
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_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_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_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15508
_reflns_number_total             18968
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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)'
_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_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0269
_refine_ls_restrained_S_all      1.036
_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
_refine_special_details          
;
Disorderd benzene molecule was modelled in two positions, with a refined 
occupancy ratio of 0.633:0.367(5). Both parts were constrained to be
regular hexagons and due to the proximity of the carbon atoms in the rings,
corresponding atoms in the major and minor components were constrained to
have the same ADP (e.g. C52 and C52A). 

A second benzene molecule (C64-C69) was also constrained to be a regular 
hexagon to address partial disorder which could not be modelled.
;
_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)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   ?
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 . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 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_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
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_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
_geom_torsion_publ_flag
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) . . . . ?

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
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_[5]SbF6.C6H5Ch3
_database_code_depnum_ccdc_archive 'CCDC 1032552'
_audit_update_record             
;
2014-11-04 deposited with the CCDC.
2015-04-30 downloaded from the CCDC.
;
_audit_creation_date             2014-04-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.03.20 svn.r2914 for OlexSys, GUI svn.r4816)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C51 H47 Au2 N P, F6 Sb, 1(C7 H8)'
_chemical_formula_sum            'C58.01 H55.02 Au2 F6 N P Sb'
_chemical_formula_weight         1426.78
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_space_group_name_Hall           '-P 2n 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y, z-1/2'

_cell_length_a                   24.291(3)
_cell_length_b                   17.933(2)
_cell_length_c                   24.334(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     10600(2)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9320
_cell_measurement_temperature    150
_cell_measurement_theta_max      66.79
_cell_measurement_theta_min      3.06
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    14.988
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_correction_T_min  0.5533
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0984 before and 0.0702 after correction. The Ratio of minimum to maximum transmission is 0.7348. The λ/2 correction factor is 0.0015.'
_exptl_crystal_colour            'clear green'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.788
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             5504.8
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0635
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            167357
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         66.881
_diffrn_reflns_theta_min         3.063
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9156
_reflns_number_total             9391
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_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)'
_refine_diff_density_max         1.451
_refine_diff_density_min         -1.365
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.209
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     759
_refine_ls_number_reflns         9391
_refine_ls_number_restraints     238
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0437
_refine_ls_restrained_S_all      1.295
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0293P)²+72.8034P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
_refine_ls_wR_factor_ref         0.1038
_refine_special_details          
;
 The complex has a disordered tertiary butyl, due to spinning of the methyl groups.
 The methyl groups have been modelled in two positions with a refined occupancy
 ratio of 0.716:0.284(11). C-C bond distances were restrained to be approximately
 1.53 A and the distance beteen methyl groups was restrained to be approximately
 2.5 A. Due to proximity, opposit atoms (i.e. C31 and C32A, C32 and C33A, and C33
 and C31A) were constrained to have the same ADP.

 The counter-ion was also disordered and this was modelled in two positions with a
 refined occupancy ratio of 0.886:0.114(9). Sb-F bond distances were restrained to be
 the same and F to F distances were restrained to be 2.22 A. Also, due
 to close proximity, corresponding atoms in the major and minor component (e.g. Sb1
 and Sb1A) were constrained to have the same ADP.

 The toluene solvent molecule showed large disorder and was modelled in three positions
 with a refined occupancy ratio of 0.41(2):0.342(18):0.25(2). In each part, the
 phenyl group was constrained to be a regular hexagon and with the atoms approximately
 isotropic. The distance between C58 and C52, C58A and C52A, and C58B and C52B was
 restrained to be 1.49 A and the distance between C58 and C53, C58 and
 C57, C58A and C53A, C58A and C57A, and C58B and C53B, C58B and C57B was restrained to
 be 2.5 A.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C30-C31 = C30-C32 = C30-C33
 1.53 with sigma of 0.02
 C30-C31A = C30-C32A = C30-C33A
 1.53 with sigma of 0.02
 C52-C58
 1.49 with sigma of 0.02
 C52A-C58A
 1.49 with sigma of 0.02
 C52B-C58B
 1.49 with sigma of 0.02
 F2-F3 = F3-F4 = F4-F5 = F5-F2
 2.22 with sigma of 0.04
 F1-F2 = F1-F3 = F1-F4 = F1-F5
 2.22 with sigma of 0.04
 F2A-F3A = F3A-F4A = F4A-F5A = F5A-F2A
 2.22 with sigma of 0.04
 F1A-F2A = F1A-F3A = F1A-F4A = F1A-F5A
 2.22 with sigma of 0.04
 F6A-F2A = F6A-F3A = F6A-F4A = F6A-F5A
 2.22 with sigma of 0.04
 F6-F2 = F6-F3 = F6-F4 = F6-F5
 2.22 with sigma of 0.04
 C31-C32 = C32-C33 = C33-C31
 2.5 with sigma of 0.04
 C31A-C32A = C32A-C33A = C33A-C31A
 2.5 with sigma of 0.04
 C58-C53
 2.5 with sigma of 0.005
 C58-C57
 2.5 with sigma of 0.005
 C58A-C53A
 2.5 with sigma of 0.005
 C58A-C57A
 2.5 with sigma of 0.005
 C58B-C53B
 2.5 with sigma of 0.005
 C58B-C57B
 2.5 with sigma of 0.005
 Sb1-F1 \\sim Sb1A-F1A \\sim Sb1-F2 \\sim Sb1A-F2A \\sim Sb1-F3 \\sim Sb1A-F3A
\\sim Sb1-F4 \\sim Sb1A-F4A
 \\sim Sb1-F5 \\sim Sb1A-F5A \\sim Sb1-F6 \\sim Sb1A-F6A
 with sigma of 0.005
3. Uiso/Uaniso restraints and constraints
Uanis(C52) \\sim Ueq, Uanis(C53) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C55)
\\sim Ueq, Uanis(C56) \\sim Ueq, Uanis(C57) \\sim Ueq, Uanis(C58) \\sim Ueq:
with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C52A) \\sim Ueq, Uanis(C53A) \\sim Ueq, Uanis(C54A) \\sim Ueq,
Uanis(C55A) \\sim Ueq, Uanis(C56A) \\sim Ueq, Uanis(C57A) \\sim Ueq,
Uanis(C58A) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C52B) \\sim Ueq, Uanis(C53B) \\sim Ueq, Uanis(C54B) \\sim Ueq,
Uanis(C55B) \\sim Ueq, Uanis(C56B) \\sim Ueq, Uanis(C57B) \\sim Ueq,
Uanis(C58B) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(Sb1) = Uanis(Sb1A)
Uanis(C31) = Uanis(C32A)
Uanis(C32) = Uanis(C33A)
Uanis(F2) = Uanis(F4A)
Uanis(F4) = Uanis(F2A)
Uanis(F1) = Uanis(F6A)
Uanis(F3) = Uanis(F5A)
Uanis(F5) = Uanis(F3A)
Uanis(F6) = Uanis(F1A)
Uanis(C33) = Uanis(C31A)
4. Others
 1*[Sof(C52)+Sof(C57)+Sof(H57)+Sof(C56)+Sof(H56)+Sof(C55)+Sof(H55)+Sof(C54)+
 Sof(H54)+Sof(C53)+Sof(H53)+Sof(C58)+Sof(H58A)+Sof(H58B)+Sof(H58C)]+1*
 [Sof(C52A)+Sof(C57A)+Sof(H57A)+Sof(C56A)+Sof(H56A)+Sof(C55A)+Sof(H55A)+
 Sof(C54A)+Sof(H54A)+Sof(C53A)+Sof(H53A)+Sof(C58A)+Sof(H58G)+Sof(H58H)+
 Sof(H58I)]+1*[Sof(C52B)+Sof(C53B)+Sof(H53B)+Sof(C54B)+Sof(H54B)+Sof(C55B)+
 Sof(H55B)+Sof(C56B)+Sof(H56B)+Sof(C57B)+Sof(H57B)+Sof(C58B)+Sof(H58D)+
 Sof(H58E)+Sof(H58F)]=1 with esd of 0.005
 Sof(C31A)=Sof(H31D)=Sof(H31E)=Sof(H31F)=Sof(C32A)=Sof(H32D)=Sof(H32E)=
 Sof(H32F)=Sof(C33A)=Sof(H33D)=Sof(H33E)=Sof(H33F)=1-FVAR(1)
 Sof(C31)=Sof(H31A)=Sof(H31B)=Sof(H31C)=Sof(C32)=Sof(H32A)=Sof(H32B)=Sof(H32C)=
 Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=FVAR(1)
 Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(F4A)=Sof(F5A)=Sof(F6A)=Sof(Sb1A)=1-FVAR(2)
 Sof(F1)=Sof(F2)=Sof(F3)=Sof(F4)=Sof(F5)=Sof(F6)=Sof(Sb1)=FVAR(2)
 Sof(C52)=Sof(C57)=Sof(H57)=Sof(C56)=Sof(H56)=Sof(C55)=Sof(H55)=Sof(C54)=
 Sof(H54)=Sof(C53)=Sof(H53)=Sof(C58)=Sof(H58A)=Sof(H58B)=Sof(H58C)=FVAR(3)
 Sof(C52A)=Sof(C57A)=Sof(H57A)=Sof(C56A)=Sof(H56A)=Sof(C55A)=Sof(H55A)=
 Sof(C54A)=Sof(H54A)=Sof(C53A)=Sof(H53A)=Sof(C58A)=Sof(H58G)=Sof(H58H)=
 Sof(H58I)=FVAR(4)
 Sof(C52B)=Sof(C53B)=Sof(H53B)=Sof(C54B)=Sof(H54B)=Sof(C55B)=Sof(H55B)=
 Sof(C56B)=Sof(H56B)=Sof(C57B)=Sof(H57B)=Sof(C58B)=Sof(H58D)=Sof(H58E)=
 Sof(H58F)=FVAR(5)
5.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C10(H10), C12(H12), C13(H13),
 C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C24(H24), C35(H35), C36(H36),
  C37(H37), C38(H38), C39(H39), C41(H41), C42(H42), C43(H43), C44(H44),
 C45(H45), C47(H47), C48(H48), C49(H49), C50(H50), C51(H51), C57(H57), C56(H56),
  C55(H55), C54(H54), C53(H53), C53B(H53B), C54B(H54B), C55B(H55B), C56B(H56B),
 C57B(H57B), C57A(H57A), C56A(H56A), C55A(H55A), C54A(H54A), C53A(H53A)
5.b Fitted hexagon refined as free rotating group:
 C52(C57,C56,C55,C54,C53), C52B(C53B,C54B,C55B,C56B,C57B), C52A(C57A,C56A,C55A,
 C54A,C53A)
5.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C31(H31A,H31B,
 H31C), C31A(H31D,H31E,H31F), C32(H32A,H32B,H32C), C32A(H32D,H32E,H32F),
 C33(H33A,H33B,H33C), C33A(H33D,H33E,H33F), C58(H58A,H58B,H58C), C58B(H58D,H58E,
 H58F), C58A(H58G,H58H,H58I)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.17618(2) 0.28337(2) 0.26519(2) 0.03971(9) Uani 1 1 d . . . . .
Au2 Au 0.06889(2) 0.19227(2) 0.24005(2) 0.03661(9) Uani 1 1 d . . . . .
C1 C 0.0916(3) 0.2649(4) 0.2980(3) 0.0424(16) Uani 1 1 d . . . . .
C2 C 0.1082(3) 0.3117(4) 0.3291(3) 0.0377(15) Uani 1 1 d . . . . .
C3 C 0.1205(3) 0.3635(4) 0.3723(3) 0.0396(15) Uani 1 1 d . . . . .
C4 C 0.1463(3) 0.4313(4) 0.3615(3) 0.0534(19) Uani 1 1 d . . . . .
H4 H 0.1552 0.4447 0.3248 0.064 Uiso 1 1 calc R . . . .
C5 C 0.1589(4) 0.4791(5) 0.4043(4) 0.066(2) Uani 1 1 d . . . . .
H5 H 0.1772 0.5249 0.3971 0.079 Uiso 1 1 calc R . . . .
C6 C 0.1449(4) 0.4602(6) 0.4574(4) 0.072(3) Uani 1 1 d . . . . .
H6 H 0.1534 0.4931 0.4868 0.087 Uiso 1 1 calc R . . . .
C7 C 0.1190(4) 0.3949(6) 0.4678(4) 0.076(3) Uani 1 1 d . . . . .
H7 H 0.1092 0.3824 0.5044 0.091 Uiso 1 1 calc R . . . .
C8 C 0.1067(4) 0.3460(5) 0.4250(3) 0.055(2) Uani 1 1 d . . . . .
H8 H 0.0887 0.3002 0.4327 0.066 Uiso 1 1 calc R . . . .
C9 C 0.0818(3) 0.0929(4) 0.2826(3) 0.0440(17) Uani 1 1 d . . . . .
C10 C 0.0996(3) 0.0810(4) 0.3355(3) 0.0470(17) Uani 1 1 d . . . . .
H10 H 0.1075 0.1228 0.3581 0.056 Uiso 1 1 calc R . . . .
C11 C 0.1062(3) 0.0095(5) 0.3569(4) 0.058(2) Uani 1 1 d . . . . .
C12 C 0.0920(3) -0.0508(5) 0.3232(4) 0.065(2) Uani 1 1 d . . . . .
H12 H 0.0947 -0.1001 0.3372 0.078 Uiso 1 1 calc R . . . .
C13 C 0.0739(3) -0.0396(5) 0.2699(4) 0.064(2) Uani 1 1 d . . . . .
H13 H 0.0646 -0.0815 0.2479 0.077 Uiso 1 1 calc R . . . .
C14 C 0.0692(3) 0.0305(4) 0.2480(3) 0.0450(17) Uani 1 1 d . . . . .
C15 C 0.0546(3) 0.0474(4) 0.1914(3) 0.0445(17) Uani 1 1 d . . . . .
C16 C 0.0457(3) -0.0023(5) 0.1487(4) 0.059(2) Uani 1 1 d . . . . .
H16 H 0.0465 -0.0545 0.1552 0.071 Uiso 1 1 calc R . . . .
C17 C 0.0355(3) 0.0252(5) 0.0959(4) 0.064(2) Uani 1 1 d . . . . .
H17 H 0.0303 -0.0087 0.0664 0.076 Uiso 1 1 calc R . . . .
C18 C 0.0328(3) 0.1006(5) 0.0861(3) 0.060(2) Uani 1 1 d . . . . .
H18 H 0.0255 0.1187 0.0501 0.072 Uiso 1 1 calc R . . . .
C19 C 0.0409(3) 0.1505(5) 0.1294(3) 0.0478(18) Uani 1 1 d . . . . .
C20 C 0.0411(3) 0.2321(5) 0.1283(3) 0.0468(18) Uani 1 1 d . . . . .
C21 C 0.0314(3) 0.2726(6) 0.0806(3) 0.058(2) Uani 1 1 d . . . . .
H21 H 0.0227 0.2477 0.0473 0.070 Uiso 1 1 calc R . . . .
C22 C 0.0345(4) 0.3496(6) 0.0820(4) 0.065(2) Uani 1 1 d . . . . .
H22 H 0.0284 0.3770 0.0491 0.078 Uiso 1 1 calc R . . . .
C23 C 0.0462(3) 0.3882(5) 0.1305(4) 0.058(2) Uani 1 1 d . . . . .
C24 C 0.0555(3) 0.3454(4) 0.1776(3) 0.0491(18) Uani 1 1 d . . . . .
H24 H 0.0637 0.3703 0.2110 0.059 Uiso 1 1 calc R . . . .
C25 C 0.0532(3) 0.2689(4) 0.1778(3) 0.0432(17) Uani 1 1 d . . . . .
C26 C 0.1309(4) -0.0021(6) 0.4153(5) 0.073(3) Uani 1 1 d . . . . .
C27 C 0.1934(4) 0.0050(7) 0.4092(5) 0.085(3) Uani 1 1 d . . . . .
H27A H 0.2073 -0.0360 0.3864 0.128 Uiso 1 1 calc GR . . . .
H27B H 0.2106 0.0027 0.4456 0.128 Uiso 1 1 calc GR . . . .
H27C H 0.2023 0.0527 0.3917 0.128 Uiso 1 1 calc GR . . . .
C28 C 0.1119(5) 0.0591(8) 0.4556(4) 0.095(4) Uani 1 1 d . . . . .
H28A H 0.0716 0.0598 0.4572 0.143 Uiso 1 1 calc GR . . . .
H28B H 0.1253 0.1077 0.4429 0.143 Uiso 1 1 calc GR . . . .
H28C H 0.1268 0.0487 0.4922 0.143 Uiso 1 1 calc GR . . . .
C29 C 0.1153(6) -0.0775(7) 0.4392(6) 0.112(5) Uani 1 1 d . . . . .
H29A H 0.1342 -0.1170 0.4188 0.167 Uiso 1 1 calc GR . . . .
H29B H 0.0754 -0.0845 0.4363 0.167 Uiso 1 1 calc GR . . . .
H29C H 0.1263 -0.0795 0.4779 0.167 Uiso 1 1 calc GR . . . .
C30 C 0.0509(4) 0.4742(5) 0.1316(3) 0.065(2) Uani 1 1 d D . . . .
C31 C 0.0265(9) 0.5071(9) 0.0773(6) 0.108(6) Uani 0.716(11) 1 d D . P A 1
H31A H 0.0485 0.4900 0.0460 0.162 Uiso 0.716(11) 1 calc GR . P A 1
H31B H 0.0274 0.5617 0.0790 0.162 Uiso 0.716(11) 1 calc GR . P A 1
H31C H -0.0116 0.4902 0.0730 0.162 Uiso 0.716(11) 1 calc GR . P A 1
C31A C -0.0049(9) 0.5128(19) 0.127(2) 0.109(6) Uani 0.284(11) 1 d D . P A 2
H31D H -0.0219 0.4999 0.0917 0.164 Uiso 0.284(11) 1 calc GR . P A 2
H31E H 0.0003 0.5670 0.1289 0.164 Uiso 0.284(11) 1 calc GR . P A 2
H31F H -0.0287 0.4965 0.1570 0.164 Uiso 0.284(11) 1 calc GR . P A 2
C32 C 0.0171(8) 0.5027(9) 0.1788(7) 0.095(5) Uani 0.716(11) 1 d D . P A 1
H32A H -0.0213 0.4874 0.1740 0.143 Uiso 0.716(11) 1 calc GR . P A 1
H32B H 0.0192 0.5572 0.1799 0.143 Uiso 0.716(11) 1 calc GR . P A 1
H32C H 0.0314 0.4821 0.2132 0.143 Uiso 0.716(11) 1 calc GR . P A 1
C32A C 0.077(2) 0.501(2) 0.1873(11) 0.108(6) Uani 0.284(11) 1 d D . P A 2
H32D H 0.0549 0.4819 0.2180 0.162 Uiso 0.284(11) 1 calc GR . P A 2
H32E H 0.0778 0.5553 0.1884 0.162 Uiso 0.284(11) 1 calc GR . P A 2
H32F H 0.1147 0.4814 0.1902 0.162 Uiso 0.284(11) 1 calc GR . P A 2
C33 C 0.1109(5) 0.4931(9) 0.1352(10) 0.109(6) Uani 0.716(11) 1 d D . P A 1
H33A H 0.1258 0.4745 0.1700 0.164 Uiso 0.716(11) 1 calc GR . P A 1
H33B H 0.1155 0.5473 0.1334 0.164 Uiso 0.716(11) 1 calc GR . P A 1
H33C H 0.1305 0.4697 0.1045 0.164 Uiso 0.716(11) 1 calc GR . P A 1
C33A C 0.0910(17) 0.506(2) 0.0885(15) 0.095(5) Uani 0.284(11) 1 d D . P A 2
H33D H 0.1243 0.4748 0.0875 0.143 Uiso 0.284(11) 1 calc GR . P A 2
H33E H 0.1008 0.5570 0.0984 0.143 Uiso 0.284(11) 1 calc GR . P A 2
H33F H 0.0734 0.5053 0.0523 0.143 Uiso 0.284(11) 1 calc GR . P A 2
C34 C 0.2434(3) 0.2343(4) 0.1506(3) 0.0397(15) Uani 1 1 d . . . . .
C35 C 0.1925(3) 0.2351(4) 0.1253(3) 0.0393(15) Uani 1 1 d . . . . .
H35 H 0.1631 0.2625 0.1413 0.047 Uiso 1 1 calc R . . . .
C36 C 0.1837(3) 0.1958(4) 0.0764(3) 0.0441(16) Uani 1 1 d . . . . .
H36 H 0.1488 0.1972 0.0588 0.053 Uiso 1 1 calc R . . . .
C37 C 0.2259(3) 0.1556(4) 0.0543(3) 0.054(2) Uani 1 1 d . . . . .
H37 H 0.2200 0.1278 0.0216 0.064 Uiso 1 1 calc R . . . .
C38 C 0.2770(4) 0.1549(6) 0.0788(4) 0.068(3) Uani 1 1 d . . . . .
H38 H 0.3063 0.1280 0.0623 0.081 Uiso 1 1 calc R . . . .
C39 C 0.2858(3) 0.1928(5) 0.1271(3) 0.055(2) Uani 1 1 d . . . . .
H39 H 0.3208 0.1908 0.1444 0.066 Uiso 1 1 calc R . . . .
C40 C 0.2726(3) 0.3794(4) 0.1978(3) 0.0372(14) Uani 1 1 d . . . . .
C41 C 0.2896(4) 0.3998(5) 0.1466(4) 0.064(2) Uani 1 1 d . . . . .
H41 H 0.2918 0.3637 0.1181 0.077 Uiso 1 1 calc R . . . .
C42 C 0.3038(5) 0.4750(5) 0.1359(4) 0.079(3) Uani 1 1 d . . . . .
H42 H 0.3150 0.4897 0.1000 0.095 Uiso 1 1 calc R . . . .
C43 C 0.3014(4) 0.5257(5) 0.1767(4) 0.066(2) Uani 1 1 d . . . . .
H43 H 0.3097 0.5765 0.1694 0.080 Uiso 1 1 calc R . . . .
C44 C 0.2869(4) 0.5042(4) 0.2291(4) 0.065(2) Uani 1 1 d . . . . .
H44 H 0.2871 0.5397 0.2580 0.078 Uiso 1 1 calc R . . . .
C45 C 0.2721(4) 0.4315(4) 0.2396(4) 0.055(2) Uani 1 1 d . . . . .
H45 H 0.2615 0.4172 0.2757 0.066 Uiso 1 1 calc R . . . .
C46 C 0.3124(3) 0.2423(4) 0.2465(3) 0.0422(16) Uani 1 1 d . . . . .
C47 C 0.3645(3) 0.2722(5) 0.2432(4) 0.057(2) Uani 1 1 d . . . . .
H47 H 0.3700 0.3176 0.2238 0.068 Uiso 1 1 calc R . . . .
C48 C 0.4087(4) 0.2378(6) 0.2675(5) 0.076(3) Uani 1 1 d . . . . .
H48 H 0.4440 0.2606 0.2663 0.092 Uiso 1 1 calc R . . . .
C49 C 0.4022(6) 0.1710(7) 0.2932(5) 0.095(4) Uani 1 1 d . . . . .
H49 H 0.4328 0.1463 0.3095 0.114 Uiso 1 1 calc R . . . .
C50 C 0.3514(7) 0.1404(7) 0.2953(6) 0.121(5) Uani 1 1 d . . . . .
H50 H 0.3472 0.0927 0.3118 0.146 Uiso 1 1 calc R . . . .
C51 C 0.3050(6) 0.1755(6) 0.2742(5) 0.099(4) Uani 1 1 d . . . . .
H51 H 0.2694 0.1545 0.2787 0.119 Uiso 1 1 calc R . . . .
C52 C 0.2795(6) 0.2356(9) 0.4313(6) 0.049(6) Uani 0.41(2) 1 d D U P B 1
C57 C 0.2366(6) 0.2073(11) 0.4628(8) 0.070(8) Uani 0.41(2) 1 d DG U P B 1
H57 H 0.1998 0.2229 0.4559 0.084 Uiso 0.41(2) 1 calc R . P B 1
C56 C 0.2474(10) 0.1563(12) 0.5044(8) 0.074(9) Uani 0.41(2) 1 d G U P B 1
H56 H 0.2181 0.1370 0.5260 0.089 Uiso 0.41(2) 1 calc R . P B 1
C55 C 0.3012(11) 0.1336(12) 0.5145(8) 0.085(12) Uani 0.41(2) 1 d G U P B 1
H55 H 0.3086 0.0987 0.5430 0.102 Uiso 0.41(2) 1 calc R . P B 1
C54 C 0.3441(8) 0.1618(12) 0.4830(9) 0.076(9) Uani 0.41(2) 1 d G U P B 1
H54 H 0.3808 0.1463 0.4899 0.091 Uiso 0.41(2) 1 calc R . P B 1
C53 C 0.3332(6) 0.2129(11) 0.4414(8) 0.066(9) Uani 0.41(2) 1 d DG U P B 1
H53 H 0.3626 0.2322 0.4198 0.079 Uiso 0.41(2) 1 calc R . P B 1
C58 C 0.2681(11) 0.2933(12) 0.3884(8) 0.085(10) Uani 0.41(2) 1 d D U P B 1
H58A H 0.2464 0.3339 0.4045 0.128 Uiso 0.41(2) 1 calc GR . P B 1
H58B H 0.2474 0.2707 0.3581 0.128 Uiso 0.41(2) 1 calc GR . P B 1
H58C H 0.3030 0.3132 0.3745 0.128 Uiso 0.41(2) 1 calc GR . P B 1
N1 N 0.0513(2) 0.1209(3) 0.1790(2) 0.0418(14) Uani 1 1 d . . . . .
P1 P 0.25349(7) 0.28444(10) 0.21404(7) 0.0364(4) Uani 1 1 d . . . . .
F1 F 0.4233(3) 0.1964(3) 0.1207(3) 0.098(3) Uani 0.886(9) 1 d D . P C 1
F1A F 0.453(2) 0.1885(19) 0.1354(19) 0.099(3) Uani 0.114(9) 1 d D . P C 2
F2 F 0.4955(6) 0.2975(6) 0.1441(4) 0.200(8) Uani 0.886(9) 1 d D . P C 1
F2A F 0.5379(11) 0.254(4) 0.118(3) 0.241(9) Uani 0.114(9) 1 d D . P C 2
F3 F 0.5067(6) 0.2144(6) 0.0586(7) 0.246(12) Uani 0.886(9) 1 d D . P C 1
F3A F 0.486(3) 0.206(3) 0.0395(17) 0.136(4) Uani 0.114(9) 1 d D . P C 2
F4 F 0.4160(7) 0.2514(8) 0.0267(4) 0.241(9) Uani 0.886(9) 1 d D . P C 1
F4A F 0.4004(9) 0.274(4) 0.073(3) 0.200(8) Uani 0.114(9) 1 d D . P C 2
F5 F 0.4020(3) 0.3339(4) 0.1099(5) 0.136(4) Uani 0.886(9) 1 d D . P C 1
F5A F 0.455(3) 0.322(3) 0.1526(16) 0.246(12) Uani 0.114(9) 1 d D . P C 2
F6 F 0.4823(4) 0.3505(4) 0.0483(3) 0.099(3) Uani 0.886(9) 1 d D . P C 1
F6A F 0.493(2) 0.346(2) 0.058(2) 0.098(3) Uani 0.114(9) 1 d D . P C 2
Sb1 Sb 0.45486(10) 0.27351(7) 0.08635(6) 0.0496(3) Uani 0.886(9) 1 d . . P C 1
Sb1A Sb 0.4697(5) 0.2667(6) 0.0944(5) 0.0496(3) Uani 0.114(9) 1 d . . P C 2
C52B C 0.2643(12) 0.2136(18) 0.4445(12) 0.060(13) Uani 0.25(2) 1 d D U P D 3
C53B C 0.3199(14) 0.218(2) 0.4316(12) 0.074(17) Uani 0.25(2) 1 d DG U P D 3
H53B H 0.3315 0.2472 0.4009 0.088 Uiso 0.25(2) 1 calc R . P D 3
C54B C 0.3585(10) 0.181(2) 0.4634(14) 0.060(13) Uani 0.25(2) 1 d G U P D 3
H54B H 0.3965 0.1843 0.4546 0.072 Uiso 0.25(2) 1 calc R . P D 3
C55B C 0.3415(12) 0.1388(17) 0.5083(13) 0.068(13) Uani 0.25(2) 1 d G U P D 3
H55B H 0.3680 0.1133 0.5300 0.081 Uiso 0.25(2) 1 calc R . P D 3
C56B C 0.2859(14) 0.1340(19) 0.5212(12) 0.055(13) Uani 0.25(2) 1 d G U P D 3
H56B H 0.2743 0.1052 0.5518 0.066 Uiso 0.25(2) 1 calc R . P D 3
C57B C 0.2473(10) 0.171(2) 0.4893(14) 0.069(15) Uani 0.25(2) 1 d DG U P D 3
H57B H 0.2093 0.1681 0.4982 0.083 Uiso 0.25(2) 1 calc R . P D 3
C58B C 0.2225(18) 0.251(5) 0.409(3) 0.18(4) Uani 0.25(2) 1 d D U P D 3
H58D H 0.2176 0.2216 0.3749 0.266 Uiso 0.25(2) 1 calc GR . P D 3
H58E H 0.2351 0.3010 0.3992 0.266 Uiso 0.25(2) 1 calc GR . P D 3
H58F H 0.1873 0.2539 0.4282 0.266 Uiso 0.25(2) 1 calc GR . P D 3
C52A C 0.3219(8) 0.1874(15) 0.4506(11) 0.075(11) Uani 0.342(18) 1 d D U P E 2
C57A C 0.3028(12) 0.2349(17) 0.4097(11) 0.13(2) Uani 0.342(18) 1 d DG U P E 2
H57A H 0.3278 0.2560 0.3841 0.156 Uiso 0.342(18) 1 calc R . P E 2
C56A C 0.2470(13) 0.2515(17) 0.4062(12) 0.091(11) Uani 0.342(18) 1 d G U P E 2
H56A H 0.2339 0.2840 0.3783 0.109 Uiso 0.342(18) 1 calc R . P E 2
C55A C 0.2103(9) 0.221(2) 0.4437(15) 0.113(16) Uani 0.342(18) 1 d G U P E 2
H55A H 0.1722 0.2319 0.4413 0.135 Uiso 0.342(18) 1 calc R . P E 2
C54A C 0.2294(10) 0.1730(19) 0.4846(13) 0.17(3) Uani 0.342(18) 1 d G U P E 2
H54A H 0.2043 0.1519 0.5102 0.203 Uiso 0.342(18) 1 calc R . P E 2
C53A C 0.2852(10) 0.1564(13) 0.4881(9) 0.073(9) Uani 0.342(18) 1 d DG U P E 2
H53A H 0.2982 0.1240 0.5160 0.088 Uiso 0.342(18) 1 calc R . P E 2
C58A C 0.3820(9) 0.171(2) 0.4551(18) 0.121(18) Uani 0.342(18) 1 d D U P E 2
H58G H 0.4010 0.2142 0.4709 0.182 Uiso 0.342(18) 1 calc GR . P E 2
H58H H 0.3970 0.1605 0.4185 0.182 Uiso 0.342(18) 1 calc GR . P E 2
H58I H 0.3876 0.1275 0.4789 0.182 Uiso 0.342(18) 1 calc GR . P E 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Au2 3.1361(5) . ?
Au1 C1 2.230(6) . ?
Au1 C2 2.326(6) . ?
Au1 P1 2.2531(17) . ?
Au2 C1 1.998(7) . ?
Au2 C9 2.085(8) . ?
Au2 C25 2.081(8) . ?
Au2 N1 2.007(5) . ?
C1 C2 1.200(10) . ?
C2 C3 1.433(9) . ?
C3 C4 1.391(10) . ?
C3 C8 1.364(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(11) . ?
C5 H5 0.9500 . ?
C5 C6 1.378(14) . ?
C6 H6 0.9500 . ?
C6 C7 1.352(14) . ?
C7 H7 0.9500 . ?
C7 C8 1.394(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.374(11) . ?
C9 C14 1.432(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.393(12) . ?
C11 C12 1.400(12) . ?
C11 C26 1.556(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.384(13) . ?
C13 H13 0.9500 . ?
C13 C14 1.370(12) . ?
C14 C15 1.455(11) . ?
C15 C16 1.386(10) . ?
C15 N1 1.355(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.397(13) . ?
C17 H17 0.9500 . ?
C17 C18 1.374(13) . ?
C18 H18 0.9500 . ?
C18 C19 1.396(10) . ?
C19 C20 1.463(11) . ?
C19 N1 1.342(10) . ?
C20 C21 1.389(12) . ?
C20 C25 1.405(10) . ?
C21 H21 0.9500 . ?
C21 C22 1.383(13) . ?
C22 H22 0.9500 . ?
C22 C23 1.397(12) . ?
C23 C24 1.398(12) . ?
C23 C30 1.547(12) . ?
C24 H24 0.9500 . ?
C24 C25 1.372(11) . ?
C26 C27 1.531(13) . ?
C26 C28 1.542(15) . ?
C26 C29 1.519(15) . ?
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 1.561(14) . ?
C30 C31A 1.524(18) . ?
C30 C32 1.501(12) . ?
C30 C32A 1.572(18) . ?
C30 C33 1.499(13) . ?
C30 C33A 1.537(18) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C31A H31D 0.9800 . ?
C31A H31E 0.9800 . ?
C31A H31F 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C32A H32D 0.9800 . ?
C32A H32E 0.9800 . ?
C32A H32F 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C33A H33D 0.9800 . ?
C33A H33E 0.9800 . ?
C33A H33F 0.9800 . ?
C34 C35 1.381(10) . ?
C34 C39 1.393(10) . ?
C34 P1 1.804(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.399(10) . ?
C36 H36 0.9500 . ?
C36 C37 1.364(11) . ?
C37 H37 0.9500 . ?
C37 C38 1.378(12) . ?
C38 H38 0.9500 . ?
C38 C39 1.374(11) . ?
C39 H39 0.9500 . ?
C40 C41 1.363(10) . ?
C40 C45 1.382(10) . ?
C40 P1 1.808(7) . ?
C41 H41 0.9500 . ?
C41 C42 1.416(12) . ?
C42 H42 0.9500 . ?
C42 C43 1.349(14) . ?
C43 H43 0.9500 . ?
C43 C44 1.376(13) . ?
C44 H44 0.9500 . ?
C44 C45 1.376(11) . ?
C45 H45 0.9500 . ?
C46 C47 1.377(11) . ?
C46 C51 1.387(12) . ?
C46 P1 1.800(7) . ?
C47 H47 0.9500 . ?
C47 C48 1.373(12) . ?
C48 H48 0.9500 . ?
C48 C49 1.361(16) . ?
C49 H49 0.9500 . ?
C49 C50 1.352(19) . ?
C50 H50 0.9500 . ?
C50 C51 1.388(18) . ?
C51 H51 0.9500 . ?
C52 C57 1.3900 . ?
C52 C53 1.3900 . ?
C52 C58 1.495(4) . ?
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 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
F1 Sb1 1.789(4) . ?
F1A Sb1A 1.771(5) . ?
F2 Sb1 1.771(4) . ?
F2A Sb1A 1.769(5) . ?
F3 Sb1 1.779(4) . ?
F3A Sb1A 1.769(5) . ?
F4 Sb1 1.775(4) . ?
F4A Sb1A 1.768(5) . ?
F5 Sb1 1.776(4) . ?
F5A Sb1A 1.769(5) . ?
F6 Sb1 1.791(4) . ?
F6A Sb1A 1.770(5) . ?
C52B C53B 1.3900 . ?
C52B C57B 1.3900 . ?
C52B C58B 1.496(4) . ?
C53B H53B 0.9500 . ?
C53B C54B 1.3900 . ?
C54B H54B 0.9500 . ?
C54B C55B 1.3900 . ?
C55B H55B 0.9500 . ?
C55B C56B 1.3900 . ?
C56B H56B 0.9500 . ?
C56B C57B 1.3900 . ?
C57B H57B 0.9500 . ?
C58B H58D 0.9800 . ?
C58B H58E 0.9800 . ?
C58B H58F 0.9800 . ?
C52A C57A 1.3900 . ?
C52A C53A 1.3900 . ?
C52A C58A 1.495(4) . ?
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 . ?
C58A H58G 0.9800 . ?
C58A H58H 0.9800 . ?
C58A H58I 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 Au2 39.34(19) . . ?
C1 Au1 C2 30.5(2) . . ?
C1 Au1 P1 165.35(19) . . ?
C2 Au1 Au2 69.76(16) . . ?
P1 Au1 Au2 126.11(4) . . ?
P1 Au1 C2 163.72(17) . . ?
C1 Au2 Au1 45.03(17) . . ?
C1 Au2 C9 99.5(3) . . ?
C1 Au2 C25 97.7(3) . . ?
C1 Au2 N1 175.8(2) . . ?
C9 Au2 Au1 102.90(18) . . ?
C25 Au2 Au1 87.13(18) . . ?
C25 Au2 C9 162.5(3) . . ?
N1 Au2 Au1 130.80(15) . . ?
N1 Au2 C9 81.6(3) . . ?
N1 Au2 C25 81.0(3) . . ?
Au2 C1 Au1 95.6(3) . . ?
C2 C1 Au1 79.2(4) . . ?
C2 C1 Au2 173.9(6) . . ?
C1 C2 Au1 70.3(4) . . ?
C1 C2 C3 170.3(7) . . ?
C3 C2 Au1 118.8(5) . . ?
C4 C3 C2 121.5(7) . . ?
C8 C3 C2 119.2(7) . . ?
C8 C3 C4 119.3(7) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 C3 119.9(8) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 119.9(8) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.9 . . ?
C7 C6 C5 120.2(8) . . ?
C7 C6 H6 119.9 . . ?
C6 C7 H7 119.9 . . ?
C6 C7 C8 120.3(9) . . ?
C8 C7 H7 119.9 . . ?
C3 C8 C7 120.4(8) . . ?
C3 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 Au2 130.1(6) . . ?
C10 C9 C14 119.8(7) . . ?
C14 C9 Au2 110.1(6) . . ?
C9 C10 H10 119.0 . . ?
C9 C10 C11 121.9(7) . . ?
C11 C10 H10 119.0 . . ?
C10 C11 C12 117.6(8) . . ?
C10 C11 C26 120.6(8) . . ?
C12 C11 C26 121.8(8) . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 121.0(8) . . ?
C13 C12 H12 119.5 . . ?
C12 C13 H13 119.2 . . ?
C14 C13 C12 121.6(8) . . ?
C14 C13 H13 119.2 . . ?
C9 C14 C15 116.5(7) . . ?
C13 C14 C9 118.1(8) . . ?
C13 C14 C15 125.4(7) . . ?
C16 C15 C14 128.0(8) . . ?
N1 C15 C14 115.3(6) . . ?
N1 C15 C16 116.7(8) . . ?
C15 C16 H16 120.3 . . ?
C15 C16 C17 119.3(9) . . ?
C17 C16 H16 120.3 . . ?
C16 C17 H17 119.5 . . ?
C18 C17 C16 121.0(7) . . ?
C18 C17 H17 119.5 . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.5(9) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C20 128.9(8) . . ?
N1 C19 C18 116.8(8) . . ?
N1 C19 C20 114.3(6) . . ?
C21 C20 C19 122.6(7) . . ?
C21 C20 C25 120.4(8) . . ?
C25 C20 C19 117.0(7) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 C20 119.5(8) . . ?
C22 C21 H21 120.2 . . ?
C21 C22 H22 119.1 . . ?
C21 C22 C23 121.8(8) . . ?
C23 C22 H22 119.1 . . ?
C22 C23 C24 116.9(8) . . ?
C22 C23 C30 121.6(8) . . ?
C24 C23 C30 121.5(8) . . ?
C23 C24 H24 118.5 . . ?
C25 C24 C23 123.1(7) . . ?
C25 C24 H24 118.5 . . ?
C20 C25 Au2 110.6(6) . . ?
C24 C25 Au2 131.0(6) . . ?
C24 C25 C20 118.3(7) . . ?
C27 C26 C11 106.4(8) . . ?
C27 C26 C28 107.3(9) . . ?
C28 C26 C11 111.8(8) . . ?
C29 C26 C11 111.9(9) . . ?
C29 C26 C27 110.9(9) . . ?
C29 C26 C28 108.4(10) . . ?
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 109.5(9) . . ?
C23 C30 C32A 110.2(16) . . ?
C31A C30 C23 112.8(15) . . ?
C31A C30 C32A 107(2) . . ?
C31A C30 C33A 110(2) . . ?
C32 C30 C23 108.2(8) . . ?
C32 C30 C31 108.2(11) . . ?
C33 C30 C23 107.2(9) . . ?
C33 C30 C31 109.4(11) . . ?
C33 C30 C32 114.2(12) . . ?
C33A C30 C23 113.6(16) . . ?
C33A C30 C32A 102.8(19) . . ?
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 C31A H31D 109.5 . . ?
C30 C31A H31E 109.5 . . ?
C30 C31A H31F 109.5 . . ?
H31D C31A H31E 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 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 C32A H32D 109.5 . . ?
C30 C32A H32E 109.5 . . ?
C30 C32A H32F 109.5 . . ?
H32D C32A H32E 109.5 . . ?
H32D C32A H32F 109.5 . . ?
H32E C32A H32F 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 . . ?
C30 C33A H33D 109.5 . . ?
C30 C33A H33E 109.5 . . ?
C30 C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C35 C34 C39 119.0(6) . . ?
C35 C34 P1 119.9(5) . . ?
C39 C34 P1 121.1(6) . . ?
C34 C35 H35 119.6 . . ?
C34 C35 C36 120.7(7) . . ?
C36 C35 H35 119.6 . . ?
C35 C36 H36 120.5 . . ?
C37 C36 C35 119.1(7) . . ?
C37 C36 H36 120.5 . . ?
C36 C37 H37 119.6 . . ?
C36 C37 C38 120.7(7) . . ?
C38 C37 H37 119.6 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.4(8) . . ?
C39 C38 H38 119.8 . . ?
C34 C39 H39 120.0 . . ?
C38 C39 C34 120.0(7) . . ?
C38 C39 H39 120.0 . . ?
C41 C40 C45 119.6(7) . . ?
C41 C40 P1 122.1(6) . . ?
C45 C40 P1 118.3(5) . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 119.9(8) . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.2 . . ?
C43 C42 C41 119.6(9) . . ?
C43 C42 H42 120.2 . . ?
C42 C43 H43 119.8 . . ?
C42 C43 C44 120.3(8) . . ?
C44 C43 H43 119.8 . . ?
C43 C44 H44 119.8 . . ?
C43 C44 C45 120.3(9) . . ?
C45 C44 H44 119.8 . . ?
C40 C45 H45 120.0 . . ?
C44 C45 C40 120.1(8) . . ?
C44 C45 H45 120.0 . . ?
C47 C46 C51 118.9(8) . . ?
C47 C46 P1 122.9(6) . . ?
C51 C46 P1 118.2(7) . . ?
C46 C47 H47 119.4 . . ?
C48 C47 C46 121.3(8) . . ?
C48 C47 H47 119.4 . . ?
C47 C48 H48 119.9 . . ?
C49 C48 C47 120.2(10) . . ?
C49 C48 H48 119.9 . . ?
C48 C49 H49 120.6 . . ?
C50 C49 C48 118.7(10) . . ?
C50 C49 H49 120.6 . . ?
C49 C50 H50 118.6 . . ?
C49 C50 C51 122.9(11) . . ?
C51 C50 H50 118.6 . . ?
C46 C51 C50 117.8(11) . . ?
C46 C51 H51 121.1 . . ?
C50 C51 H51 121.1 . . ?
C57 C52 C53 120.0 . . ?
C57 C52 C58 120.0(3) . . ?
C53 C52 C58 120.0(3) . . ?
C52 C57 H57 120.0 . . ?
C56 C57 C52 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C56 H56 120.0 . . ?
C55 C56 C57 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C56 C55 C54 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 . . ?
C52 C58 H58A 109.5 . . ?
C52 C58 H58B 109.5 . . ?
C52 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C15 N1 Au2 116.3(5) . . ?
C19 N1 Au2 117.0(5) . . ?
C19 N1 C15 126.6(6) . . ?
C34 P1 Au1 110.8(2) . . ?
C34 P1 C40 108.5(3) . . ?
C40 P1 Au1 110.1(2) . . ?
C46 P1 Au1 114.7(2) . . ?
C46 P1 C34 105.9(3) . . ?
C46 P1 C40 106.6(3) . . ?
F1 Sb1 F6 175.7(4) . . ?
F2 Sb1 F1 93.2(5) . . ?
F2 Sb1 F3 92.9(8) . . ?
F2 Sb1 F4 177.6(6) . . ?
F2 Sb1 F5 89.9(6) . . ?
F2 Sb1 F6 90.9(4) . . ?
F3 Sb1 F1 91.1(4) . . ?
F3 Sb1 F6 90.0(4) . . ?
F4 Sb1 F1 89.0(5) . . ?
F4 Sb1 F3 86.2(8) . . ?
F4 Sb1 F5 90.9(7) . . ?
F4 Sb1 F6 87.0(5) . . ?
F5 Sb1 F1 90.6(3) . . ?
F5 Sb1 F3 176.6(7) . . ?
F5 Sb1 F6 88.0(4) . . ?
F2A Sb1A F1A 85.9(15) . . ?
F2A Sb1A F3A 87.8(15) . . ?
F2A Sb1A F5A 90.3(16) . . ?
F2A Sb1A F6A 88.4(16) . . ?
F3A Sb1A F1A 89.2(16) . . ?
F3A Sb1A F6A 92.8(16) . . ?
F4A Sb1A F1A 90.4(15) . . ?
F4A Sb1A F2A 176.2(18) . . ?
F4A Sb1A F3A 91.8(16) . . ?
F4A Sb1A F5A 89.8(16) . . ?
F4A Sb1A F6A 95.4(16) . . ?
F5A Sb1A F1A 86.9(15) . . ?
F5A Sb1A F3A 175.8(18) . . ?
F5A Sb1A F6A 90.9(16) . . ?
F6A Sb1A F1A 173.8(18) . . ?
C53B C52B C57B 120.0 . . ?
C53B C52B C58B 120.0(3) . . ?
C57B C52B C58B 119.9(3) . . ?
C52B C53B H53B 120.0 . . ?
C54B C53B C52B 120.0 . . ?
C54B C53B H53B 120.0 . . ?
C53B C54B H54B 120.0 . . ?
C55B C54B C53B 120.0 . . ?
C55B C54B H54B 120.0 . . ?
C54B C55B H55B 120.0 . . ?
C54B C55B C56B 120.0 . . ?
C56B C55B H55B 120.0 . . ?
C55B C56B H56B 120.0 . . ?
C57B C56B C55B 120.0 . . ?
C57B C56B H56B 120.0 . . ?
C52B C57B H57B 120.0 . . ?
C56B C57B C52B 120.0 . . ?
C56B C57B H57B 120.0 . . ?
C52B C58B H58D 109.5 . . ?
C52B C58B H58E 109.5 . . ?
C52B C58B H58F 109.5 . . ?
H58D C58B H58E 109.5 . . ?
H58D C58B H58F 109.5 . . ?
H58E C58B H58F 109.5 . . ?
C57A C52A C53A 120.0 . . ?
C57A C52A C58A 120.0(3) . . ?
C53A C52A C58A 120.0(3) . . ?
C52A C57A H57A 120.0 . . ?
C56A C57A C52A 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 . . ?
C56A C55A C54A 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 . . ?
C52A C58A H58G 109.5 . . ?
C52A C58A H58H 109.5 . . ?
C52A C58A H58I 109.5 . . ?
H58G C58A H58H 109.5 . . ?
H58G C58A H58I 109.5 . . ?
H58H C58A H58I 109.5 . . ?

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
_geom_torsion_publ_flag
Au1 C2 C3 C4 47.3(9) . . . . ?
Au1 C2 C3 C8 -132.8(6) . . . . ?
Au2 C9 C10 C11 -179.5(5) . . . . ?
Au2 C9 C14 C13 -178.3(6) . . . . ?
Au2 C9 C14 C15 4.4(7) . . . . ?
C2 C3 C4 C5 -178.3(8) . . . . ?
C2 C3 C8 C7 179.1(8) . . . . ?
C3 C4 C5 C6 -1.4(14) . . . . ?
C4 C3 C8 C7 -1.0(13) . . . . ?
C4 C5 C6 C7 0.2(16) . . . . ?
C5 C6 C7 C8 0.5(17) . . . . ?
C6 C7 C8 C3 -0.2(15) . . . . ?
C8 C3 C4 C5 1.7(12) . . . . ?
C9 C10 C11 C12 -2.6(11) . . . . ?
C9 C10 C11 C26 175.0(7) . . . . ?
C9 C14 C15 C16 173.4(7) . . . . ?
C9 C14 C15 N1 -4.0(9) . . . . ?
C10 C9 C14 C13 1.7(10) . . . . ?
C10 C9 C14 C15 -175.6(6) . . . . ?
C10 C11 C12 C13 2.5(12) . . . . ?
C10 C11 C26 C27 -80.2(10) . . . . ?
C10 C11 C26 C28 36.7(12) . . . . ?
C10 C11 C26 C29 158.5(9) . . . . ?
C11 C12 C13 C14 -0.2(13) . . . . ?
C12 C11 C26 C27 97.3(10) . . . . ?
C12 C11 C26 C28 -145.8(9) . . . . ?
C12 C11 C26 C29 -23.9(13) . . . . ?
C12 C13 C14 C9 -1.8(12) . . . . ?
C12 C13 C14 C15 175.2(7) . . . . ?
C13 C14 C15 C16 -3.6(12) . . . . ?
C13 C14 C15 N1 178.9(7) . . . . ?
C14 C9 C10 C11 0.6(10) . . . . ?
C14 C15 C16 C17 -175.8(7) . . . . ?
C14 C15 N1 Au2 1.4(7) . . . . ?
C14 C15 N1 C19 177.0(6) . . . . ?
C15 C16 C17 C18 -1.7(12) . . . . ?
C16 C15 N1 Au2 -176.3(5) . . . . ?
C16 C15 N1 C19 -0.8(10) . . . . ?
C16 C17 C18 C19 0.7(12) . . . . ?
C17 C18 C19 C20 178.5(7) . . . . ?
C17 C18 C19 N1 0.3(11) . . . . ?
C18 C19 C20 C21 1.5(12) . . . . ?
C18 C19 C20 C25 -176.8(7) . . . . ?
C18 C19 N1 Au2 175.3(5) . . . . ?
C18 C19 N1 C15 -0.2(10) . . . . ?
C19 C20 C21 C22 -177.3(7) . . . . ?
C19 C20 C25 Au2 0.8(8) . . . . ?
C19 C20 C25 C24 177.9(6) . . . . ?
C20 C19 N1 Au2 -3.2(7) . . . . ?
C20 C19 N1 C15 -178.7(6) . . . . ?
C20 C21 C22 C23 -1.1(13) . . . . ?
C21 C20 C25 Au2 -177.5(6) . . . . ?
C21 C20 C25 C24 -0.4(10) . . . . ?
C21 C22 C23 C24 0.8(13) . . . . ?
C21 C22 C23 C30 178.6(8) . . . . ?
C22 C23 C24 C25 -0.3(12) . . . . ?
C22 C23 C30 C31 14.1(14) . . . . ?
C22 C23 C30 C31A 74(2) . . . . ?
C22 C23 C30 C32 131.8(11) . . . . ?
C22 C23 C30 C32A -167(2) . . . . ?
C22 C23 C30 C33 -104.6(13) . . . . ?
C22 C23 C30 C33A -53(2) . . . . ?
C23 C24 C25 Au2 176.5(6) . . . . ?
C23 C24 C25 C20 0.1(11) . . . . ?
C24 C23 C30 C31 -168.1(11) . . . . ?
C24 C23 C30 C31A -109(2) . . . . ?
C24 C23 C30 C32 -50.4(13) . . . . ?
C24 C23 C30 C32A 10(2) . . . . ?
C24 C23 C30 C33 73.2(13) . . . . ?
C24 C23 C30 C33A 125(2) . . . . ?
C25 C20 C21 C22 0.9(12) . . . . ?
C26 C11 C12 C13 -175.2(8) . . . . ?
C30 C23 C24 C25 -178.1(7) . . . . ?
C34 C35 C36 C37 1.0(11) . . . . ?
C35 C34 C39 C38 1.5(12) . . . . ?
C35 C34 P1 Au1 33.3(6) . . . . ?
C35 C34 P1 C40 -87.6(6) . . . . ?
C35 C34 P1 C46 158.2(6) . . . . ?
C35 C36 C37 C38 -1.5(12) . . . . ?
C36 C37 C38 C39 2.1(14) . . . . ?
C37 C38 C39 C34 -2.0(15) . . . . ?
C39 C34 C35 C36 -1.0(11) . . . . ?
C39 C34 P1 Au1 -144.9(6) . . . . ?
C39 C34 P1 C40 94.2(7) . . . . ?
C39 C34 P1 C46 -20.0(7) . . . . ?
C40 C41 C42 C43 1.1(16) . . . . ?
C41 C40 C45 C44 2.1(12) . . . . ?
C41 C40 P1 Au1 -136.5(6) . . . . ?
C41 C40 P1 C34 -15.1(8) . . . . ?
C41 C40 P1 C46 98.6(7) . . . . ?
C41 C42 C43 C44 2.2(16) . . . . ?
C42 C43 C44 C45 -3.3(15) . . . . ?
C43 C44 C45 C40 1.2(14) . . . . ?
C45 C40 C41 C42 -3.2(14) . . . . ?
C45 C40 P1 Au1 46.3(6) . . . . ?
C45 C40 P1 C34 167.7(6) . . . . ?
C45 C40 P1 C46 -78.6(6) . . . . ?
C46 C47 C48 C49 3.1(16) . . . . ?
C47 C46 C51 C50 -2.9(18) . . . . ?
C47 C46 P1 Au1 -138.8(6) . . . . ?
C47 C46 P1 C34 98.7(7) . . . . ?
C47 C46 P1 C40 -16.8(8) . . . . ?
C47 C48 C49 C50 -1.3(19) . . . . ?
C48 C49 C50 C51 -3(2) . . . . ?
C49 C50 C51 C46 5(2) . . . . ?
C51 C46 C47 C48 -0.9(14) . . . . ?
C51 C46 P1 Au1 43.5(9) . . . . ?
C51 C46 P1 C34 -79.1(9) . . . . ?
C51 C46 P1 C40 165.5(8) . . . . ?
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 . . . . ?
C58 C52 C57 C56 -176.9(19) . . . . ?
C58 C52 C53 C54 176.9(19) . . . . ?
N1 C15 C16 C17 1.7(11) . . . . ?
N1 C19 C20 C21 179.8(7) . . . . ?
N1 C19 C20 C25 1.5(9) . . . . ?
P1 C34 C35 C36 -179.3(5) . . . . ?
P1 C34 C39 C38 179.7(7) . . . . ?
P1 C40 C41 C42 179.6(8) . . . . ?
P1 C40 C45 C44 179.4(7) . . . . ?
P1 C46 C47 C48 -178.6(8) . . . . ?
P1 C46 C51 C50 174.9(11) . . . . ?
C52B C53B C54B C55B 0.0 . . . . ?
C53B C52B C57B C56B 0.0 . . . . ?
C53B C54B C55B C56B 0.0 . . . . ?
C54B C55B C56B C57B 0.0 . . . . ?
C55B C56B C57B C52B 0.0 . . . . ?
C57B C52B C53B C54B 0.0 . . . . ?
C58B C52B C53B C54B -177(6) . . . . ?
C58B C52B C57B C56B 177(5) . . . . ?
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 . . . . ?
C58A C52A C57A C56A -179(3) . . . . ?
C58A C52A C53A C54A 179(3) . . . . ?

_olex2_computing_structure_refinement_long 'ShelXL (Sheldrick, 2008)'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_[6]SbF6
_database_code_depnum_ccdc_archive 'CCDC 1032553'
_audit_update_record             
;
2014-11-04 deposited with the CCDC.
2015-04-30 downloaded from the CCDC.
;
_audit_creation_date             2014-02-23
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.02.11 svn.r2872 for OlexSys, GUI svn.r4767)
;
_shelxl_version_number           2013-4
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C66 H64 Au3 N2, F6 Sb'
_chemical_formula_sum            'C66 H64 Au3 F6 N2 Sb'
_chemical_formula_weight         1711.84
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C66 H64 Au3 F6 N2 Sb1'
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   16.33309(17)
_cell_length_b                   18.64797(16)
_cell_length_c                   18.79354(18)
_cell_angle_alpha                90
_cell_angle_beta                 91.0581(9)
_cell_angle_gamma                90
_cell_volume                     5723.14(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    12921
_cell_measurement_temperature    110.05(10)
_cell_measurement_theta_max      30.4080
_cell_measurement_theta_min      3.4250
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.196
_exptl_absorpt_correction_T_max  0.697
_exptl_absorpt_correction_T_min  0.396
_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    1.987
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.145
_exptl_crystal_size_mid          0.0487
_exptl_crystal_size_min          0.0483
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0255
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.878
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            33742
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.878
_diffrn_reflns_theta_full        26.32
_diffrn_reflns_theta_max         30.418
_diffrn_reflns_theta_min         2.911
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      110.05(10)
_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 0.878
_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      0.0098970000
_diffrn_orient_matrix_UB_12      -0.0192493000
_diffrn_orient_matrix_UB_13      0.0315236000
_diffrn_orient_matrix_UB_21      0.0217212000
_diffrn_orient_matrix_UB_22      0.0301985000
_diffrn_orient_matrix_UB_23      0.0134491000
_diffrn_orient_matrix_UB_31      -0.0363108000
_diffrn_orient_matrix_UB_32      0.0127914000
_diffrn_orient_matrix_UB_33      0.0158018000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12881
_reflns_number_total             15270
_reflns_odcompleteness_completeness 99.80
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_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    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         1.220
_refine_diff_density_min         -1.572
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     715
_refine_ls_number_reflns         15270
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0254
_refine_ls_restrained_S_all      1.039
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0160P)²+9.8093P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0504
_refine_ls_wR_factor_ref         0.0546
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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 0.25077(2) 0.72651(2) 0.54027(2) 0.01660(3) Uani 1 1 d . . . . .
Au2 Au 0.38686(2) 0.60399(2) 0.50930(2) 0.01203(3) Uani 1 1 d . . . . .
Au3 Au 0.11101(2) 0.59381(2) 0.53143(2) 0.01192(3) Uani 1 1 d . . . . .
C1 C 0.3796(2) 0.7041(2) 0.54276(18) 0.0163(7) Uani 1 1 d . . . . .
C2 C 0.3861(2) 0.7690(2) 0.55400(18) 0.0171(7) Uani 1 1 d . . . . .
C3 C 0.4077(2) 0.8432(2) 0.56444(19) 0.0168(7) Uani 1 1 d . . . . .
C4 C 0.4627(2) 0.8624(2) 0.6182(2) 0.0245(9) Uani 1 1 d . . . . .
H4 H 0.4854 0.8268 0.6488 0.029 Uiso 1 1 calc R . . . .
C5 C 0.4843(3) 0.9332(2) 0.6270(2) 0.0296(10) Uani 1 1 d . . . . .
H5 H 0.5225 0.9463 0.6635 0.035 Uiso 1 1 calc R . . . .
C6 C 0.4510(3) 0.9852(2) 0.5833(2) 0.0291(10) Uani 1 1 d . . . . .
H6 H 0.4657 1.0341 0.5900 0.035 Uiso 1 1 calc R . . . .
C7 C 0.3966(3) 0.9665(2) 0.5303(2) 0.0313(10) Uani 1 1 d . . . . .
H7 H 0.3731 1.0026 0.5007 0.038 Uiso 1 1 calc R . . . .
C8 C 0.3758(3) 0.8960(2) 0.5195(2) 0.0259(9) Uani 1 1 d . . . . .
H8 H 0.3396 0.8832 0.4814 0.031 Uiso 1 1 calc R . . . .
C9 C 0.4544(2) 0.6287(2) 0.42095(18) 0.0151(7) Uani 1 1 d . . . . .
C10 C 0.4854(2) 0.6931(2) 0.39893(18) 0.0157(7) Uani 1 1 d . . . . .
H10 H 0.4737 0.7350 0.4255 0.019 Uiso 1 1 calc R . . . .
C11 C 0.5344(2) 0.6993(2) 0.33802(18) 0.0168(7) Uani 1 1 d . . . . .
C12 C 0.5512(2) 0.6366(2) 0.30110(18) 0.0180(8) Uani 1 1 d . . . . .
H12 H 0.5846 0.6390 0.2603 0.022 Uiso 1 1 calc R . . . .
C13 C 0.5207(2) 0.5705(2) 0.32204(18) 0.0175(7) Uani 1 1 d . . . . .
H13 H 0.5331 0.5287 0.2955 0.021 Uiso 1 1 calc R . . . .
C14 C 0.4718(2) 0.5653(2) 0.38189(18) 0.0158(7) Uani 1 1 d . . . . .
C15 C 0.4382(2) 0.4975(2) 0.40867(17) 0.0142(7) Uani 1 1 d . . . . .
C16 C 0.4456(2) 0.4292(2) 0.38145(19) 0.0176(7) Uani 1 1 d . . . . .
H16 H 0.4753 0.4213 0.3392 0.021 Uiso 1 1 calc R . . . .
C17 C 0.4093(2) 0.3719(2) 0.41611(19) 0.0194(8) Uani 1 1 d . . . . .
H17 H 0.4146 0.3249 0.3973 0.023 Uiso 1 1 calc R . . . .
C18 C 0.3653(2) 0.3826(2) 0.47809(19) 0.0177(7) Uani 1 1 d . . . . .
H18 H 0.3400 0.3434 0.5013 0.021 Uiso 1 1 calc R . . . .
C19 C 0.3593(2) 0.4513(2) 0.50507(18) 0.0147(7) Uani 1 1 d . . . . .
C20 C 0.3196(2) 0.47531(19) 0.57093(17) 0.0134(7) Uani 1 1 d . . . . .
C21 C 0.2816(2) 0.4281(2) 0.61786(18) 0.0161(7) Uani 1 1 d . . . . .
H21 H 0.2752 0.3789 0.6057 0.019 Uiso 1 1 calc R . . . .
C22 C 0.2535(2) 0.4537(2) 0.68238(19) 0.0170(7) Uani 1 1 d . . . . .
H22 H 0.2275 0.4215 0.7139 0.020 Uiso 1 1 calc R . . . .
C23 C 0.2623(2) 0.5250(2) 0.70209(18) 0.0150(7) Uani 1 1 d . . . . .
C24 C 0.2976(2) 0.5723(2) 0.65333(18) 0.0147(7) Uani 1 1 d . . . . .
H24 H 0.3020 0.6217 0.6650 0.018 Uiso 1 1 calc R . . . .
C25 C 0.3262(2) 0.54815(19) 0.58819(18) 0.0136(7) Uani 1 1 d . . . . .
C26 C 0.5662(2) 0.7735(2) 0.31709(18) 0.0190(8) Uani 1 1 d . . . . .
C27 C 0.6148(3) 0.8067(3) 0.3794(2) 0.0325(10) Uani 1 1 d . . . . .
H27A H 0.6355 0.8538 0.3653 0.049 Uiso 1 1 calc GR . . . .
H27B H 0.6608 0.7754 0.3923 0.049 Uiso 1 1 calc GR . . . .
H27C H 0.5790 0.8122 0.4203 0.049 Uiso 1 1 calc GR . . . .
C28 C 0.6224(3) 0.7702(2) 0.2535(2) 0.0281(9) Uani 1 1 d . . . . .
H28A H 0.6401 0.8188 0.2411 0.042 Uiso 1 1 calc GR . . . .
H28B H 0.5930 0.7488 0.2128 0.042 Uiso 1 1 calc GR . . . .
H28C H 0.6705 0.7408 0.2656 0.042 Uiso 1 1 calc GR . . . .
C29 C 0.4927(3) 0.8221(3) 0.2982(2) 0.0334(11) Uani 1 1 d . . . . .
H29A H 0.4557 0.8242 0.3386 0.050 Uiso 1 1 calc GR . . . .
H29B H 0.4632 0.8025 0.2566 0.050 Uiso 1 1 calc GR . . . .
H29C H 0.5123 0.8704 0.2872 0.050 Uiso 1 1 calc GR . . . .
C30 C 0.2403(2) 0.5508(2) 0.77745(18) 0.0163(7) Uani 1 1 d . . . . .
C31 C 0.3140(2) 0.5336(2) 0.8267(2) 0.0235(8) Uani 1 1 d . . . . .
H31A H 0.3624 0.5593 0.8102 0.035 Uiso 1 1 calc GR . . . .
H31B H 0.3245 0.4818 0.8260 0.035 Uiso 1 1 calc GR . . . .
H31C H 0.3019 0.5486 0.8754 0.035 Uiso 1 1 calc GR . . . .
C32 C 0.1645(2) 0.5125(2) 0.80457(19) 0.0234(9) Uani 1 1 d . . . . .
H32A H 0.1509 0.5313 0.8516 0.035 Uiso 1 1 calc GR . . . .
H32B H 0.1754 0.4610 0.8081 0.035 Uiso 1 1 calc GR . . . .
H32C H 0.1184 0.5207 0.7714 0.035 Uiso 1 1 calc GR . . . .
C33 C 0.2243(3) 0.6313(2) 0.7790(2) 0.0291(10) Uani 1 1 d . . . . .
H33A H 0.2748 0.6570 0.7678 0.044 Uiso 1 1 calc GR . . . .
H33B H 0.2062 0.6452 0.8264 0.044 Uiso 1 1 calc GR . . . .
H33C H 0.1816 0.6433 0.7436 0.044 Uiso 1 1 calc GR . . . .
C34 C 0.1215(2) 0.6994(2) 0.53168(18) 0.0162(7) Uani 1 1 d . . . . .
C35 C 0.1200(2) 0.7648(2) 0.53253(18) 0.0178(8) Uani 1 1 d . . . . .
C36 C 0.1038(2) 0.8414(2) 0.53856(18) 0.0171(7) Uani 1 1 d . . . . .
C37 C 0.1514(3) 0.8920(2) 0.5050(2) 0.0236(9) Uani 1 1 d . . . . .
H37 H 0.1940 0.8770 0.4747 0.028 Uiso 1 1 calc R . . . .
C38 C 0.1372(3) 0.9639(2) 0.5152(2) 0.0301(10) Uani 1 1 d . . . . .
H38 H 0.1709 0.9983 0.4927 0.036 Uiso 1 1 calc R . . . .
C39 C 0.0751(3) 0.9860(2) 0.5574(2) 0.0331(11) Uani 1 1 d . . . . .
H39 H 0.0660 1.0358 0.5645 0.040 Uiso 1 1 calc R . . . .
C40 C 0.0250(3) 0.9362(3) 0.5903(2) 0.0323(10) Uani 1 1 d . . . . .
H40 H -0.0191 0.9518 0.6187 0.039 Uiso 1 1 calc R . . . .
C41 C 0.0400(2) 0.8639(2) 0.5813(2) 0.0227(8) Uani 1 1 d . . . . .
H41 H 0.0067 0.8295 0.6043 0.027 Uiso 1 1 calc R . . . .
C42 C 0.1706(2) 0.56972(19) 0.43712(17) 0.0135(7) Uani 1 1 d . . . . .
C43 C 0.1960(2) 0.6140(2) 0.38224(18) 0.0152(7) Uani 1 1 d . . . . .
H43 H 0.1924 0.6645 0.3876 0.018 Uiso 1 1 calc R . . . .
C44 C 0.2272(2) 0.5854(2) 0.31867(18) 0.0155(7) Uani 1 1 d . . . . .
C45 C 0.2394(2) 0.5116(2) 0.31499(18) 0.0173(7) Uani 1 1 d . . . . .
H45 H 0.2654 0.4918 0.2746 0.021 Uiso 1 1 calc R . . . .
C46 C 0.2146(2) 0.4662(2) 0.36886(18) 0.0165(7) Uani 1 1 d . . . . .
H46 H 0.2229 0.4159 0.3650 0.020 Uiso 1 1 calc R . . . .
C47 C 0.1774(2) 0.49480(19) 0.42886(17) 0.0134(7) Uani 1 1 d . . . . .
C48 C 0.1391(2) 0.4494(2) 0.48240(18) 0.0143(7) Uani 1 1 d . . . . .
C49 C 0.1341(2) 0.3752(2) 0.48455(19) 0.0169(7) Uani 1 1 d . . . . .
H49 H 0.1602 0.3468 0.4496 0.020 Uiso 1 1 calc R . . . .
C50 C 0.0906(2) 0.3431(2) 0.53810(19) 0.0204(8) Uani 1 1 d . . . . .
H50 H 0.0867 0.2923 0.5395 0.024 Uiso 1 1 calc R . . . .
C51 C 0.0525(2) 0.3835(2) 0.59000(19) 0.0184(8) Uani 1 1 d . . . . .
H51 H 0.0221 0.3607 0.6262 0.022 Uiso 1 1 calc R . . . .
C52 C 0.0593(2) 0.4572(2) 0.58809(18) 0.0144(7) Uani 1 1 d . . . . .
C53 C 0.0264(2) 0.5105(2) 0.63735(18) 0.0148(7) Uani 1 1 d . . . . .
C54 C -0.0203(2) 0.4922(2) 0.69578(18) 0.0173(7) Uani 1 1 d . . . . .
H54 H -0.0322 0.4433 0.7052 0.021 Uiso 1 1 calc R . . . .
C55 C -0.0494(2) 0.5453(2) 0.74027(19) 0.0190(8) Uani 1 1 d . . . . .
H55 H -0.0807 0.5320 0.7803 0.023 Uiso 1 1 calc R . . . .
C56 C -0.0340(2) 0.6172(2) 0.72799(18) 0.0165(7) Uani 1 1 d . . . . .
C57 C 0.0131(2) 0.6357(2) 0.66878(18) 0.0167(7) Uani 1 1 d . . . . .
H57 H 0.0243 0.6847 0.6594 0.020 Uiso 1 1 calc R . . . .
C58 C 0.0435(2) 0.5831(2) 0.62355(18) 0.0146(7) Uani 1 1 d . . . . .
C59 C 0.2434(2) 0.6352(2) 0.25531(18) 0.0161(7) Uani 1 1 d . . . . .
C60 C 0.3186(2) 0.6823(2) 0.2723(2) 0.0225(8) Uani 1 1 d . . . . .
H60A H 0.3278 0.7153 0.2326 0.034 Uiso 1 1 calc GR . . . .
H60B H 0.3669 0.6517 0.2792 0.034 Uiso 1 1 calc GR . . . .
H60C H 0.3091 0.7098 0.3157 0.034 Uiso 1 1 calc GR . . . .
C61 C 0.2592(3) 0.5927(2) 0.18693(19) 0.0236(9) Uani 1 1 d . . . . .
H61A H 0.2635 0.6260 0.1468 0.035 Uiso 1 1 calc GR . . . .
H61B H 0.2139 0.5594 0.1779 0.035 Uiso 1 1 calc GR . . . .
H61C H 0.3105 0.5658 0.1924 0.035 Uiso 1 1 calc GR . . . .
C62 C 0.1680(2) 0.6827(2) 0.24148(19) 0.0202(8) Uani 1 1 d . . . . .
H62A H 0.1575 0.7117 0.2838 0.030 Uiso 1 1 calc GR . . . .
H62B H 0.1203 0.6524 0.2309 0.030 Uiso 1 1 calc GR . . . .
H62C H 0.1781 0.7143 0.2009 0.030 Uiso 1 1 calc GR . . . .
C63 C -0.0641(2) 0.6750(2) 0.78046(19) 0.0199(8) Uani 1 1 d . . . . .
C64 C -0.0050(3) 0.6756(2) 0.8445(2) 0.0286(10) Uani 1 1 d . . . . .
H64A H 0.0495 0.6903 0.8291 0.043 Uiso 1 1 calc GR . . . .
H64B H -0.0019 0.6274 0.8652 0.043 Uiso 1 1 calc GR . . . .
H64C H -0.0246 0.7095 0.8802 0.043 Uiso 1 1 calc GR . . . .
C65 C -0.1513(3) 0.6567(3) 0.8054(2) 0.0333(11) Uani 1 1 d . . . . .
H65A H -0.1503 0.6109 0.8310 0.050 Uiso 1 1 calc GR . . . .
H65B H -0.1884 0.6531 0.7640 0.050 Uiso 1 1 calc GR . . . .
H65C H -0.1706 0.6946 0.8371 0.050 Uiso 1 1 calc GR . . . .
C66 C -0.0667(3) 0.7488(2) 0.7468(2) 0.0279(9) Uani 1 1 d . . . . .
H66A H -0.0906 0.7831 0.7801 0.042 Uiso 1 1 calc GR . . . .
H66B H -0.1001 0.7473 0.7030 0.042 Uiso 1 1 calc GR . . . .
H66C H -0.0109 0.7640 0.7355 0.042 Uiso 1 1 calc GR . . . .
N1 N 0.39564(18) 0.50562(16) 0.46972(14) 0.0127(6) Uani 1 1 d . . . . .
N2 N 0.10163(17) 0.48747(16) 0.53401(14) 0.0128(6) Uani 1 1 d . . . . .
F1 F 0.36679(15) 0.20796(14) 0.43816(14) 0.0348(6) Uani 1 1 d . . . . .
F2 F 0.22956(18) 0.22763(15) 0.50722(12) 0.0409(7) Uani 1 1 d . . . . .
F3 F 0.27249(18) 0.09599(14) 0.46655(14) 0.0406(7) Uani 1 1 d . . . . .
F4 F 0.2859(2) 0.14374(14) 0.33399(13) 0.0468(8) Uani 1 1 d . . . . .
F5 F 0.24223(15) 0.27341(12) 0.37567(12) 0.0267(5) Uani 1 1 d . . . . .
F6 F 0.14812(18) 0.1614(2) 0.40328(18) 0.0605(10) Uani 1 1 d . . . . .
Sb1 Sb 0.25696(2) 0.18438(2) 0.42113(2) 0.02082(6) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 C1 2.145(4) . ?
Au1 C2 2.357(4) . ?
Au1 C34 2.175(4) . ?
Au1 C35 2.255(4) . ?
Au2 C1 1.975(4) . ?
Au2 C9 2.062(3) . ?
Au2 C25 2.078(3) . ?
Au2 N1 1.986(3) . ?
Au3 C34 1.977(4) . ?
Au3 C42 2.086(3) . ?
Au3 C58 2.079(3) . ?
Au3 N2 1.990(3) . ?
C1 C2 1.233(5) . ?
C2 C3 1.440(5) . ?
C3 C4 1.386(5) . ?
C3 C8 1.393(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.377(6) . ?
C5 H5 0.9500 . ?
C5 C6 1.377(6) . ?
C6 H6 0.9500 . ?
C6 C7 1.368(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.372(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.369(5) . ?
C9 C14 1.424(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.413(5) . ?
C11 C12 1.389(5) . ?
C11 C26 1.532(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.389(5) . ?
C13 H13 0.9500 . ?
C13 C14 1.395(5) . ?
C14 C15 1.469(5) . ?
C15 C16 1.379(5) . ?
C15 N1 1.361(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.389(5) . ?
C17 H17 0.9500 . ?
C17 C18 1.394(5) . ?
C18 H18 0.9500 . ?
C18 C19 1.382(5) . ?
C19 C20 1.478(5) . ?
C19 N1 1.354(5) . ?
C20 C21 1.400(5) . ?
C20 C25 1.400(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.390(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.386(5) . ?
C23 C24 1.403(5) . ?
C23 C30 1.545(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.393(5) . ?
C26 C27 1.533(5) . ?
C26 C28 1.523(5) . ?
C26 C29 1.541(6) . ?
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 1.539(5) . ?
C30 C32 1.526(5) . ?
C30 C33 1.523(5) . ?
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 1.220(5) . ?
C35 C36 1.457(5) . ?
C36 C37 1.382(5) . ?
C36 C41 1.392(5) . ?
C37 H37 0.9500 . ?
C37 C38 1.374(6) . ?
C38 H38 0.9500 . ?
C38 C39 1.363(6) . ?
C39 H39 0.9500 . ?
C39 C40 1.389(7) . ?
C40 H40 0.9500 . ?
C40 C41 1.382(6) . ?
C41 H41 0.9500 . ?
C42 C43 1.390(5) . ?
C42 C47 1.410(5) . ?
C43 H43 0.9500 . ?
C43 C44 1.412(5) . ?
C44 C45 1.393(5) . ?
C44 C59 1.537(5) . ?
C45 H45 0.9500 . ?
C45 C46 1.385(5) . ?
C46 H46 0.9500 . ?
C46 C47 1.397(5) . ?
C47 C48 1.463(5) . ?
C48 C49 1.388(5) . ?
C48 N2 1.357(4) . ?
C49 H49 0.9500 . ?
C49 C50 1.378(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.389(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.380(5) . ?
C52 C53 1.468(5) . ?
C52 N2 1.362(4) . ?
C53 C54 1.390(5) . ?
C53 C58 1.407(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.385(5) . ?
C55 H55 0.9500 . ?
C55 C56 1.385(5) . ?
C56 C57 1.407(5) . ?
C56 C63 1.547(5) . ?
C57 H57 0.9500 . ?
C57 C58 1.395(5) . ?
C59 C60 1.539(5) . ?
C59 C61 1.535(5) . ?
C59 C62 1.535(5) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.530(5) . ?
C63 C65 1.546(5) . ?
C63 C66 1.515(6) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
F1 Sb1 1.869(3) . ?
F2 Sb1 1.870(2) . ?
F3 Sb1 1.871(2) . ?
F4 Sb1 1.873(2) . ?
F5 Sb1 1.881(2) . ?
F6 Sb1 1.853(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Au2 Au1 Au3 86.548(5) . . ?
C1 Au1 Au2 36.16(10) . . ?
C1 Au1 Au3 121.45(10) . . ?
C1 Au1 C2 31.33(13) . . ?
C1 Au1 C34 155.15(14) . . ?
C1 Au1 C35 172.31(14) . . ?
C2 Au1 Au2 67.23(9) . . ?
C2 Au1 Au3 152.31(9) . . ?
C34 Au1 Au2 119.35(10) . . ?
C34 Au1 Au3 33.83(10) . . ?
C34 Au1 C2 173.41(14) . . ?
C34 Au1 C35 31.92(14) . . ?
C35 Au1 Au2 149.56(10) . . ?
C35 Au1 Au3 65.75(10) . . ?
C35 Au1 C2 141.77(14) . . ?
C1 Au2 Au1 39.85(11) . . ?
C1 Au2 C9 94.64(15) . . ?
C1 Au2 C25 102.38(14) . . ?
C1 Au2 N1 176.47(13) . . ?
C9 Au2 Au1 111.39(10) . . ?
C9 Au2 C25 162.87(14) . . ?
C25 Au2 Au1 83.55(10) . . ?
N1 Au2 Au1 140.48(8) . . ?
N1 Au2 C9 82.06(13) . . ?
N1 Au2 C25 80.97(13) . . ?
C34 Au3 Au1 37.77(10) . . ?
C34 Au3 C42 100.07(14) . . ?
C34 Au3 C58 98.09(14) . . ?
C34 Au3 N2 178.39(13) . . ?
C42 Au3 Au1 82.76(10) . . ?
C58 Au3 Au1 113.48(10) . . ?
C58 Au3 C42 161.70(14) . . ?
N2 Au3 Au1 141.57(8) . . ?
N2 Au3 C42 80.99(13) . . ?
N2 Au3 C58 80.91(13) . . ?
Au2 C1 Au1 103.99(16) . . ?
C2 C1 Au1 83.9(3) . . ?
C2 C1 Au2 167.8(3) . . ?
C1 C2 Au1 64.8(2) . . ?
C1 C2 C3 170.5(4) . . ?
C3 C2 Au1 124.4(3) . . ?
C4 C3 C2 120.1(4) . . ?
C4 C3 C8 119.3(4) . . ?
C8 C3 C2 120.5(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.4(4) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0(4) . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 119.7 . . ?
C6 C7 C8 120.5(4) . . ?
C8 C7 H7 119.7 . . ?
C3 C8 H8 120.0 . . ?
C7 C8 C3 119.9(4) . . ?
C7 C8 H8 120.0 . . ?
C10 C9 Au2 130.2(3) . . ?
C10 C9 C14 119.6(3) . . ?
C14 C9 Au2 110.1(3) . . ?
C9 C10 H10 118.8 . . ?
C9 C10 C11 122.3(3) . . ?
C11 C10 H10 118.8 . . ?
C10 C11 C26 118.8(3) . . ?
C12 C11 C10 117.1(3) . . ?
C12 C11 C26 124.1(3) . . ?
C11 C12 H12 119.0 . . ?
C11 C12 C13 122.0(3) . . ?
C13 C12 H12 119.0 . . ?
C12 C13 H13 119.8 . . ?
C12 C13 C14 120.3(3) . . ?
C14 C13 H13 119.8 . . ?
C9 C14 C15 117.3(3) . . ?
C13 C14 C9 118.7(3) . . ?
C13 C14 C15 124.0(3) . . ?
C16 C15 C14 129.2(3) . . ?
N1 C15 C14 113.1(3) . . ?
N1 C15 C16 117.7(3) . . ?
C15 C16 H16 120.1 . . ?
C15 C16 C17 119.7(3) . . ?
C17 C16 H16 120.1 . . ?
C16 C17 H17 119.6 . . ?
C16 C17 C18 120.9(4) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 120.7 . . ?
C19 C18 C17 118.7(3) . . ?
C19 C18 H18 120.7 . . ?
C18 C19 C20 128.6(3) . . ?
N1 C19 C18 118.6(3) . . ?
N1 C19 C20 112.8(3) . . ?
C21 C20 C19 122.9(3) . . ?
C21 C20 C25 119.9(3) . . ?
C25 C20 C19 117.1(3) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 C20 119.4(3) . . ?
C22 C21 H21 120.3 . . ?
C21 C22 H22 119.0 . . ?
C23 C22 C21 121.9(3) . . ?
C23 C22 H22 119.0 . . ?
C22 C23 C24 118.0(3) . . ?
C22 C23 C30 121.3(3) . . ?
C24 C23 C30 120.5(3) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 C23 121.3(3) . . ?
C25 C24 H24 119.3 . . ?
C20 C25 Au2 110.9(2) . . ?
C24 C25 Au2 129.6(3) . . ?
C24 C25 C20 119.4(3) . . ?
C11 C26 C27 110.0(3) . . ?
C11 C26 C29 109.0(3) . . ?
C27 C26 C29 109.2(4) . . ?
C28 C26 C11 112.2(3) . . ?
C28 C26 C27 107.7(3) . . ?
C28 C26 C29 108.8(3) . . ?
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 . . ?
C31 C30 C23 107.1(3) . . ?
C32 C30 C23 111.4(3) . . ?
C32 C30 C31 109.4(3) . . ?
C33 C30 C23 111.6(3) . . ?
C33 C30 C31 109.1(3) . . ?
C33 C30 C32 108.3(3) . . ?
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 . . ?
Au3 C34 Au1 108.39(17) . . ?
C35 C34 Au1 77.7(3) . . ?
C35 C34 Au3 173.9(3) . . ?
C34 C35 Au1 70.4(2) . . ?
C34 C35 C36 169.9(4) . . ?
C36 C35 Au1 118.6(3) . . ?
C37 C36 C35 121.9(3) . . ?
C37 C36 C41 119.4(4) . . ?
C41 C36 C35 118.7(3) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.3(4) . . ?
C38 C37 H37 119.8 . . ?
C37 C38 H38 119.8 . . ?
C39 C38 C37 120.3(4) . . ?
C39 C38 H38 119.8 . . ?
C38 C39 H39 119.7 . . ?
C38 C39 C40 120.5(4) . . ?
C40 C39 H39 119.7 . . ?
C39 C40 H40 120.3 . . ?
C41 C40 C39 119.3(4) . . ?
C41 C40 H40 120.3 . . ?
C36 C41 H41 119.9 . . ?
C40 C41 C36 120.1(4) . . ?
C40 C41 H41 119.9 . . ?
C43 C42 Au3 130.8(3) . . ?
C43 C42 C47 118.7(3) . . ?
C47 C42 Au3 110.2(2) . . ?
C42 C43 H43 119.3 . . ?
C42 C43 C44 121.4(3) . . ?
C44 C43 H43 119.3 . . ?
C43 C44 C59 119.8(3) . . ?
C45 C44 C43 118.0(3) . . ?
C45 C44 C59 122.1(3) . . ?
C44 C45 H45 119.2 . . ?
C46 C45 C44 121.5(3) . . ?
C46 C45 H45 119.2 . . ?
C45 C46 H46 120.2 . . ?
C45 C46 C47 119.6(3) . . ?
C47 C46 H46 120.2 . . ?
C42 C47 C48 117.5(3) . . ?
C46 C47 C42 120.2(3) . . ?
C46 C47 C48 122.2(3) . . ?
C49 C48 C47 128.5(3) . . ?
N2 C48 C47 113.2(3) . . ?
N2 C48 C49 118.2(3) . . ?
C48 C49 H49 120.5 . . ?
C50 C49 C48 119.0(3) . . ?
C50 C49 H49 120.5 . . ?
C49 C50 H50 119.3 . . ?
C49 C50 C51 121.5(4) . . ?
C51 C50 H50 119.3 . . ?
C50 C51 H51 120.5 . . ?
C52 C51 C50 118.9(3) . . ?
C52 C51 H51 120.5 . . ?
C51 C52 C53 128.9(3) . . ?
N2 C52 C51 118.3(3) . . ?
N2 C52 C53 112.8(3) . . ?
C54 C53 C52 123.0(3) . . ?
C54 C53 C58 119.7(3) . . ?
C58 C53 C52 117.3(3) . . ?
C53 C54 H54 120.0 . . ?
C55 C54 C53 120.0(4) . . ?
C55 C54 H54 120.0 . . ?
C54 C55 H55 119.1 . . ?
C54 C55 C56 121.7(3) . . ?
C56 C55 H55 119.1 . . ?
C55 C56 C57 118.2(3) . . ?
C55 C56 C63 120.5(3) . . ?
C57 C56 C63 121.2(3) . . ?
C56 C57 H57 119.4 . . ?
C58 C57 C56 121.1(4) . . ?
C58 C57 H57 119.4 . . ?
C53 C58 Au3 110.9(2) . . ?
C57 C58 Au3 129.8(3) . . ?
C57 C58 C53 119.2(3) . . ?
C44 C59 C60 109.4(3) . . ?
C61 C59 C44 111.8(3) . . ?
C61 C59 C60 108.7(3) . . ?
C62 C59 C44 109.3(3) . . ?
C62 C59 C60 109.9(3) . . ?
C62 C59 C61 107.6(3) . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C64 C63 C56 107.6(3) . . ?
C64 C63 C65 109.6(3) . . ?
C65 C63 C56 110.2(3) . . ?
C66 C63 C56 111.9(3) . . ?
C66 C63 C64 109.5(3) . . ?
C66 C63 C65 108.0(3) . . ?
C63 C64 H64A 109.5 . . ?
C63 C64 H64B 109.5 . . ?
C63 C64 H64C 109.5 . . ?
H64A C64 H64B 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C63 C65 H65A 109.5 . . ?
C63 C65 H65B 109.5 . . ?
C63 C65 H65C 109.5 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C63 C66 H66A 109.5 . . ?
C63 C66 H66B 109.5 . . ?
C63 C66 H66C 109.5 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C15 N1 Au2 117.4(2) . . ?
C19 N1 Au2 118.2(2) . . ?
C19 N1 C15 124.4(3) . . ?
C48 N2 Au3 117.9(2) . . ?
C48 N2 C52 124.0(3) . . ?
C52 N2 Au3 118.1(2) . . ?
F1 Sb1 F2 89.69(12) . . ?
F1 Sb1 F3 90.43(12) . . ?
F1 Sb1 F4 89.31(13) . . ?
F1 Sb1 F5 89.10(11) . . ?
F2 Sb1 F3 91.03(12) . . ?
F2 Sb1 F4 178.21(13) . . ?
F2 Sb1 F5 88.95(11) . . ?
F3 Sb1 F4 90.47(12) . . ?
F3 Sb1 F5 179.53(13) . . ?
F4 Sb1 F5 89.55(11) . . ?
F6 Sb1 F1 179.40(13) . . ?
F6 Sb1 F2 90.72(15) . . ?
F6 Sb1 F3 90.01(14) . . ?
F6 Sb1 F4 90.27(15) . . ?
F6 Sb1 F5 90.46(13) . . ?

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
_geom_torsion_publ_flag
Au1 C2 C3 C4 131.9(3) . . . . ?
Au1 C2 C3 C8 -50.1(5) . . . . ?
Au1 C34 C35 C36 -154(2) . . . . ?
Au1 C35 C36 C37 42.7(5) . . . . ?
Au1 C35 C36 C41 -135.2(3) . . . . ?
Au2 C1 C2 Au1 131.0(16) . . . . ?
Au2 C9 C10 C11 176.7(3) . . . . ?
Au2 C9 C14 C13 -176.8(3) . . . . ?
Au2 C9 C14 C15 1.8(4) . . . . ?
Au3 C42 C43 C44 -172.5(3) . . . . ?
Au3 C42 C47 C46 179.4(3) . . . . ?
Au3 C42 C47 C48 3.6(4) . . . . ?
C2 C3 C4 C5 178.8(4) . . . . ?
C2 C3 C8 C7 179.7(4) . . . . ?
C3 C4 C5 C6 0.8(6) . . . . ?
C4 C3 C8 C7 -2.3(6) . . . . ?
C4 C5 C6 C7 -0.7(7) . . . . ?
C5 C6 C7 C8 -0.9(7) . . . . ?
C6 C7 C8 C3 2.4(7) . . . . ?
C8 C3 C4 C5 0.7(6) . . . . ?
C9 C10 C11 C12 -0.9(5) . . . . ?
C9 C10 C11 C26 179.7(3) . . . . ?
C9 C14 C15 C16 179.9(4) . . . . ?
C9 C14 C15 N1 -1.4(5) . . . . ?
C10 C9 C14 C13 0.3(5) . . . . ?
C10 C9 C14 C15 178.8(3) . . . . ?
C10 C11 C12 C13 0.9(5) . . . . ?
C10 C11 C26 C27 56.3(4) . . . . ?
C10 C11 C26 C28 176.1(3) . . . . ?
C10 C11 C26 C29 -63.4(4) . . . . ?
C11 C12 C13 C14 -0.3(6) . . . . ?
C12 C11 C26 C27 -123.1(4) . . . . ?
C12 C11 C26 C28 -3.3(5) . . . . ?
C12 C11 C26 C29 117.2(4) . . . . ?
C12 C13 C14 C9 -0.3(5) . . . . ?
C12 C13 C14 C15 -178.7(3) . . . . ?
C13 C14 C15 C16 -1.6(6) . . . . ?
C13 C14 C15 N1 177.1(3) . . . . ?
C14 C9 C10 C11 0.3(5) . . . . ?
C14 C15 C16 C17 179.2(3) . . . . ?
C14 C15 N1 Au2 0.2(4) . . . . ?
C14 C15 N1 C19 -179.5(3) . . . . ?
C15 C16 C17 C18 0.2(6) . . . . ?
C16 C15 N1 Au2 179.1(3) . . . . ?
C16 C15 N1 C19 -0.7(5) . . . . ?
C16 C17 C18 C19 -0.9(5) . . . . ?
C17 C18 C19 C20 -177.1(3) . . . . ?
C17 C18 C19 N1 0.8(5) . . . . ?
C18 C19 C20 C21 1.1(6) . . . . ?
C18 C19 C20 C25 176.6(4) . . . . ?
C18 C19 N1 Au2 -179.8(3) . . . . ?
C18 C19 N1 C15 0.0(5) . . . . ?
C19 C20 C21 C22 173.0(3) . . . . ?
C19 C20 C25 Au2 3.5(4) . . . . ?
C19 C20 C25 C24 -173.2(3) . . . . ?
C20 C19 N1 Au2 -1.6(4) . . . . ?
C20 C19 N1 C15 178.2(3) . . . . ?
C20 C21 C22 C23 -0.4(5) . . . . ?
C21 C20 C25 Au2 179.1(3) . . . . ?
C21 C20 C25 C24 2.4(5) . . . . ?
C21 C22 C23 C24 2.9(5) . . . . ?
C21 C22 C23 C30 -172.6(3) . . . . ?
C22 C23 C24 C25 -2.7(5) . . . . ?
C22 C23 C30 C31 81.8(4) . . . . ?
C22 C23 C30 C32 -37.7(5) . . . . ?
C22 C23 C30 C33 -158.8(4) . . . . ?
C23 C24 C25 Au2 -175.8(3) . . . . ?
C23 C24 C25 C20 0.1(5) . . . . ?
C24 C23 C30 C31 -93.5(4) . . . . ?
C24 C23 C30 C32 147.0(3) . . . . ?
C24 C23 C30 C33 25.8(5) . . . . ?
C25 C20 C21 C22 -2.3(5) . . . . ?
C26 C11 C12 C13 -179.7(3) . . . . ?
C30 C23 C24 C25 172.7(3) . . . . ?
C34 C35 C36 C37 -165(2) . . . . ?
C34 C35 C36 C41 17(2) . . . . ?
C35 C36 C37 C38 -176.2(4) . . . . ?
C35 C36 C41 C40 177.5(4) . . . . ?
C36 C37 C38 C39 -1.3(7) . . . . ?
C37 C36 C41 C40 -0.5(6) . . . . ?
C37 C38 C39 C40 -0.4(7) . . . . ?
C38 C39 C40 C41 1.6(7) . . . . ?
C39 C40 C41 C36 -1.2(6) . . . . ?
C41 C36 C37 C38 1.8(6) . . . . ?
C42 C43 C44 C45 -6.3(5) . . . . ?
C42 C43 C44 C59 171.4(3) . . . . ?
C42 C47 C48 C49 176.9(4) . . . . ?
C42 C47 C48 N2 -0.2(5) . . . . ?
C43 C42 C47 C46 4.6(5) . . . . ?
C43 C42 C47 C48 -171.1(3) . . . . ?
C43 C44 C45 C46 6.2(5) . . . . ?
C43 C44 C59 C60 71.7(4) . . . . ?
C43 C44 C59 C61 -167.8(3) . . . . ?
C43 C44 C59 C62 -48.7(4) . . . . ?
C44 C45 C46 C47 -0.9(5) . . . . ?
C45 C44 C59 C60 -110.7(4) . . . . ?
C45 C44 C59 C61 9.8(5) . . . . ?
C45 C44 C59 C62 128.9(4) . . . . ?
C45 C46 C47 C42 -4.7(5) . . . . ?
C45 C46 C47 C48 170.8(3) . . . . ?
C46 C47 C48 C49 1.2(6) . . . . ?
C46 C47 C48 N2 -175.8(3) . . . . ?
C47 C42 C43 C44 0.9(5) . . . . ?
C47 C48 C49 C50 -176.1(4) . . . . ?
C47 C48 N2 Au3 -3.7(4) . . . . ?
C47 C48 N2 C52 177.5(3) . . . . ?
C48 C49 C50 C51 -0.4(6) . . . . ?
C49 C48 N2 Au3 178.9(3) . . . . ?
C49 C48 N2 C52 0.2(5) . . . . ?
C49 C50 C51 C52 -0.8(6) . . . . ?
C50 C51 C52 C53 -178.5(4) . . . . ?
C50 C51 C52 N2 1.7(5) . . . . ?
C51 C52 C53 C54 -1.0(6) . . . . ?
C51 C52 C53 C58 179.1(4) . . . . ?
C51 C52 N2 Au3 179.8(3) . . . . ?
C51 C52 N2 C48 -1.4(5) . . . . ?
C52 C53 C54 C55 179.9(3) . . . . ?
C52 C53 C58 Au3 1.7(4) . . . . ?
C52 C53 C58 C57 179.7(3) . . . . ?
C53 C52 N2 Au3 0.1(4) . . . . ?
C53 C52 N2 C48 178.8(3) . . . . ?
C53 C54 C55 C56 0.6(6) . . . . ?
C54 C53 C58 Au3 -178.3(3) . . . . ?
C54 C53 C58 C57 -0.3(5) . . . . ?
C54 C55 C56 C57 -0.5(6) . . . . ?
C54 C55 C56 C63 -177.3(3) . . . . ?
C55 C56 C57 C58 0.0(5) . . . . ?
C55 C56 C63 C64 78.5(4) . . . . ?
C55 C56 C63 C65 -40.9(5) . . . . ?
C55 C56 C63 C66 -161.1(4) . . . . ?
C56 C57 C58 Au3 177.9(3) . . . . ?
C56 C57 C58 C53 0.4(5) . . . . ?
C57 C56 C63 C64 -98.3(4) . . . . ?
C57 C56 C63 C65 142.3(4) . . . . ?
C57 C56 C63 C66 22.1(5) . . . . ?
C58 C53 C54 C55 -0.2(5) . . . . ?
C59 C44 C45 C46 -171.4(3) . . . . ?
C63 C56 C57 C58 176.8(3) . . . . ?
N1 C15 C16 C17 0.6(5) . . . . ?
N1 C19 C20 C21 -176.9(3) . . . . ?
N1 C19 C20 C25 -1.4(4) . . . . ?
N2 C48 C49 C50 0.8(5) . . . . ?
N2 C52 C53 C54 178.7(3) . . . . ?
N2 C52 C53 C58 -1.2(5) . . . . ?

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 0.0209 -0.0000 -1.0000 1.0000 0.0508 -0.0167 0.0030
0 1 -1 0.0279 0.0000 1.0000 -1.0000 -0.0508 0.0167 -0.0030
-1 0 0 0.0673 -1.0000 -0.0000 -0.0000 -0.0099 -0.0217 0.0363
0 1 1 0.0287 0.0000 1.0000 1.0000 0.0123 0.0436 0.0286
0 -1 -1 0.0197 -0.0000 -1.0000 -1.0000 -0.0123 -0.0436 -0.0286
1 0 0 0.0764 1.0000 0.0000 0.0000 0.0099 0.0217 -0.0363

_olex2_computing_structure_refinement_long 'ShelXL (Sheldrick, 2008)'
_olex2_computing_structure_solution_long 'ShelXS (Sheldrick, 2008)'
#end
