# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_275ale
_database_code_depnum_ccdc_archive 'CCDC 1981844'
loop_
_audit_author_name
_audit_author_address
'Ciprian I. Rat'
;Babes Bolyai University
Romania
;
_audit_update_record             
;
2020-02-04 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C36 H15 Au F13 P'
_chemical_formula_sum            'C36 H15 Au F13 P'
_chemical_formula_weight         922.42

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.8553(13)
_cell_length_b                   14.7279(14)
_cell_length_c                   17.3368(16)
_cell_angle_alpha                77.107(2)
_cell_angle_beta                 69.802(2)
_cell_angle_gamma                85.275(2)
_cell_volume                     3236.4(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    7579
_cell_measurement_theta_min      2.33
_cell_measurement_theta_max      24.21

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_F_000             1768
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.390
_exptl_crystal_size_min          0.340
_exptl_absorpt_coefficient_mu    4.697
_shelx_estimated_absorpt_T_min   0.255
_shelx_estimated_absorpt_T_max   0.298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.322
_exptl_absorpt_correction_T_max  0.369
_exptl_absorpt_process_details   'Bruker, 2001.'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31938
_diffrn_reflns_av_unetI/netI     0.0564
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.566
_diffrn_reflns_theta_max         25.149
_diffrn_reflns_theta_full        25.149
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             11567
_reflns_number_gt                9488
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond (Brandenburg, 2009)'
_computing_publication_material  
;
WinGX publication routines (Farrugia, 1999)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0561P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11567
_refine_ls_number_parameters     919
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0406
_refine_ls_wR_factor_ref         0.1033
_refine_ls_wR_factor_gt          0.0969
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.002
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.09926(2) 0.13832(2) 0.11333(2) 0.02729(8) Uani 1 1 d . . . . .
P1 P 0.12402(12) 0.03813(11) 0.22630(10) 0.0309(4) Uani 1 1 d . . . . .
F1 F 0.0331(3) 0.0622(3) -0.0969(3) 0.0539(10) Uani 1 1 d . . . . .
F2 F 0.1301(3) -0.1027(3) -0.1163(3) 0.0689(14) Uani 1 1 d . . . . .
F3 F 0.3220(3) -0.1312(2) -0.1078(3) 0.0568(11) Uani 1 1 d . . . . .
F4 F 0.4207(3) 0.0074(3) -0.0862(3) 0.0534(10) Uani 1 1 d . . . . .
F5 F 0.3273(3) 0.1737(2) -0.0711(2) 0.0427(9) Uani 1 1 d . . . . .
F6 F -0.1976(3) 0.2958(2) 0.0944(2) 0.0417(9) Uani 1 1 d . . . . .
F7 F -0.3053(3) 0.3280(3) 0.2483(2) 0.0583(11) Uani 1 1 d . . . . .
F8 F -0.2057(3) 0.3807(3) 0.3417(2) 0.0605(11) Uani 1 1 d . . . . .
F9 F 0.0011(3) 0.4010(3) 0.2803(2) 0.0534(10) Uani 1 1 d . . . . .
F10 F 0.1092(3) 0.3695(2) 0.1265(2) 0.0391(8) Uani 1 1 d . . . . .
F11 F 0.1483(3) 0.2562(2) -0.2160(2) 0.0433(9) Uani 1 1 d . . . . .
F12 F 0.0402(3) 0.4152(2) -0.1959(2) 0.0431(9) Uani 1 1 d . . . . .
F13 F -0.0535(3) 0.4488(2) -0.0403(2) 0.0391(8) Uani 1 1 d . . . . .
C1 C 0.0233(4) -0.0484(4) 0.2800(4) 0.0324(14) Uani 1 1 d . . . . .
C2 C -0.0776(5) -0.0203(5) 0.2918(4) 0.0426(16) Uani 1 1 d . . . . .
H2 H -0.092298 0.041574 0.272471 0.051 Uiso 1 1 calc R U . . .
C3 C -0.1572(5) -0.0843(5) 0.3326(5) 0.0517(19) Uani 1 1 d . . . . .
H3 H -0.225027 -0.064820 0.341267 0.062 Uiso 1 1 calc R U . . .
C4 C -0.1358(5) -0.1753(5) 0.3597(4) 0.0404(16) Uani 1 1 d . . . . .
H4 H -0.189022 -0.218019 0.386059 0.048 Uiso 1 1 calc R U . . .
C5 C -0.0360(5) -0.2043(5) 0.3484(4) 0.0456(17) Uani 1 1 d . . . . .
H5 H -0.021789 -0.266240 0.367933 0.055 Uiso 1 1 calc R U . . .
C6 C 0.0435(5) -0.1407(4) 0.3077(4) 0.0382(15) Uani 1 1 d . . . . .
H6 H 0.111182 -0.160668 0.298944 0.046 Uiso 1 1 calc R U . . .
C7 C 0.1283(5) 0.0977(4) 0.3054(4) 0.0355(14) Uani 1 1 d . . . . .
C8 C 0.1534(5) 0.1922(4) 0.2817(4) 0.0373(15) Uani 1 1 d . . . . .
H8 H 0.168689 0.222757 0.225847 0.045 Uiso 1 1 calc R U . . .
C9 C 0.1557(5) 0.2405(5) 0.3410(4) 0.0481(18) Uani 1 1 d . . . . .
H9 H 0.171677 0.303582 0.324440 0.058 Uiso 1 1 calc R U . . .
C10 C 0.1348(6) 0.1971(6) 0.4236(4) 0.056(2) Uani 1 1 d . . . . .
H10 H 0.136087 0.230514 0.462889 0.067 Uiso 1 1 calc R U . . .
C11 C 0.1117(6) 0.1029(6) 0.4481(4) 0.059(2) Uani 1 1 d . . . . .
H11 H 0.099403 0.073023 0.503854 0.070 Uiso 1 1 calc R U . . .
C12 C 0.1067(5) 0.0523(5) 0.3904(4) 0.0483(18) Uani 1 1 d . . . . .
H12 H 0.089350 -0.010417 0.407732 0.058 Uiso 1 1 calc R U . . .
C13 C 0.2404(5) -0.0325(4) 0.1998(4) 0.0352(15) Uani 1 1 d . . . . .
C14 C 0.2664(5) -0.0648(4) 0.1267(4) 0.0446(17) Uani 1 1 d . . . . .
H14 H 0.227911 -0.046477 0.091192 0.053 Uiso 1 1 calc R U . . .
C15 C 0.3491(6) -0.1239(5) 0.1056(5) 0.056(2) Uani 1 1 d . . . . .
H15 H 0.366141 -0.145367 0.055936 0.067 Uiso 1 1 calc R U . . .
C16 C 0.4069(5) -0.1517(5) 0.1580(6) 0.061(2) Uani 1 1 d . . . . .
H16 H 0.461214 -0.193533 0.144798 0.073 Uiso 1 1 calc R U . . .
C17 C 0.3832(5) -0.1167(5) 0.2300(5) 0.054(2) Uani 1 1 d . . . . .
H17 H 0.423224 -0.133589 0.264426 0.065 Uiso 1 1 calc R U . . .
C18 C 0.3005(5) -0.0568(5) 0.2513(4) 0.0451(17) Uani 1 1 d . . . . .
H18 H 0.285079 -0.032997 0.299584 0.054 Uiso 1 1 calc R U . . .
C19 C 0.0776(4) 0.2303(4) 0.0118(4) 0.0274(13) Uani 1 1 d . . . . .
C20 C 0.1215(4) 0.2113(4) -0.0696(4) 0.0289(13) Uani 1 1 d . . . . .
C21 C 0.1071(4) 0.2737(4) -0.1379(4) 0.0297(13) Uani 1 1 d . . . . .
C22 C 0.0514(4) 0.3542(4) -0.1282(4) 0.0299(13) Uani 1 1 d . . . . .
C23 C 0.0050(4) 0.3709(4) -0.0487(4) 0.0325(14) Uani 1 1 d . . . . .
C24 C 0.0162(4) 0.3111(4) 0.0212(3) 0.0269(13) Uani 1 1 d . . . . .
C25 C 0.1768(4) 0.1230(4) -0.0833(3) 0.0294(13) Uani 1 1 d . . . . .
C26 C 0.1300(5) 0.0501(4) -0.0954(4) 0.0369(15) Uani 1 1 d . . . . .
C27 C 0.1767(5) -0.0343(4) -0.1039(4) 0.0407(16) Uani 1 1 d . . . . .
C28 C 0.2749(5) -0.0488(4) -0.1009(4) 0.0406(16) Uani 1 1 d . . . . .
C29 C 0.3251(4) 0.0214(4) -0.0896(4) 0.0353(14) Uani 1 1 d . . . . .
C30 C 0.2768(4) 0.1059(4) -0.0816(4) 0.0315(14) Uani 1 1 d . . . . .
C31 C -0.0406(4) 0.3310(4) 0.1059(3) 0.0275(13) Uani 1 1 d . . . . .
C32 C -0.1473(5) 0.3217(4) 0.1400(4) 0.0345(14) Uani 1 1 d . . . . .
C33 C -0.2030(5) 0.3392(4) 0.2178(4) 0.0395(16) Uani 1 1 d . . . . .
C34 C -0.1524(5) 0.3640(4) 0.2649(4) 0.0423(16) Uani 1 1 d . . . . .
C35 C -0.0471(5) 0.3743(4) 0.2345(4) 0.0367(15) Uani 1 1 d . . . . .
C36 C 0.0071(5) 0.3568(4) 0.1554(4) 0.0360(15) Uani 1 1 d . . . . .
Au2 Au 0.39396(2) 0.37230(2) 0.36604(2) 0.02931(8) Uani 1 1 d . . . . .
P2 P 0.41295(12) 0.42170(11) 0.22685(9) 0.0294(3) Uani 1 1 d . . . . .
F14 F 0.6445(3) 0.2405(3) 0.4481(4) 0.0888(17) Uani 1 1 d . . . . .
F15 F 0.7399(4) 0.1372(3) 0.3315(4) 0.120(3) Uani 1 1 d . . . . .
F16 F 0.6292(4) 0.0271(3) 0.2876(3) 0.0865(17) Uani 1 1 d . . . . .
F17 F 0.4221(4) 0.0201(3) 0.3609(3) 0.0812(15) Uani 1 1 d . . . . .
F18 F 0.3275(3) 0.1228(3) 0.4760(3) 0.0715(14) Uani 1 1 d . . . . .
F19 F 0.4410(3) 0.5518(3) 0.4408(3) 0.0577(11) Uani 1 1 d . . . . .
F20 F 0.3509(4) 0.7084(3) 0.3849(3) 0.0918(17) Uani 1 1 d . . . . .
F21 F 0.1421(4) 0.7223(3) 0.4340(3) 0.0860(16) Uani 1 1 d . . . . .
F22 F 0.0254(3) 0.5761(3) 0.5394(3) 0.0683(12) Uani 1 1 d . . . . .
F23 F 0.1152(3) 0.4190(2) 0.5958(2) 0.0508(10) Uani 1 1 d . . . . .
F24 F 0.4704(3) 0.1502(2) 0.6322(2) 0.0478(10) Uani 1 1 d . . . . .
F25 F 0.3747(3) 0.2626(3) 0.7384(2) 0.0508(10) Uani 1 1 d . . . . .
F26 F 0.2813(3) 0.4214(2) 0.6849(2) 0.0472(10) Uani 1 1 d . . . . .
C37 C 0.5381(4) 0.4714(4) 0.1645(3) 0.0302(13) Uani 1 1 d . . . . .
C38 C 0.5730(5) 0.5417(4) 0.1907(4) 0.0363(15) Uani 1 1 d . . . . .
H38 H 0.531866 0.561540 0.239071 0.044 Uiso 1 1 calc R U . . .
C39 C 0.6684(5) 0.5821(5) 0.1453(4) 0.0480(18) Uani 1 1 d . . . . .
H39 H 0.690548 0.629325 0.162803 0.058 Uiso 1 1 calc R U . . .
C40 C 0.7309(5) 0.5521(5) 0.0737(4) 0.0401(16) Uani 1 1 d . . . . .
H40 H 0.794400 0.579752 0.042672 0.048 Uiso 1 1 calc R U . . .
C41 C 0.6983(5) 0.4814(4) 0.0492(4) 0.0363(15) Uani 1 1 d . . . . .
H41 H 0.741001 0.459754 0.002271 0.044 Uiso 1 1 calc R U . . .
C42 C 0.6021(4) 0.4416(4) 0.0935(4) 0.0328(14) Uani 1 1 d . . . . .
H42 H 0.580570 0.394506 0.075428 0.039 Uiso 1 1 calc R U . . .
C43 C 0.3222(5) 0.5141(4) 0.2081(4) 0.0326(14) Uani 1 1 d . . . . .
C44 C 0.2284(5) 0.5187(5) 0.2720(5) 0.0436(17) Uani 1 1 d . . . . .
H44 H 0.213252 0.476068 0.322957 0.052 Uiso 1 1 calc R U . . .
C45 C 0.1576(6) 0.5880(5) 0.2583(5) 0.057(2) Uani 1 1 d . . . . .
H45 H 0.094214 0.591108 0.299939 0.069 Uiso 1 1 calc R U . . .
C46 C 0.1816(6) 0.6509(5) 0.1841(6) 0.059(2) Uani 1 1 d . . . . .
H46 H 0.134153 0.697158 0.175736 0.070 Uiso 1 1 calc R U . . .
C47 C 0.2738(6) 0.6479(5) 0.1214(5) 0.0524(19) Uani 1 1 d . . . . .
H47 H 0.289030 0.691627 0.071087 0.063 Uiso 1 1 calc R U . . .
C48 C 0.3444(5) 0.5787(4) 0.1337(4) 0.0399(16) Uani 1 1 d . . . . .
H48 H 0.407200 0.575975 0.091324 0.048 Uiso 1 1 calc R U . . .
C49 C 0.4008(4) 0.3296(4) 0.1760(4) 0.0312(14) Uani 1 1 d . . . . .
C50 C 0.4342(4) 0.2405(4) 0.2043(4) 0.0346(14) Uani 1 1 d . . . . .
H50 H 0.458282 0.229164 0.249444 0.042 Uiso 1 1 calc R U . . .
C51 C 0.4316(5) 0.1694(4) 0.1651(4) 0.0402(16) Uani 1 1 d . . . . .
H51 H 0.454895 0.110173 0.183392 0.048 Uiso 1 1 calc R U . . .
C52 C 0.3947(5) 0.1858(5) 0.0991(4) 0.0455(17) Uani 1 1 d . . . . .
H52 H 0.394588 0.137992 0.072010 0.055 Uiso 1 1 calc R U . . .
C53 C 0.3579(6) 0.2724(4) 0.0730(4) 0.0457(17) Uani 1 1 d . . . . .
H53 H 0.331036 0.282560 0.029457 0.055 Uiso 1 1 calc R U . . .
C54 C 0.3607(5) 0.3445(4) 0.1112(4) 0.0377(15) Uani 1 1 d . . . . .
H54 H 0.335773 0.403113 0.093428 0.045 Uiso 1 1 calc R U . . .
C55 C 0.3817(4) 0.3340(4) 0.4907(3) 0.0297(13) Uani 1 1 d . . . . .
C56 C 0.4282(5) 0.2508(4) 0.5207(4) 0.0331(14) Uani 1 1 d . . . . .
C57 C 0.4252(5) 0.2291(4) 0.6034(4) 0.0339(14) Uani 1 1 d . . . . .
C58 C 0.3761(5) 0.2855(4) 0.6581(4) 0.0342(14) Uani 1 1 d . . . . .
C59 C 0.3287(5) 0.3656(4) 0.6305(4) 0.0327(14) Uani 1 1 d . . . . .
C60 C 0.3310(5) 0.3906(4) 0.5478(4) 0.0293(13) Uani 1 1 d . . . . .
C61 C 0.4829(5) 0.1868(4) 0.4625(4) 0.0357(15) Uani 1 1 d . . . . .
C62 C 0.5891(5) 0.1861(5) 0.4267(5) 0.0525(19) Uani 1 1 d . . . . .
C63 C 0.6369(6) 0.1322(5) 0.3681(6) 0.069(3) Uani 1 1 d . . . . .
C64 C 0.5817(7) 0.0767(5) 0.3458(4) 0.059(2) Uani 1 1 d . . . . .
C65 C 0.4774(6) 0.0739(5) 0.3831(5) 0.0527(19) Uani 1 1 d . . . . .
C66 C 0.4296(5) 0.1280(5) 0.4413(4) 0.0430(16) Uani 1 1 d . . . . .
C67 C 0.2808(5) 0.4793(4) 0.5195(4) 0.0296(13) Uani 1 1 d . . . . .
C68 C 0.3387(5) 0.5551(4) 0.4655(4) 0.0407(16) Uani 1 1 d . . . . .
C69 C 0.2935(7) 0.6364(5) 0.4367(5) 0.057(2) Uani 1 1 d . . . . .
C70 C 0.1882(7) 0.6425(5) 0.4621(5) 0.060(2) Uani 1 1 d . . . . .
C71 C 0.1283(6) 0.5697(5) 0.5152(5) 0.0474(18) Uani 1 1 d . . . . .
C72 C 0.1765(5) 0.4893(4) 0.5425(4) 0.0383(15) 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 C19 2.063(5) . ?
Au1 P1 2.2852(15) . ?
P1 C7 1.804(6) . ?
P1 C1 1.818(6) . ?
P1 C13 1.822(6) . ?
F1 C26 1.348(7) . ?
F2 C27 1.333(6) . ?
F3 C28 1.339(7) . ?
F4 C29 1.344(7) . ?
F5 C30 1.343(6) . ?
F6 C32 1.348(7) . ?
F7 C33 1.341(7) . ?
F8 C34 1.348(7) . ?
F9 C35 1.334(7) . ?
F10 C36 1.342(7) . ?
F11 C21 1.350(6) . ?
F12 C22 1.358(6) . ?
F13 C23 1.355(6) . ?
C1 C6 1.376(8) . ?
C1 C2 1.383(9) . ?
C2 C3 1.393(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.363(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.372(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(8) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.398(8) . ?
C7 C12 1.414(9) . ?
C8 C9 1.384(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.372(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.386(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.397(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.374(9) . ?
C13 C18 1.392(9) . ?
C14 C15 1.376(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.385(11) . ?
C15 H15 0.9300 . ?
C16 C17 1.381(11) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.410(8) . ?
C19 C20 1.413(8) . ?
C20 C21 1.391(8) . ?
C20 C25 1.477(8) . ?
C21 C22 1.369(8) . ?
C22 C23 1.374(8) . ?
C23 C24 1.378(8) . ?
C24 C31 1.490(8) . ?
C25 C26 1.388(8) . ?
C25 C30 1.398(8) . ?
C26 C27 1.367(8) . ?
C27 C28 1.378(9) . ?
C28 C29 1.376(8) . ?
C29 C30 1.374(8) . ?
C31 C36 1.377(8) . ?
C31 C32 1.396(8) . ?
C32 C33 1.373(8) . ?
C33 C34 1.364(9) . ?
C34 C35 1.377(9) . ?
C35 C36 1.387(8) . ?
Au2 C55 2.058(6) . ?
Au2 P2 2.2871(15) . ?
P2 C37 1.809(6) . ?
P2 C49 1.822(6) . ?
P2 C43 1.828(6) . ?
F14 C62 1.342(8) . ?
F15 C63 1.348(9) . ?
F16 C64 1.333(8) . ?
F17 C65 1.342(8) . ?
F18 C66 1.335(7) . ?
F19 C68 1.332(7) . ?
F20 C69 1.337(8) . ?
F21 C70 1.365(8) . ?
F22 C71 1.342(8) . ?
F23 C72 1.350(7) . ?
F24 C57 1.353(7) . ?
F25 C58 1.352(7) . ?
F26 C59 1.350(6) . ?
C37 C42 1.384(7) . ?
C37 C38 1.399(8) . ?
C38 C39 1.387(8) . ?
C38 H38 0.9300 . ?
C39 C40 1.386(9) . ?
C39 H39 0.9300 . ?
C40 C41 1.371(8) . ?
C40 H40 0.9300 . ?
C41 C42 1.389(8) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C43 C48 1.374(8) . ?
C43 C44 1.395(8) . ?
C44 C45 1.395(10) . ?
C44 H44 0.9300 . ?
C45 C46 1.361(11) . ?
C45 H45 0.9300 . ?
C46 C47 1.367(10) . ?
C46 H46 0.9300 . ?
C47 C48 1.386(9) . ?
C47 H47 0.9300 . ?
C48 H48 0.9300 . ?
C49 C54 1.385(8) . ?
C49 C50 1.395(8) . ?
C50 C51 1.379(8) . ?
C50 H50 0.9300 . ?
C51 C52 1.375(9) . ?
C51 H51 0.9300 . ?
C52 C53 1.374(9) . ?
C52 H52 0.9300 . ?
C53 C54 1.381(8) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C60 1.399(8) . ?
C55 C56 1.416(8) . ?
C56 C57 1.384(8) . ?
C56 C61 1.503(8) . ?
C57 C58 1.365(8) . ?
C58 C59 1.375(8) . ?
C59 C60 1.389(8) . ?
C60 C67 1.494(8) . ?
C61 C66 1.365(9) . ?
C61 C62 1.386(9) . ?
C62 C63 1.382(10) . ?
C63 C64 1.359(11) . ?
C64 C65 1.364(11) . ?
C65 C66 1.379(9) . ?
C67 C72 1.365(9) . ?
C67 C68 1.388(8) . ?
C68 C69 1.379(9) . ?
C69 C70 1.372(11) . ?
C70 C71 1.364(10) . ?
C71 C72 1.382(9) . ?

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
C19 Au1 P1 179.18(15) . . ?
C7 P1 C1 105.6(3) . . ?
C7 P1 C13 107.5(3) . . ?
C1 P1 C13 103.1(3) . . ?
C7 P1 Au1 112.3(2) . . ?
C1 P1 Au1 113.6(2) . . ?
C13 P1 Au1 114.0(2) . . ?
C6 C1 C2 118.9(6) . . ?
C6 C1 P1 122.8(5) . . ?
C2 C1 P1 118.3(5) . . ?
C1 C2 C3 120.3(6) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
C4 C3 C2 120.0(6) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.4(6) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 119.7(6) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 120.7(6) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C12 118.9(6) . . ?
C8 C7 P1 118.7(5) . . ?
C12 C7 P1 122.4(5) . . ?
C9 C8 C7 120.3(6) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 121.2(7) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C11 119.4(7) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 C12 121.0(7) . . ?
C10 C11 H11 119.5 . . ?
C12 C11 H11 119.5 . . ?
C11 C12 C7 119.2(6) . . ?
C11 C12 H12 120.4 . . ?
C7 C12 H12 120.4 . . ?
C14 C13 C18 119.8(6) . . ?
C14 C13 P1 117.2(5) . . ?
C18 C13 P1 122.9(5) . . ?
C13 C14 C15 120.5(7) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C16 120.3(8) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 119.4(7) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 120.5(7) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C17 C18 C13 119.4(7) . . ?
C17 C18 H18 120.3 . . ?
C13 C18 H18 120.3 . . ?
C24 C19 C20 118.0(5) . . ?
C24 C19 Au1 121.9(4) . . ?
C20 C19 Au1 120.0(4) . . ?
C21 C20 C19 119.8(5) . . ?
C21 C20 C25 118.8(5) . . ?
C19 C20 C25 121.3(5) . . ?
F11 C21 C22 118.3(5) . . ?
F11 C21 C20 120.4(5) . . ?
C22 C21 C20 121.3(5) . . ?
F12 C22 C21 120.4(5) . . ?
F12 C22 C23 120.6(5) . . ?
C21 C22 C23 119.0(5) . . ?
F13 C23 C22 117.9(5) . . ?
F13 C23 C24 120.1(5) . . ?
C22 C23 C24 122.0(6) . . ?
C23 C24 C19 119.8(5) . . ?
C23 C24 C31 119.1(5) . . ?
C19 C24 C31 121.1(5) . . ?
C26 C25 C30 115.8(5) . . ?
C26 C25 C20 121.3(5) . . ?
C30 C25 C20 122.8(5) . . ?
F1 C26 C27 118.3(5) . . ?
F1 C26 C25 118.6(5) . . ?
C27 C26 C25 123.1(6) . . ?
F2 C27 C26 121.7(6) . . ?
F2 C27 C28 119.0(6) . . ?
C26 C27 C28 119.3(6) . . ?
F3 C28 C29 119.4(6) . . ?
F3 C28 C27 120.6(5) . . ?
C29 C28 C27 120.0(6) . . ?
F4 C29 C30 120.2(5) . . ?
F4 C29 C28 120.1(5) . . ?
C30 C29 C28 119.7(6) . . ?
F5 C30 C29 118.8(5) . . ?
F5 C30 C25 119.1(5) . . ?
C29 C30 C25 122.1(5) . . ?
C36 C31 C32 116.4(5) . . ?
C36 C31 C24 123.4(5) . . ?
C32 C31 C24 120.3(5) . . ?
F6 C32 C33 118.8(6) . . ?
F6 C32 C31 118.8(5) . . ?
C33 C32 C31 122.4(6) . . ?
F7 C33 C34 120.7(6) . . ?
F7 C33 C32 120.1(6) . . ?
C34 C33 C32 119.1(6) . . ?
F8 C34 C33 120.0(6) . . ?
F8 C34 C35 119.0(6) . . ?
C33 C34 C35 121.0(6) . . ?
F9 C35 C34 120.4(6) . . ?
F9 C35 C36 121.0(6) . . ?
C34 C35 C36 118.6(6) . . ?
F10 C36 C31 120.1(5) . . ?
F10 C36 C35 117.4(6) . . ?
C31 C36 C35 122.5(6) . . ?
C55 Au2 P2 176.81(15) . . ?
C37 P2 C49 104.3(3) . . ?
C37 P2 C43 104.3(3) . . ?
C49 P2 C43 107.3(3) . . ?
C37 P2 Au2 112.85(19) . . ?
C49 P2 Au2 114.2(2) . . ?
C43 P2 Au2 113.0(2) . . ?
C42 C37 C38 118.4(5) . . ?
C42 C37 P2 123.3(4) . . ?
C38 C37 P2 118.2(4) . . ?
C39 C38 C37 120.6(6) . . ?
C39 C38 H38 119.7 . . ?
C37 C38 H38 119.7 . . ?
C40 C39 C38 120.1(6) . . ?
C40 C39 H39 119.9 . . ?
C38 C39 H39 119.9 . . ?
C41 C40 C39 119.5(6) . . ?
C41 C40 H40 120.2 . . ?
C39 C40 H40 120.2 . . ?
C40 C41 C42 120.7(6) . . ?
C40 C41 H41 119.6 . . ?
C42 C41 H41 119.6 . . ?
C37 C42 C41 120.6(5) . . ?
C37 C42 H42 119.7 . . ?
C41 C42 H42 119.7 . . ?
C48 C43 C44 119.8(6) . . ?
C48 C43 P2 121.9(5) . . ?
C44 C43 P2 118.3(5) . . ?
C43 C44 C45 119.1(7) . . ?
C43 C44 H44 120.5 . . ?
C45 C44 H44 120.5 . . ?
C46 C45 C44 119.8(7) . . ?
C46 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C45 C46 C47 121.6(7) . . ?
C45 C46 H46 119.2 . . ?
C47 C46 H46 119.2 . . ?
C46 C47 C48 119.2(7) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 H47 120.4 . . ?
C43 C48 C47 120.5(7) . . ?
C43 C48 H48 119.7 . . ?
C47 C48 H48 119.7 . . ?
C54 C49 C50 119.4(5) . . ?
C54 C49 P2 123.1(5) . . ?
C50 C49 P2 117.5(5) . . ?
C51 C50 C49 119.9(6) . . ?
C51 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C52 C51 C50 120.1(6) . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C53 C52 C51 120.4(6) . . ?
C53 C52 H52 119.8 . . ?
C51 C52 H52 119.8 . . ?
C52 C53 C54 120.1(6) . . ?
C52 C53 H53 119.9 . . ?
C54 C53 H53 119.9 . . ?
C53 C54 C49 120.0(6) . . ?
C53 C54 H54 120.0 . . ?
C49 C54 H54 120.0 . . ?
C60 C55 C56 117.8(5) . . ?
C60 C55 Au2 121.5(4) . . ?
C56 C55 Au2 120.7(4) . . ?
C57 C56 C55 120.0(5) . . ?
C57 C56 C61 119.8(6) . . ?
C55 C56 C61 120.2(5) . . ?
F24 C57 C58 118.3(5) . . ?
F24 C57 C56 120.3(5) . . ?
C58 C57 C56 121.4(6) . . ?
F25 C58 C57 120.1(5) . . ?
F25 C58 C59 120.5(5) . . ?
C57 C58 C59 119.4(5) . . ?
F26 C59 C58 119.0(5) . . ?
F26 C59 C60 120.0(5) . . ?
C58 C59 C60 121.0(5) . . ?
C59 C60 C55 120.3(5) . . ?
C59 C60 C67 119.6(5) . . ?
C55 C60 C67 120.1(5) . . ?
C66 C61 C62 117.0(6) . . ?
C66 C61 C56 121.2(6) . . ?
C62 C61 C56 121.7(6) . . ?
F14 C62 C63 120.6(7) . . ?
F14 C62 C61 118.9(6) . . ?
C63 C62 C61 120.5(7) . . ?
F15 C63 C64 120.2(8) . . ?
F15 C63 C62 118.6(8) . . ?
C64 C63 C62 121.2(7) . . ?
F16 C64 C63 120.1(8) . . ?
F16 C64 C65 120.9(8) . . ?
C63 C64 C65 118.9(7) . . ?
F17 C65 C64 119.4(7) . . ?
F17 C65 C66 120.7(7) . . ?
C64 C65 C66 119.9(7) . . ?
F18 C66 C61 120.0(6) . . ?
F18 C66 C65 117.6(6) . . ?
C61 C66 C65 122.3(7) . . ?
C72 C67 C68 116.5(6) . . ?
C72 C67 C60 122.2(5) . . ?
C68 C67 C60 121.3(6) . . ?
F19 C68 C69 117.6(6) . . ?
F19 C68 C67 120.5(6) . . ?
C69 C68 C67 122.0(6) . . ?
F20 C69 C70 120.2(7) . . ?
F20 C69 C68 120.8(7) . . ?
C70 C69 C68 119.0(7) . . ?
C71 C70 F21 119.2(7) . . ?
C71 C70 C69 121.0(7) . . ?
F21 C70 C69 119.8(7) . . ?
F22 C71 C70 120.6(6) . . ?
F22 C71 C72 121.0(6) . . ?
C70 C71 C72 118.3(7) . . ?
F23 C72 C67 119.8(6) . . ?
F23 C72 C71 116.9(6) . . ?
C67 C72 C71 123.3(6) . . ?

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
C7 P1 C1 C6 -99.3(5) . . . . ?
C13 P1 C1 C6 13.4(6) . . . . ?
Au1 P1 C1 C6 137.3(5) . . . . ?
C7 P1 C1 C2 82.2(5) . . . . ?
C13 P1 C1 C2 -165.2(5) . . . . ?
Au1 P1 C1 C2 -41.3(5) . . . . ?
C6 C1 C2 C3 1.3(10) . . . . ?
P1 C1 C2 C3 179.9(5) . . . . ?
C1 C2 C3 C4 -1.1(10) . . . . ?
C2 C3 C4 C5 1.1(10) . . . . ?
C3 C4 C5 C6 -1.2(10) . . . . ?
C2 C1 C6 C5 -1.4(9) . . . . ?
P1 C1 C6 C5 -180.0(5) . . . . ?
C4 C5 C6 C1 1.4(10) . . . . ?
C1 P1 C7 C8 -146.8(5) . . . . ?
C13 P1 C7 C8 103.7(5) . . . . ?
Au1 P1 C7 C8 -22.5(6) . . . . ?
C1 P1 C7 C12 32.9(6) . . . . ?
C13 P1 C7 C12 -76.6(6) . . . . ?
Au1 P1 C7 C12 157.2(5) . . . . ?
C12 C7 C8 C9 -0.9(10) . . . . ?
P1 C7 C8 C9 178.9(5) . . . . ?
C7 C8 C9 C10 0.8(11) . . . . ?
C8 C9 C10 C11 0.5(12) . . . . ?
C9 C10 C11 C12 -1.8(12) . . . . ?
C10 C11 C12 C7 1.7(12) . . . . ?
C8 C7 C12 C11 -0.4(10) . . . . ?
P1 C7 C12 C11 179.9(5) . . . . ?
C7 P1 C13 C14 -163.7(5) . . . . ?
C1 P1 C13 C14 85.1(5) . . . . ?
Au1 P1 C13 C14 -38.5(5) . . . . ?
C7 P1 C13 C18 18.5(6) . . . . ?
C1 P1 C13 C18 -92.7(5) . . . . ?
Au1 P1 C13 C18 143.7(5) . . . . ?
C18 C13 C14 C15 2.6(9) . . . . ?
P1 C13 C14 C15 -175.3(5) . . . . ?
C13 C14 C15 C16 0.1(10) . . . . ?
C14 C15 C16 C17 -2.4(11) . . . . ?
C15 C16 C17 C18 2.1(11) . . . . ?
C16 C17 C18 C13 0.5(10) . . . . ?
C14 C13 C18 C17 -2.8(9) . . . . ?
P1 C13 C18 C17 174.9(5) . . . . ?
C24 C19 C20 C21 2.8(8) . . . . ?
Au1 C19 C20 C21 -179.7(4) . . . . ?
C24 C19 C20 C25 -173.0(5) . . . . ?
Au1 C19 C20 C25 4.5(7) . . . . ?
C19 C20 C21 F11 -179.7(5) . . . . ?
C25 C20 C21 F11 -3.9(8) . . . . ?
C19 C20 C21 C22 0.4(8) . . . . ?
C25 C20 C21 C22 176.3(5) . . . . ?
F11 C21 C22 F12 -1.3(8) . . . . ?
C20 C21 C22 F12 178.5(5) . . . . ?
F11 C21 C22 C23 177.0(5) . . . . ?
C20 C21 C22 C23 -3.1(8) . . . . ?
F12 C22 C23 F13 1.3(8) . . . . ?
C21 C22 C23 F13 -177.0(5) . . . . ?
F12 C22 C23 C24 -179.0(5) . . . . ?
C21 C22 C23 C24 2.6(9) . . . . ?
F13 C23 C24 C19 -179.7(5) . . . . ?
C22 C23 C24 C19 0.6(9) . . . . ?
F13 C23 C24 C31 2.8(8) . . . . ?
C22 C23 C24 C31 -176.9(5) . . . . ?
C20 C19 C24 C23 -3.3(8) . . . . ?
Au1 C19 C24 C23 179.3(4) . . . . ?
C20 C19 C24 C31 174.2(5) . . . . ?
Au1 C19 C24 C31 -3.3(7) . . . . ?
C21 C20 C25 C26 -75.4(7) . . . . ?
C19 C20 C25 C26 100.4(7) . . . . ?
C21 C20 C25 C30 107.2(7) . . . . ?
C19 C20 C25 C30 -77.0(7) . . . . ?
C30 C25 C26 F1 179.4(5) . . . . ?
C20 C25 C26 F1 1.8(9) . . . . ?
C30 C25 C26 C27 1.1(9) . . . . ?
C20 C25 C26 C27 -176.5(6) . . . . ?
F1 C26 C27 F2 2.3(10) . . . . ?
C25 C26 C27 F2 -179.4(6) . . . . ?
F1 C26 C27 C28 -178.7(6) . . . . ?
C25 C26 C27 C28 -0.4(11) . . . . ?
F2 C27 C28 F3 -1.9(10) . . . . ?
C26 C27 C28 F3 179.0(6) . . . . ?
F2 C27 C28 C29 178.9(6) . . . . ?
C26 C27 C28 C29 -0.2(10) . . . . ?
F3 C28 C29 F4 0.4(10) . . . . ?
C27 C28 C29 F4 179.6(6) . . . . ?
F3 C28 C29 C30 -179.3(6) . . . . ?
C27 C28 C29 C30 -0.1(10) . . . . ?
F4 C29 C30 F5 0.7(9) . . . . ?
C28 C29 C30 F5 -179.6(6) . . . . ?
F4 C29 C30 C25 -178.8(6) . . . . ?
C28 C29 C30 C25 0.9(9) . . . . ?
C26 C25 C30 F5 179.1(5) . . . . ?
C20 C25 C30 F5 -3.3(9) . . . . ?
C26 C25 C30 C29 -1.4(9) . . . . ?
C20 C25 C30 C29 176.2(6) . . . . ?
C23 C24 C31 C36 -111.8(7) . . . . ?
C19 C24 C31 C36 70.8(7) . . . . ?
C23 C24 C31 C32 70.0(7) . . . . ?
C19 C24 C31 C32 -107.5(6) . . . . ?
C36 C31 C32 F6 -179.4(5) . . . . ?
C24 C31 C32 F6 -1.0(8) . . . . ?
C36 C31 C32 C33 1.6(9) . . . . ?
C24 C31 C32 C33 180.0(5) . . . . ?
F6 C32 C33 F7 1.9(9) . . . . ?
C31 C32 C33 F7 -179.1(5) . . . . ?
F6 C32 C33 C34 178.9(5) . . . . ?
C31 C32 C33 C34 -2.1(9) . . . . ?
F7 C33 C34 F8 -2.4(9) . . . . ?
C32 C33 C34 F8 -179.4(5) . . . . ?
F7 C33 C34 C35 179.1(6) . . . . ?
C32 C33 C34 C35 2.1(10) . . . . ?
F8 C34 C35 F9 -0.4(9) . . . . ?
C33 C34 C35 F9 178.2(6) . . . . ?
F8 C34 C35 C36 179.9(5) . . . . ?
C33 C34 C35 C36 -1.6(9) . . . . ?
C32 C31 C36 F10 -178.4(5) . . . . ?
C24 C31 C36 F10 3.3(9) . . . . ?
C32 C31 C36 C35 -1.1(9) . . . . ?
C24 C31 C36 C35 -179.4(5) . . . . ?
F9 C35 C36 F10 -1.2(8) . . . . ?
C34 C35 C36 F10 178.5(5) . . . . ?
F9 C35 C36 C31 -178.6(5) . . . . ?
C34 C35 C36 C31 1.1(9) . . . . ?
C49 P2 C37 C42 1.6(6) . . . . ?
C43 P2 C37 C42 -110.9(5) . . . . ?
Au2 P2 C37 C42 126.1(5) . . . . ?
C49 P2 C37 C38 -176.5(5) . . . . ?
C43 P2 C37 C38 71.0(5) . . . . ?
Au2 P2 C37 C38 -52.0(5) . . . . ?
C42 C37 C38 C39 1.7(9) . . . . ?
P2 C37 C38 C39 179.9(5) . . . . ?
C37 C38 C39 C40 -0.9(10) . . . . ?
C38 C39 C40 C41 -1.0(10) . . . . ?
C39 C40 C41 C42 2.1(10) . . . . ?
C38 C37 C42 C41 -0.7(9) . . . . ?
P2 C37 C42 C41 -178.7(4) . . . . ?
C40 C41 C42 C37 -1.3(9) . . . . ?
C37 P2 C43 C48 29.7(6) . . . . ?
C49 P2 C43 C48 -80.7(5) . . . . ?
Au2 P2 C43 C48 152.6(4) . . . . ?
C37 P2 C43 C44 -149.9(5) . . . . ?
C49 P2 C43 C44 99.7(5) . . . . ?
Au2 P2 C43 C44 -27.0(5) . . . . ?
C48 C43 C44 C45 1.3(10) . . . . ?
P2 C43 C44 C45 -179.1(5) . . . . ?
C43 C44 C45 C46 -1.3(11) . . . . ?
C44 C45 C46 C47 0.5(12) . . . . ?
C45 C46 C47 C48 0.3(11) . . . . ?
C44 C43 C48 C47 -0.6(9) . . . . ?
P2 C43 C48 C47 179.9(5) . . . . ?
C46 C47 C48 C43 -0.2(10) . . . . ?
C37 P2 C49 C54 -88.6(6) . . . . ?
C43 P2 C49 C54 21.7(6) . . . . ?
Au2 P2 C49 C54 147.7(5) . . . . ?
C37 P2 C49 C50 91.1(5) . . . . ?
C43 P2 C49 C50 -158.6(5) . . . . ?
Au2 P2 C49 C50 -32.6(5) . . . . ?
C54 C49 C50 C51 3.0(9) . . . . ?
P2 C49 C50 C51 -176.7(5) . . . . ?
C49 C50 C51 C52 -1.0(9) . . . . ?
C50 C51 C52 C53 -1.5(10) . . . . ?
C51 C52 C53 C54 2.0(11) . . . . ?
C52 C53 C54 C49 0.0(10) . . . . ?
C50 C49 C54 C53 -2.5(9) . . . . ?
P2 C49 C54 C53 177.2(5) . . . . ?
C60 C55 C56 C57 -2.0(8) . . . . ?
Au2 C55 C56 C57 175.7(4) . . . . ?
C60 C55 C56 C61 179.4(5) . . . . ?
Au2 C55 C56 C61 -2.9(7) . . . . ?
C55 C56 C57 F24 -179.3(5) . . . . ?
C61 C56 C57 F24 -0.6(9) . . . . ?
C55 C56 C57 C58 1.4(9) . . . . ?
C61 C56 C57 C58 -179.9(6) . . . . ?
F24 C57 C58 F25 0.9(9) . . . . ?
C56 C57 C58 F25 -179.8(5) . . . . ?
F24 C57 C58 C59 -179.4(5) . . . . ?
C56 C57 C58 C59 -0.1(9) . . . . ?
F25 C58 C59 F26 0.3(9) . . . . ?
C57 C58 C59 F26 -179.4(5) . . . . ?
F25 C58 C59 C60 179.0(5) . . . . ?
C57 C58 C59 C60 -0.7(9) . . . . ?
F26 C59 C60 C55 178.8(5) . . . . ?
C58 C59 C60 C55 0.1(9) . . . . ?
F26 C59 C60 C67 0.1(8) . . . . ?
C58 C59 C60 C67 -178.6(5) . . . . ?
C56 C55 C60 C59 1.2(8) . . . . ?
Au2 C55 C60 C59 -176.4(4) . . . . ?
C56 C55 C60 C67 179.9(5) . . . . ?
Au2 C55 C60 C67 2.2(7) . . . . ?
C57 C56 C61 C66 103.2(7) . . . . ?
C55 C56 C61 C66 -78.1(8) . . . . ?
C57 C56 C61 C62 -78.1(8) . . . . ?
C55 C56 C61 C62 100.6(8) . . . . ?
C66 C61 C62 F14 -177.8(6) . . . . ?
C56 C61 C62 F14 3.5(10) . . . . ?
C66 C61 C62 C63 4.1(11) . . . . ?
C56 C61 C62 C63 -174.7(7) . . . . ?
F14 C62 C63 F15 -1.5(12) . . . . ?
C61 C62 C63 F15 176.6(7) . . . . ?
F14 C62 C63 C64 180.0(7) . . . . ?
C61 C62 C63 C64 -1.9(12) . . . . ?
F15 C63 C64 F16 -0.1(12) . . . . ?
C62 C63 C64 F16 178.3(7) . . . . ?
F15 C63 C64 C65 -179.2(7) . . . . ?
C62 C63 C64 C65 -0.8(12) . . . . ?
F16 C64 C65 F17 0.2(11) . . . . ?
C63 C64 C65 F17 179.3(7) . . . . ?
F16 C64 C65 C66 -178.0(6) . . . . ?
C63 C64 C65 C66 1.1(11) . . . . ?
C62 C61 C66 F18 177.5(6) . . . . ?
C56 C61 C66 F18 -3.7(10) . . . . ?
C62 C61 C66 C65 -3.8(10) . . . . ?
C56 C61 C66 C65 174.9(6) . . . . ?
F17 C65 C66 F18 1.8(10) . . . . ?
C64 C65 C66 F18 180.0(6) . . . . ?
F17 C65 C66 C61 -176.9(6) . . . . ?
C64 C65 C66 C61 1.3(11) . . . . ?
C59 C60 C67 C72 -73.4(8) . . . . ?
C55 C60 C67 C72 107.9(7) . . . . ?
C59 C60 C67 C68 109.1(7) . . . . ?
C55 C60 C67 C68 -69.5(7) . . . . ?
C72 C67 C68 F19 179.2(6) . . . . ?
C60 C67 C68 F19 -3.3(9) . . . . ?
C72 C67 C68 C69 0.3(9) . . . . ?
C60 C67 C68 C69 177.8(6) . . . . ?
F19 C68 C69 F20 0.9(10) . . . . ?
C67 C68 C69 F20 179.8(6) . . . . ?
F19 C68 C69 C70 -179.0(6) . . . . ?
C67 C68 C69 C70 -0.1(11) . . . . ?
F20 C69 C70 C71 -179.8(7) . . . . ?
C68 C69 C70 C71 0.1(12) . . . . ?
F20 C69 C70 F21 0.2(11) . . . . ?
C68 C69 C70 F21 -179.8(6) . . . . ?
F21 C70 C71 F22 0.3(11) . . . . ?
C69 C70 C71 F22 -179.7(7) . . . . ?
F21 C70 C71 C72 179.7(6) . . . . ?
C69 C70 C71 C72 -0.3(11) . . . . ?
C68 C67 C72 F23 -179.1(5) . . . . ?
C60 C67 C72 F23 3.3(9) . . . . ?
C68 C67 C72 C71 -0.5(9) . . . . ?
C60 C67 C72 C71 -178.0(6) . . . . ?
F22 C71 C72 F23 -1.4(9) . . . . ?
C70 C71 C72 F23 179.2(6) . . . . ?
F22 C71 C72 C67 179.9(6) . . . . ?
C70 C71 C72 C67 0.5(10) . . . . ?

_refine_diff_density_max         3.280
_refine_diff_density_min         -0.725
_refine_diff_density_rms         0.145

####################################################################### 
# 
# 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_300alb
_database_code_depnum_ccdc_archive 'CCDC 1981846'
loop_
_audit_author_name
_audit_author_address
'Ciprian I. Rat'
;Babes Bolyai University
Romania
;
_audit_update_record             
;
2020-02-04 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H17 Au Cl2 F15 P, C H Cl3'
_chemical_formula_sum            'C43 H18 Au Cl5 F15 P'
_chemical_formula_weight         1224.76

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.723(2)
_cell_length_b                   12.1740(18)
_cell_length_c                   24.203(4)
_cell_angle_alpha                90
_cell_angle_beta                 99.761(3)
_cell_angle_gamma                90
_cell_volume                     4275.2(11)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    5684
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      20.57

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.903
_exptl_crystal_F_000             2360
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.082
_exptl_absorpt_coefficient_mu    3.890
_shelx_estimated_absorpt_T_min   0.292
_shelx_estimated_absorpt_T_max   0.741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.292
_exptl_absorpt_correction_T_max  0.741
_exptl_absorpt_process_details   'Bruker, 2001.'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41023
_diffrn_reflns_av_unetI/netI     0.0860
_diffrn_reflns_av_R_equivalents  0.0876
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.514
_diffrn_reflns_theta_max         25.148
_diffrn_reflns_theta_full        25.148
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7654
_reflns_number_gt                6554
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond (Brandenburg, 2009)'
_computing_publication_material  
;
WinGX publication routines (Farrugia, 1999)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7654
_refine_ls_number_parameters     586
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.0976
_refine_ls_wR_factor_gt          0.0935
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      0.999
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.23956(2) 0.32808(2) 0.46589(2) 0.02850(8) Uani 1 1 d . . . . .
Cl1 Cl 0.36779(9) 0.25313(12) 0.52505(6) 0.0457(3) Uani 1 1 d . . . . .
Cl2 Cl 0.18202(10) 0.38427(12) 0.54512(5) 0.0449(3) Uani 1 1 d . . . . .
Cl3 Cl 0.25233(15) 0.03087(16) 0.60154(8) 0.0829(6) Uani 1 1 d . . . . .
Cl4 Cl 0.1509(2) 0.17531(19) 0.66168(13) 0.1098(9) Uani 1 1 d . . . . .
Cl5 Cl 0.34805(19) 0.18018(18) 0.68210(10) 0.0984(7) Uani 1 1 d . . . . .
P1 P 0.31195(9) 0.28708(11) 0.38953(6) 0.0321(3) Uani 1 1 d . . . . .
F1 F 0.2782(2) 0.5664(3) 0.39552(14) 0.0516(8) Uani 1 1 d . . . . .
F2 F 0.3875(2) 0.7074(3) 0.46093(19) 0.0716(11) Uani 1 1 d . . . . .
F3 F 0.3269(3) 0.8041(3) 0.54944(18) 0.0761(12) Uani 1 1 d . . . . .
F4 F 0.1562(3) 0.7583(3) 0.57041(15) 0.0721(11) Uani 1 1 d . . . . .
F5 F 0.0507(2) 0.6093(3) 0.50776(15) 0.0569(9) Uani 1 1 d . . . . .
F6 F 0.0441(3) 0.1727(2) 0.29437(13) 0.0525(9) Uani 1 1 d . . . . .
F7 F 0.0643(3) -0.0451(3) 0.29977(16) 0.0815(13) Uani 1 1 d . . . . .
F8 F 0.0894(3) -0.1499(3) 0.40001(19) 0.0838(14) Uani 1 1 d . . . . .
F9 F 0.0921(3) -0.0329(3) 0.49521(16) 0.0687(11) Uani 1 1 d . . . . .
F10 F 0.0712(3) 0.1854(2) 0.49104(14) 0.0543(9) Uani 1 1 d . . . . .
F11 F -0.0053(3) 0.6150(4) 0.26228(18) 0.0827(12) Uani 1 1 d . . . . .
F12 F -0.1400(4) 0.7030(4) 0.1872(2) 0.1164(18) Uani 1 1 d . . . . .
F13 F -0.3185(4) 0.6526(5) 0.1903(2) 0.122(2) Uani 1 1 d . . . . .
F14 F -0.3597(3) 0.5079(5) 0.26702(19) 0.1158(19) Uani 1 1 d . . . . .
F15 F -0.2252(2) 0.4198(4) 0.34318(18) 0.0782(12) Uani 1 1 d . . . . .
C1 C 0.2444(4) 0.2843(5) 0.3193(2) 0.0406(13) Uani 1 1 d . . . . .
C2 C 0.1906(4) 0.3732(5) 0.2984(2) 0.0439(14) Uani 1 1 d . . . . .
H2 H 0.183026 0.431722 0.321934 0.053 Uiso 1 1 calc R U . . .
C3 C 0.1480(5) 0.3758(6) 0.2430(3) 0.0617(18) Uani 1 1 d . . . . .
H3 H 0.112244 0.435808 0.229054 0.074 Uiso 1 1 calc R U . . .
C4 C 0.1593(6) 0.2876(7) 0.2083(3) 0.079(2) Uani 1 1 d . . . . .
H4 H 0.130869 0.288729 0.170935 0.095 Uiso 1 1 calc R U . . .
C5 C 0.2114(6) 0.1999(7) 0.2286(3) 0.081(2) Uani 1 1 d . . . . .
H5 H 0.218066 0.141091 0.205054 0.098 Uiso 1 1 calc R U . . .
C6 C 0.2550(5) 0.1971(5) 0.2841(3) 0.0604(18) Uani 1 1 d . . . . .
H6 H 0.291019 0.137015 0.297701 0.072 Uiso 1 1 calc R U . . .
C7 C 0.3659(4) 0.1531(4) 0.4003(2) 0.0375(13) Uani 1 1 d . . . . .
C8 C 0.3181(5) 0.0676(5) 0.4194(3) 0.0620(18) Uani 1 1 d . . . . .
H8 H 0.258353 0.078560 0.425990 0.074 Uiso 1 1 calc R U . . .
C9 C 0.3585(6) -0.0328(6) 0.4285(4) 0.085(3) Uani 1 1 d . . . . .
H9 H 0.326351 -0.090193 0.441658 0.103 Uiso 1 1 calc R U . . .
C10 C 0.4451(6) -0.0496(6) 0.4186(4) 0.079(2) Uani 1 1 d . . . . .
H10 H 0.472411 -0.118195 0.425617 0.095 Uiso 1 1 calc R U . . .
C11 C 0.4918(5) 0.0317(6) 0.3988(4) 0.090(3) Uani 1 1 d . . . . .
H11 H 0.550589 0.018880 0.391068 0.108 Uiso 1 1 calc R U . . .
C12 C 0.4522(4) 0.1352(5) 0.3898(3) 0.0651(19) Uani 1 1 d . . . . .
H12 H 0.484938 0.192097 0.376672 0.078 Uiso 1 1 calc R U . . .
C13 C 0.4042(4) 0.3837(4) 0.3856(2) 0.0363(12) Uani 1 1 d . . . . .
C14 C 0.4704(4) 0.4056(5) 0.4325(3) 0.0535(16) Uani 1 1 d . . . . .
H14 H 0.465927 0.372177 0.466469 0.064 Uiso 1 1 calc R U . . .
C15 C 0.5420(4) 0.4757(5) 0.4294(3) 0.0582(17) Uani 1 1 d . . . . .
H15 H 0.587158 0.487098 0.460688 0.070 Uiso 1 1 calc R U . . .
C16 C 0.5471(5) 0.5288(6) 0.3805(3) 0.0645(18) Uani 1 1 d . . . . .
H16 H 0.594814 0.578061 0.378824 0.077 Uiso 1 1 calc R U . . .
C17 C 0.4821(5) 0.5101(6) 0.3337(3) 0.069(2) Uani 1 1 d . . . . .
H17 H 0.485741 0.546684 0.300388 0.083 Uiso 1 1 calc R U . . .
C18 C 0.4124(5) 0.4378(6) 0.3360(3) 0.0604(18) Uani 1 1 d . . . . .
H18 H 0.369358 0.424358 0.303896 0.072 Uiso 1 1 calc R U . . .
C19 C 0.1202(3) 0.3848(4) 0.41865(18) 0.0264(10) Uani 1 1 d . . . . .
C20 C 0.1027(3) 0.4980(4) 0.4159(2) 0.0314(11) Uani 1 1 d . . . . .
C21 C 0.0259(4) 0.5378(4) 0.3807(2) 0.0389(13) Uani 1 1 d . . . . .
H21 H 0.014995 0.613122 0.379061 0.047 Uiso 1 1 calc R U . . .
C22 C -0.0354(4) 0.4679(4) 0.3476(2) 0.0377(12) Uani 1 1 d . . . . .
C23 C -0.0214(3) 0.3558(4) 0.3538(2) 0.0344(12) Uani 1 1 d . . . . .
H23 H -0.064025 0.308211 0.333604 0.041 Uiso 1 1 calc R U . . .
C24 C 0.0543(3) 0.3117(4) 0.3893(2) 0.0301(11) Uani 1 1 d . . . . .
C25 C 0.1616(3) 0.5794(4) 0.4509(2) 0.0293(11) Uani 1 1 d . . . . .
C26 C 0.2475(4) 0.6103(4) 0.4406(2) 0.0363(12) Uani 1 1 d . . . . .
C27 C 0.3041(4) 0.6834(4) 0.4729(3) 0.0454(15) Uani 1 1 d . . . . .
C28 C 0.2742(4) 0.7323(5) 0.5172(3) 0.0502(15) Uani 1 1 d . . . . .
C29 C 0.1880(4) 0.7073(5) 0.5283(2) 0.0456(14) Uani 1 1 d . . . . .
C30 C 0.1327(4) 0.6324(4) 0.4953(2) 0.0388(13) Uani 1 1 d . . . . .
C31 C 0.0633(4) 0.1903(4) 0.3927(2) 0.0339(12) Uani 1 1 d . . . . .
C32 C 0.0574(4) 0.1259(4) 0.3452(2) 0.0398(13) Uani 1 1 d . . . . .
C33 C 0.0665(4) 0.0135(5) 0.3469(3) 0.0486(14) Uani 1 1 d . . . . .
C34 C 0.0796(4) -0.0402(5) 0.3976(3) 0.0551(16) Uani 1 1 d . . . . .
C35 C 0.0815(4) 0.0186(5) 0.4458(3) 0.0482(15) Uani 1 1 d . . . . .
C36 C 0.0726(4) 0.1327(4) 0.4427(2) 0.0353(12) Uani 1 1 d . . . . .
C37 C -0.1113(4) 0.5152(5) 0.3058(2) 0.0460(14) Uani 1 1 d . . . . .
C38 C -0.0921(5) 0.5889(5) 0.2652(3) 0.0600(18) Uani 1 1 d . . . . .
C39 C -0.1604(6) 0.6342(7) 0.2262(3) 0.073(2) Uani 1 1 d . . . . .
C40 C -0.2493(6) 0.6076(7) 0.2276(3) 0.082(3) Uani 1 1 d . . . . .
C41 C -0.2727(5) 0.5354(7) 0.2662(3) 0.073(2) Uani 1 1 d . . . . .
C42 C -0.2020(4) 0.4898(6) 0.3050(3) 0.0554(17) Uani 1 1 d . . . . .
C43 C 0.2499(5) 0.1596(5) 0.6317(3) 0.0634(19) Uani 1 1 d . . . . .
H43 H 0.248961 0.215167 0.602285 0.076 Uiso 1 1 calc R U . . .


_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 C19 2.047(4) . ?
Au1 Cl2 2.3266(13) . ?
Au1 P1 2.3385(14) . ?
Au1 Cl1 2.3517(13) . ?
Cl3 C43 1.732(7) . ?
Cl4 C43 1.746(8) . ?
Cl5 C43 1.744(8) . ?
P1 C13 1.811(5) . ?
P1 C7 1.813(5) . ?
P1 C1 1.819(5) . ?
F1 C26 1.359(6) . ?
F2 C27 1.341(7) . ?
F3 C28 1.330(6) . ?
F4 C29 1.343(6) . ?
F5 C30 1.323(6) . ?
F6 C32 1.340(6) . ?
F7 C33 1.342(6) . ?
F8 C34 1.344(6) . ?
F9 C35 1.337(6) . ?
F10 C36 1.337(6) . ?
F11 C38 1.329(8) . ?
F12 C39 1.334(9) . ?
F13 C40 1.358(8) . ?
F14 C41 1.328(9) . ?
F15 C42 1.345(8) . ?
C1 C2 1.385(8) . ?
C1 C6 1.386(8) . ?
C2 C3 1.381(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.390(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.358(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.356(8) . ?
C7 C8 1.378(8) . ?
C8 C9 1.361(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.351(10) . ?
C9 H9 0.9300 . ?
C10 C11 1.339(11) . ?
C10 H10 0.9300 . ?
C11 C12 1.390(9) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.390(8) . ?
C13 C18 1.393(8) . ?
C14 C15 1.368(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.362(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.373(9) . ?
C16 H16 0.9300 . ?
C17 C18 1.360(9) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.401(6) . ?
C19 C24 1.415(7) . ?
C20 C21 1.384(7) . ?
C20 C25 1.485(7) . ?
C21 C22 1.391(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.385(7) . ?
C22 C37 1.491(7) . ?
C23 C24 1.394(7) . ?
C23 H23 0.9300 . ?
C24 C31 1.485(6) . ?
C25 C30 1.380(7) . ?
C25 C26 1.382(7) . ?
C26 C27 1.369(8) . ?
C27 C28 1.364(9) . ?
C28 C29 1.374(8) . ?
C29 C30 1.384(8) . ?
C31 C32 1.383(7) . ?
C31 C36 1.385(7) . ?
C32 C33 1.374(8) . ?
C33 C34 1.375(8) . ?
C34 C35 1.364(9) . ?
C35 C36 1.396(7) . ?
C37 C42 1.366(9) . ?
C37 C38 1.395(9) . ?
C38 C39 1.373(9) . ?
C39 C40 1.355(12) . ?
C40 C41 1.368(12) . ?
C41 C42 1.393(9) . ?
C43 H43 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
C19 Au1 Cl2 87.89(13) . . ?
C19 Au1 P1 95.38(13) . . ?
Cl2 Au1 P1 172.98(5) . . ?
C19 Au1 Cl1 174.51(13) . . ?
Cl2 Au1 Cl1 88.81(5) . . ?
P1 Au1 Cl1 88.39(5) . . ?
C13 P1 C7 106.1(3) . . ?
C13 P1 C1 105.0(2) . . ?
C7 P1 C1 105.9(3) . . ?
C13 P1 Au1 110.42(17) . . ?
C7 P1 Au1 108.98(19) . . ?
C1 P1 Au1 119.50(19) . . ?
C2 C1 C6 119.5(5) . . ?
C2 C1 P1 121.0(4) . . ?
C6 C1 P1 119.1(5) . . ?
C3 C2 C1 120.6(6) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 119.2(7) . . ?
C2 C3 H3 120.4 . . ?
C4 C3 H3 120.4 . . ?
C5 C4 C3 120.5(7) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.6(7) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C5 119.6(6) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
C12 C7 C8 119.3(5) . . ?
C12 C7 P1 121.3(5) . . ?
C8 C7 P1 119.4(4) . . ?
C9 C8 C7 119.9(6) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C10 C9 C8 120.4(7) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C11 C10 C9 120.5(7) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.0(7) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 119.8(7) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C18 117.5(5) . . ?
C14 C13 P1 120.7(4) . . ?
C18 C13 P1 121.8(4) . . ?
C15 C14 C13 121.0(6) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C16 C15 C14 120.0(6) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.3(6) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C18 C17 C16 119.9(6) . . ?
C18 C17 H17 120.1 . . ?
C16 C17 H17 120.1 . . ?
C17 C18 C13 121.2(6) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C20 C19 C24 119.3(4) . . ?
C20 C19 Au1 119.4(3) . . ?
C24 C19 Au1 121.2(3) . . ?
C21 C20 C19 119.9(4) . . ?
C21 C20 C25 117.0(4) . . ?
C19 C20 C25 123.1(4) . . ?
C20 C21 C22 121.5(5) . . ?
C20 C21 H21 119.2 . . ?
C22 C21 H21 119.2 . . ?
C23 C22 C21 118.1(5) . . ?
C23 C22 C37 122.4(5) . . ?
C21 C22 C37 119.5(5) . . ?
C22 C23 C24 122.4(5) . . ?
C22 C23 H23 118.8 . . ?
C24 C23 H23 118.8 . . ?
C23 C24 C19 118.4(4) . . ?
C23 C24 C31 118.1(4) . . ?
C19 C24 C31 123.4(4) . . ?
C30 C25 C26 115.3(5) . . ?
C30 C25 C20 121.9(4) . . ?
C26 C25 C20 122.8(4) . . ?
F1 C26 C27 117.4(5) . . ?
F1 C26 C25 118.5(5) . . ?
C27 C26 C25 124.0(5) . . ?
F2 C27 C28 120.3(5) . . ?
F2 C27 C26 120.6(6) . . ?
C28 C27 C26 119.1(6) . . ?
F3 C28 C27 121.0(6) . . ?
F3 C28 C29 119.8(6) . . ?
C27 C28 C29 119.3(5) . . ?
F4 C29 C28 119.9(5) . . ?
F4 C29 C30 119.7(5) . . ?
C28 C29 C30 120.3(5) . . ?
F5 C30 C25 119.5(5) . . ?
F5 C30 C29 118.6(5) . . ?
C25 C30 C29 121.9(5) . . ?
C32 C31 C36 115.0(5) . . ?
C32 C31 C24 121.7(5) . . ?
C36 C31 C24 123.2(5) . . ?
F6 C32 C33 116.7(5) . . ?
F6 C32 C31 120.1(5) . . ?
C33 C32 C31 123.2(5) . . ?
F7 C33 C32 121.0(5) . . ?
F7 C33 C34 119.1(5) . . ?
C32 C33 C34 119.9(5) . . ?
F8 C34 C35 119.9(6) . . ?
F8 C34 C33 120.6(6) . . ?
C35 C34 C33 119.5(5) . . ?
F9 C35 C34 120.1(5) . . ?
F9 C35 C36 120.6(5) . . ?
C34 C35 C36 119.3(5) . . ?
F10 C36 C31 120.5(5) . . ?
F10 C36 C35 116.5(5) . . ?
C31 C36 C35 123.0(5) . . ?
C42 C37 C38 116.7(6) . . ?
C42 C37 C22 122.7(6) . . ?
C38 C37 C22 120.6(6) . . ?
F11 C38 C39 117.8(7) . . ?
F11 C38 C37 120.2(5) . . ?
C39 C38 C37 122.0(7) . . ?
F12 C39 C40 120.3(7) . . ?
F12 C39 C38 120.8(8) . . ?
C40 C39 C38 119.0(8) . . ?
C39 C40 F13 120.3(9) . . ?
C39 C40 C41 121.9(7) . . ?
F13 C40 C41 117.8(9) . . ?
F14 C41 C40 121.8(7) . . ?
F14 C41 C42 120.2(8) . . ?
C40 C41 C42 118.0(7) . . ?
F15 C42 C37 119.7(5) . . ?
F15 C42 C41 117.9(6) . . ?
C37 C42 C41 122.4(7) . . ?
Cl3 C43 Cl5 110.5(4) . . ?
Cl3 C43 Cl4 110.6(4) . . ?
Cl5 C43 Cl4 110.2(4) . . ?
Cl3 C43 H43 108.5 . . ?
Cl5 C43 H43 108.5 . . ?
Cl4 C43 H43 108.5 . . ?

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
C13 P1 C1 C2 -70.8(5) . . . . ?
C7 P1 C1 C2 177.1(5) . . . . ?
Au1 P1 C1 C2 53.7(5) . . . . ?
C13 P1 C1 C6 102.0(5) . . . . ?
C7 P1 C1 C6 -10.0(6) . . . . ?
Au1 P1 C1 C6 -133.4(5) . . . . ?
C6 C1 C2 C3 -0.4(9) . . . . ?
P1 C1 C2 C3 172.5(5) . . . . ?
C1 C2 C3 C4 0.4(10) . . . . ?
C2 C3 C4 C5 0.0(12) . . . . ?
C3 C4 C5 C6 -0.5(13) . . . . ?
C2 C1 C6 C5 -0.1(10) . . . . ?
P1 C1 C6 C5 -173.1(6) . . . . ?
C4 C5 C6 C1 0.5(13) . . . . ?
C13 P1 C7 C12 -17.0(6) . . . . ?
C1 P1 C7 C12 94.3(6) . . . . ?
Au1 P1 C7 C12 -135.9(5) . . . . ?
C13 P1 C7 C8 163.1(5) . . . . ?
C1 P1 C7 C8 -85.5(5) . . . . ?
Au1 P1 C7 C8 44.2(5) . . . . ?
C12 C7 C8 C9 1.3(11) . . . . ?
P1 C7 C8 C9 -178.9(6) . . . . ?
C7 C8 C9 C10 -0.5(13) . . . . ?
C8 C9 C10 C11 -1.1(14) . . . . ?
C9 C10 C11 C12 1.9(14) . . . . ?
C8 C7 C12 C11 -0.5(11) . . . . ?
P1 C7 C12 C11 179.7(6) . . . . ?
C10 C11 C12 C7 -1.1(13) . . . . ?
C7 P1 C13 C14 -67.6(5) . . . . ?
C1 P1 C13 C14 -179.5(5) . . . . ?
Au1 P1 C13 C14 50.4(5) . . . . ?
C7 P1 C13 C18 111.9(5) . . . . ?
C1 P1 C13 C18 -0.1(6) . . . . ?
Au1 P1 C13 C18 -130.2(5) . . . . ?
C18 C13 C14 C15 -1.6(9) . . . . ?
P1 C13 C14 C15 177.8(5) . . . . ?
C13 C14 C15 C16 2.8(10) . . . . ?
C14 C15 C16 C17 -1.9(11) . . . . ?
C15 C16 C17 C18 -0.2(12) . . . . ?
C16 C17 C18 C13 1.4(11) . . . . ?
C14 C13 C18 C17 -0.5(10) . . . . ?
P1 C13 C18 C17 -179.9(6) . . . . ?
C24 C19 C20 C21 -6.0(7) . . . . ?
Au1 C19 C20 C21 174.9(4) . . . . ?
C24 C19 C20 C25 171.9(4) . . . . ?
Au1 C19 C20 C25 -7.2(6) . . . . ?
C19 C20 C21 C22 0.3(8) . . . . ?
C25 C20 C21 C22 -177.8(5) . . . . ?
C20 C21 C22 C23 4.6(8) . . . . ?
C20 C21 C22 C37 -173.3(5) . . . . ?
C21 C22 C23 C24 -3.8(8) . . . . ?
C37 C22 C23 C24 174.0(5) . . . . ?
C22 C23 C24 C19 -1.8(8) . . . . ?
C22 C23 C24 C31 -179.7(5) . . . . ?
C20 C19 C24 C23 6.7(7) . . . . ?
Au1 C19 C24 C23 -174.2(4) . . . . ?
C20 C19 C24 C31 -175.5(5) . . . . ?
Au1 C19 C24 C31 3.6(7) . . . . ?
C21 C20 C25 C30 70.5(6) . . . . ?
C19 C20 C25 C30 -107.5(6) . . . . ?
C21 C20 C25 C26 -107.4(6) . . . . ?
C19 C20 C25 C26 74.6(6) . . . . ?
C30 C25 C26 F1 -176.1(4) . . . . ?
C20 C25 C26 F1 1.9(7) . . . . ?
C30 C25 C26 C27 3.4(7) . . . . ?
C20 C25 C26 C27 -178.5(5) . . . . ?
F1 C26 C27 F2 -2.0(8) . . . . ?
C25 C26 C27 F2 178.5(5) . . . . ?
F1 C26 C27 C28 177.6(5) . . . . ?
C25 C26 C27 C28 -2.0(8) . . . . ?
F2 C27 C28 F3 -0.2(9) . . . . ?
C26 C27 C28 F3 -179.7(5) . . . . ?
F2 C27 C28 C29 179.3(5) . . . . ?
C26 C27 C28 C29 -0.2(9) . . . . ?
F3 C28 C29 F4 2.3(9) . . . . ?
C27 C28 C29 F4 -177.2(5) . . . . ?
F3 C28 C29 C30 -179.7(6) . . . . ?
C27 C28 C29 C30 0.8(9) . . . . ?
C26 C25 C30 F5 179.0(5) . . . . ?
C20 C25 C30 F5 1.0(8) . . . . ?
C26 C25 C30 C29 -2.8(8) . . . . ?
C20 C25 C30 C29 179.2(5) . . . . ?
F4 C29 C30 F5 -3.0(8) . . . . ?
C28 C29 C30 F5 179.0(5) . . . . ?
F4 C29 C30 C25 178.8(5) . . . . ?
C28 C29 C30 C25 0.8(9) . . . . ?
C23 C24 C31 C32 51.0(7) . . . . ?
C19 C24 C31 C32 -126.8(6) . . . . ?
C23 C24 C31 C36 -125.1(6) . . . . ?
C19 C24 C31 C36 57.1(7) . . . . ?
C36 C31 C32 F6 176.9(5) . . . . ?
C24 C31 C32 F6 0.5(8) . . . . ?
C36 C31 C32 C33 -4.4(8) . . . . ?
C24 C31 C32 C33 179.2(5) . . . . ?
F6 C32 C33 F7 1.6(8) . . . . ?
C31 C32 C33 F7 -177.1(5) . . . . ?
F6 C32 C33 C34 -179.5(5) . . . . ?
C31 C32 C33 C34 1.9(9) . . . . ?
F7 C33 C34 F8 -0.5(9) . . . . ?
C32 C33 C34 F8 -179.4(6) . . . . ?
F7 C33 C34 C35 -179.7(6) . . . . ?
C32 C33 C34 C35 1.3(9) . . . . ?
F8 C34 C35 F9 -0.8(9) . . . . ?
C33 C34 C35 F9 178.5(5) . . . . ?
F8 C34 C35 C36 179.1(5) . . . . ?
C33 C34 C35 C36 -1.6(9) . . . . ?
C32 C31 C36 F10 -174.4(5) . . . . ?
C24 C31 C36 F10 1.9(8) . . . . ?
C32 C31 C36 C35 4.1(8) . . . . ?
C24 C31 C36 C35 -179.6(5) . . . . ?
F9 C35 C36 F10 -2.7(8) . . . . ?
C34 C35 C36 F10 177.4(5) . . . . ?
F9 C35 C36 C31 178.7(5) . . . . ?
C34 C35 C36 C31 -1.2(9) . . . . ?
C23 C22 C37 C42 57.4(8) . . . . ?
C21 C22 C37 C42 -124.8(6) . . . . ?
C23 C22 C37 C38 -122.7(6) . . . . ?
C21 C22 C37 C38 55.1(8) . . . . ?
C42 C37 C38 F11 -178.0(6) . . . . ?
C22 C37 C38 F11 2.2(9) . . . . ?
C42 C37 C38 C39 0.1(10) . . . . ?
C22 C37 C38 C39 -179.7(6) . . . . ?
F11 C38 C39 F12 -0.7(11) . . . . ?
C37 C38 C39 F12 -178.8(7) . . . . ?
F11 C38 C39 C40 179.0(7) . . . . ?
C37 C38 C39 C40 0.8(11) . . . . ?
F12 C39 C40 F13 -1.6(12) . . . . ?
C38 C39 C40 F13 178.8(6) . . . . ?
F12 C39 C40 C41 178.5(7) . . . . ?
C38 C39 C40 C41 -1.2(12) . . . . ?
C39 C40 C41 F14 -178.9(6) . . . . ?
F13 C40 C41 F14 1.1(11) . . . . ?
C39 C40 C41 C42 0.7(12) . . . . ?
F13 C40 C41 C42 -179.3(5) . . . . ?
C38 C37 C42 F15 -179.7(6) . . . . ?
C22 C37 C42 F15 0.2(9) . . . . ?
C38 C37 C42 C41 -0.7(9) . . . . ?
C22 C37 C42 C41 179.2(6) . . . . ?
F14 C41 C42 F15 -1.2(9) . . . . ?
C40 C41 C42 F15 179.3(6) . . . . ?
F14 C41 C42 C37 179.9(6) . . . . ?
C40 C41 C42 C37 0.3(10) . . . . ?

_refine_diff_density_max         0.970
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.106

####################################################################### 
# 
# 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_262ale
_database_code_depnum_ccdc_archive 'CCDC 1985132'
loop_
_audit_author_name
_audit_author_address
'Ciprian I. Rat'
;Babes Bolyai University
Romania
;
_audit_update_record             
;
2020-02-04 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H20 Au F10 P'
_chemical_formula_sum            'C37 H20 Au F10 P'
_chemical_formula_weight         882.47

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.861(3)
_cell_length_b                   9.823(4)
_cell_length_c                   19.310(7)
_cell_angle_alpha                83.090(6)
_cell_angle_beta                 89.197(7)
_cell_angle_gamma                77.683(7)
_cell_volume                     1630.1(10)
_cell_formula_units_Z            2
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    3987
_cell_measurement_theta_min      2.27
_cell_measurement_theta_max      21.57

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.798
_exptl_crystal_F_000             852
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.320
_exptl_crystal_size_min          0.250
_exptl_absorpt_coefficient_mu    4.646
_shelx_estimated_absorpt_T_min   0.271
_shelx_estimated_absorpt_T_max   0.390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.271
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'Bruker, 2001.'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16037
_diffrn_reflns_av_unetI/netI     0.0562
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.062
_diffrn_reflns_theta_max         25.149
_diffrn_reflns_theta_full        25.149
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5823
_reflns_number_gt                4998
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond (Brandenburg, 2009)'
_computing_publication_material  
;
WinGX publication routines (Farrugia, 1999)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0522P)²+0.1845P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5823
_refine_ls_number_parameters     443
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.1021
_refine_ls_wR_factor_gt          0.0910
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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 0.31535(3) 0.59167(2) 0.27256(2) 0.04771(11) Uani 1 1 d . . . . .
P1 P 0.46684(19) 0.40242(17) 0.22891(9) 0.0456(4) Uani 1 1 d . . . . .
F1 F 0.3385(5) 0.7980(5) 0.4876(2) 0.0737(11) Uani 1 1 d . . . . .
F2 F 0.4255(6) 0.5881(5) 0.5896(2) 0.0898(14) Uani 1 1 d . . . . .
F3 F 0.3278(7) 0.3443(5) 0.5894(2) 0.0984(16) Uani 1 1 d . . . . .
F4 F 0.1437(6) 0.3118(5) 0.4839(3) 0.0891(14) Uani 1 1 d . . . . .
F5 F 0.0495(5) 0.5229(5) 0.3831(2) 0.0763(12) Uani 1 1 d . . . . .
F6 F 0.4382(6) 0.8920(5) 0.2011(3) 0.0921(14) Uani 1 1 d . . . . .
F7 F 0.5135(10) 0.8727(7) 0.0679(3) 0.143(3) Uani 1 1 d . . . . .
F8 F 0.2985(12) 0.8490(7) -0.0256(3) 0.168(3) Uani 1 1 d . . . . .
F9 F 0.0104(11) 0.8456(7) 0.0157(3) 0.172(4) Uani 1 1 d . . . . .
F10 F -0.0719(8) 0.8722(7) 0.1504(3) 0.126(2) Uani 1 1 d . . . . .
C1 C 0.6599(7) 0.4308(7) 0.2091(3) 0.0516(16) Uani 1 1 d . . . . .
C2 C 0.7174(9) 0.5249(8) 0.2429(4) 0.0679(19) Uani 1 1 d . . . . .
H2 H 0.656850 0.574158 0.275232 0.081 Uiso 1 1 calc R U . . .
C3 C 0.8647(11) 0.5468(11) 0.2290(5) 0.093(3) Uani 1 1 d . . . . .
H3 H 0.902631 0.609548 0.252717 0.112 Uiso 1 1 calc R U . . .
C4 C 0.9544(10) 0.4781(12) 0.1812(6) 0.100(3) Uani 1 1 d . . . . .
H4 H 1.053183 0.493389 0.172261 0.120 Uiso 1 1 calc R U . . .
C5 C 0.8970(10) 0.3846(11) 0.1459(5) 0.092(3) Uani 1 1 d . . . . .
H5 H 0.957550 0.337496 0.112808 0.111 Uiso 1 1 calc R U . . .
C6 C 0.7517(8) 0.3611(8) 0.1594(4) 0.0660(19) Uani 1 1 d . . . . .
H6 H 0.714098 0.298456 0.135351 0.079 Uiso 1 1 calc R U . . .
C7 C 0.3915(7) 0.3757(6) 0.1456(3) 0.0495(15) Uani 1 1 d . . . . .
C8 C 0.3689(11) 0.4853(9) 0.0924(4) 0.083(2) Uani 1 1 d . . . . .
H8 H 0.398956 0.567812 0.099339 0.099 Uiso 1 1 calc R U . . .
C9 C 0.3038(12) 0.4765(10) 0.0298(4) 0.093(3) Uani 1 1 d . . . . .
H9 H 0.289967 0.552550 -0.004902 0.111 Uiso 1 1 calc R U . . .
C10 C 0.2593(10) 0.3579(10) 0.0179(4) 0.079(2) Uani 1 1 d . . . . .
H10 H 0.215806 0.351205 -0.024778 0.095 Uiso 1 1 calc R U . . .
C11 C 0.2793(11) 0.2487(9) 0.0696(5) 0.088(3) Uani 1 1 d . . . . .
H11 H 0.248942 0.166733 0.061900 0.106 Uiso 1 1 calc R U . . .
C12 C 0.3437(9) 0.2567(8) 0.1330(4) 0.075(2) Uani 1 1 d . . . . .
H12 H 0.355001 0.180805 0.167747 0.090 Uiso 1 1 calc R U . . .
C13 C 0.4890(7) 0.2354(7) 0.2838(3) 0.0497(15) Uani 1 1 d . . . . .
C14 C 0.3818(9) 0.2218(8) 0.3344(4) 0.076(2) Uani 1 1 d . . . . .
H14 H 0.299760 0.296679 0.339331 0.091 Uiso 1 1 calc R U . . .
C15 C 0.3943(12) 0.0988(9) 0.3780(5) 0.099(3) Uani 1 1 d . . . . .
H15 H 0.321931 0.091289 0.412779 0.119 Uiso 1 1 calc R U . . .
C16 C 0.5095(11) -0.0097(10) 0.3706(5) 0.098(3) Uani 1 1 d . . . . .
H16 H 0.517573 -0.092270 0.400767 0.118 Uiso 1 1 calc R U . . .
C17 C 0.6173(10) -0.0013(8) 0.3188(5) 0.090(3) Uani 1 1 d . . . . .
H17 H 0.696214 -0.078374 0.313410 0.108 Uiso 1 1 calc R U . . .
C18 C 0.6071(9) 0.1211(8) 0.2755(4) 0.070(2) Uani 1 1 d . . . . .
H18 H 0.679339 0.127713 0.240573 0.084 Uiso 1 1 calc R U . . .
C19 C 0.1841(7) 0.7714(6) 0.3048(3) 0.0446(14) Uani 1 1 d . . . . .
C20 C 0.1422(7) 0.7879(7) 0.3739(3) 0.0512(15) Uani 1 1 d . . . . .
C21 C 0.0601(8) 0.9147(7) 0.3933(4) 0.0626(18) Uani 1 1 d . . . . .
H21 H 0.033497 0.920836 0.439712 0.075 Uiso 1 1 calc R U . . .
C22 C 0.0171(9) 1.0327(8) 0.3440(4) 0.069(2) Uani 1 1 d . . . . .
C23 C 0.0558(9) 1.0194(7) 0.2752(4) 0.067(2) Uani 1 1 d . . . . .
H23 H 0.027387 1.096134 0.241308 0.080 Uiso 1 1 calc R U . . .
C24 C 0.1371(8) 0.8916(7) 0.2563(3) 0.0572(17) Uani 1 1 d . . . . .
C25 C 0.1919(7) 0.6684(7) 0.4302(3) 0.0532(16) Uani 1 1 d . . . . .
C26 C 0.2877(8) 0.6789(7) 0.4845(3) 0.0548(17) Uani 1 1 d . . . . .
C27 C 0.3336(8) 0.5717(8) 0.5386(4) 0.0633(19) Uani 1 1 d . . . . .
C28 C 0.2853(9) 0.4490(8) 0.5382(4) 0.0662(19) Uani 1 1 d . . . . .
C29 C 0.1920(9) 0.4337(7) 0.4841(4) 0.0648(19) Uani 1 1 d . . . . .
C30 C 0.1476(8) 0.5405(8) 0.4320(4) 0.0593(17) Uani 1 1 d . . . . .
C31 C 0.1793(11) 0.8818(7) 0.1805(4) 0.069(2) Uani 1 1 d . . . . .
C32 C 0.3298(12) 0.8813(8) 0.1568(4) 0.074(2) Uani 1 1 d . . . . .
C33 C 0.3665(16) 0.8721(9) 0.0876(5) 0.101(3) Uani 1 1 d . . . . .
C34 C 0.261(2) 0.8601(10) 0.0415(5) 0.134(6) Uani 1 1 d . . . . .
C35 C 0.1147(17) 0.8558(10) 0.0621(5) 0.105(4) Uani 1 1 d . . . . .
C36 C 0.0752(14) 0.8713(9) 0.1310(5) 0.090(3) Uani 1 1 d . . . . .
C37 C -0.0665(11) 1.1724(9) 0.3653(5) 0.092(3) Uani 1 1 d . . . . .
H37A H -0.001287 1.205044 0.395980 0.139 Uiso 1 1 calc R U . . .
H37B H -0.159921 1.161225 0.388889 0.139 Uiso 1 1 calc R U . . .
H37C H -0.091151 1.239511 0.324493 0.139 Uiso 1 1 calc R U . . .


_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 C19 2.056(6) . ?
Au1 P1 2.2910(17) . ?
P1 C13 1.818(6) . ?
P1 C7 1.818(7) . ?
P1 C1 1.819(6) . ?
F1 C26 1.348(8) . ?
F2 C27 1.333(8) . ?
F3 C28 1.333(8) . ?
F4 C29 1.355(8) . ?
F5 C30 1.343(8) . ?
F6 C32 1.323(9) . ?
F7 C33 1.353(13) . ?
F8 C34 1.344(11) . ?
F9 C35 1.323(11) . ?
F10 C36 1.350(11) . ?
C1 C2 1.376(9) . ?
C1 C6 1.397(9) . ?
C2 C3 1.385(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.355(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.389(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.372(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.373(9) . ?
C7 C8 1.380(10) . ?
C8 C9 1.367(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.352(12) . ?
C9 H9 0.9300 . ?
C10 C11 1.357(12) . ?
C10 H10 0.9300 . ?
C11 C12 1.378(10) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.368(9) . ?
C13 C18 1.385(10) . ?
C14 C15 1.372(11) . ?
C14 H14 0.9300 . ?
C15 C16 1.328(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.381(12) . ?
C16 H16 0.9300 . ?
C17 C18 1.366(10) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.398(8) . ?
C19 C24 1.408(9) . ?
C20 C21 1.392(9) . ?
C20 C25 1.497(9) . ?
C21 C22 1.396(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.383(10) . ?
C22 C37 1.515(10) . ?
C23 C24 1.395(10) . ?
C23 H23 0.9300 . ?
C24 C31 1.514(10) . ?
C25 C26 1.385(9) . ?
C25 C30 1.391(9) . ?
C26 C27 1.389(10) . ?
C27 C28 1.364(10) . ?
C28 C29 1.384(11) . ?
C29 C30 1.359(10) . ?
C31 C36 1.366(11) . ?
C31 C32 1.404(12) . ?
C32 C33 1.379(12) . ?
C33 C34 1.336(17) . ?
C34 C35 1.355(18) . ?
C35 C36 1.390(14) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?

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
C19 Au1 P1 175.38(17) . . ?
C13 P1 C7 106.0(3) . . ?
C13 P1 C1 107.2(3) . . ?
C7 P1 C1 104.2(3) . . ?
C13 P1 Au1 115.9(2) . . ?
C7 P1 Au1 111.1(2) . . ?
C1 P1 Au1 111.6(2) . . ?
C2 C1 C6 118.6(6) . . ?
C2 C1 P1 119.7(5) . . ?
C6 C1 P1 121.7(5) . . ?
C1 C2 C3 120.4(8) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 121.0(9) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.2(8) . . ?
C3 C4 H4 120.4 . . ?
C5 C4 H4 120.4 . . ?
C6 C5 C4 120.5(9) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C1 120.3(8) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C12 C7 C8 116.7(7) . . ?
C12 C7 P1 124.5(5) . . ?
C8 C7 P1 118.6(5) . . ?
C9 C8 C7 122.1(8) . . ?
C9 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C10 C9 C8 120.5(8) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 118.7(8) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C10 C11 C12 121.4(8) . . ?
C10 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C7 C12 C11 120.7(7) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C14 C13 C18 118.9(6) . . ?
C14 C13 P1 118.2(5) . . ?
C18 C13 P1 122.9(5) . . ?
C13 C14 C15 120.6(8) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C15 C14 120.3(8) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.8(8) . . ?
C15 C16 H16 119.6 . . ?
C17 C16 H16 119.6 . . ?
C18 C17 C16 119.5(8) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C13 119.9(7) . . ?
C17 C18 H18 120.0 . . ?
C13 C18 H18 120.0 . . ?
C20 C19 C24 115.4(6) . . ?
C20 C19 Au1 124.7(5) . . ?
C24 C19 Au1 119.8(5) . . ?
C21 C20 C19 122.2(6) . . ?
C21 C20 C25 117.9(6) . . ?
C19 C20 C25 119.8(6) . . ?
C20 C21 C22 121.0(7) . . ?
C20 C21 H21 119.5 . . ?
C22 C21 H21 119.5 . . ?
C23 C22 C21 118.1(7) . . ?
C23 C22 C37 120.6(7) . . ?
C21 C22 C37 121.2(7) . . ?
C22 C23 C24 120.4(7) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C19 122.8(6) . . ?
C23 C24 C31 118.9(6) . . ?
C19 C24 C31 118.3(6) . . ?
C26 C25 C30 115.4(6) . . ?
C26 C25 C20 121.2(6) . . ?
C30 C25 C20 123.4(6) . . ?
F1 C26 C25 120.3(6) . . ?
F1 C26 C27 116.6(6) . . ?
C25 C26 C27 123.0(7) . . ?
F2 C27 C28 120.5(7) . . ?
F2 C27 C26 120.4(7) . . ?
C28 C27 C26 119.1(7) . . ?
F3 C28 C27 120.4(7) . . ?
F3 C28 C29 120.1(7) . . ?
C27 C28 C29 119.4(7) . . ?
F4 C29 C30 120.3(7) . . ?
F4 C29 C28 119.3(7) . . ?
C30 C29 C28 120.3(7) . . ?
F5 C30 C29 117.7(7) . . ?
F5 C30 C25 119.5(6) . . ?
C29 C30 C25 122.6(7) . . ?
C36 C31 C32 115.5(8) . . ?
C36 C31 C24 122.7(9) . . ?
C32 C31 C24 121.8(7) . . ?
F6 C32 C33 119.2(10) . . ?
F6 C32 C31 119.7(7) . . ?
C33 C32 C31 121.1(9) . . ?
C34 C33 F7 120.8(11) . . ?
C34 C33 C32 121.0(12) . . ?
F7 C33 C32 118.3(11) . . ?
C33 C34 F8 120.4(16) . . ?
C33 C34 C35 120.3(10) . . ?
F8 C34 C35 119.3(15) . . ?
F9 C35 C34 119.8(12) . . ?
F9 C35 C36 121.2(13) . . ?
C34 C35 C36 119.0(10) . . ?
F10 C36 C31 118.4(9) . . ?
F10 C36 C35 118.5(9) . . ?
C31 C36 C35 123.0(11) . . ?
C22 C37 H37A 109.5 . . ?
C22 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C22 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 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
C13 P1 C1 C2 -104.0(6) . . . . ?
C7 P1 C1 C2 143.9(6) . . . . ?
Au1 P1 C1 C2 23.9(6) . . . . ?
C13 P1 C1 C6 77.1(6) . . . . ?
C7 P1 C1 C6 -35.0(6) . . . . ?
Au1 P1 C1 C6 -155.0(5) . . . . ?
C6 C1 C2 C3 -1.7(11) . . . . ?
P1 C1 C2 C3 179.4(6) . . . . ?
C1 C2 C3 C4 1.1(13) . . . . ?
C2 C3 C4 C5 0.0(15) . . . . ?
C3 C4 C5 C6 -0.5(14) . . . . ?
C4 C5 C6 C1 -0.2(13) . . . . ?
C2 C1 C6 C5 1.3(11) . . . . ?
P1 C1 C6 C5 -179.8(6) . . . . ?
C13 P1 C7 C12 7.7(7) . . . . ?
C1 P1 C7 C12 120.7(6) . . . . ?
Au1 P1 C7 C12 -119.0(6) . . . . ?
C13 P1 C7 C8 -177.5(6) . . . . ?
C1 P1 C7 C8 -64.5(7) . . . . ?
Au1 P1 C7 C8 55.8(6) . . . . ?
C12 C7 C8 C9 -0.7(13) . . . . ?
P1 C7 C8 C9 -175.8(8) . . . . ?
C7 C8 C9 C10 -0.2(15) . . . . ?
C8 C9 C10 C11 0.6(15) . . . . ?
C9 C10 C11 C12 -0.1(15) . . . . ?
C8 C7 C12 C11 1.1(12) . . . . ?
P1 C7 C12 C11 176.0(7) . . . . ?
C10 C11 C12 C7 -0.8(14) . . . . ?
C7 P1 C13 C14 -103.7(6) . . . . ?
C1 P1 C13 C14 145.4(6) . . . . ?
Au1 P1 C13 C14 20.1(7) . . . . ?
C7 P1 C13 C18 74.8(6) . . . . ?
C1 P1 C13 C18 -36.0(7) . . . . ?
Au1 P1 C13 C18 -161.4(5) . . . . ?
C18 C13 C14 C15 2.4(13) . . . . ?
P1 C13 C14 C15 -179.0(7) . . . . ?
C13 C14 C15 C16 -1.2(16) . . . . ?
C14 C15 C16 C17 -0.7(17) . . . . ?
C15 C16 C17 C18 1.4(16) . . . . ?
C16 C17 C18 C13 -0.2(14) . . . . ?
C14 C13 C18 C17 -1.7(12) . . . . ?
P1 C13 C18 C17 179.7(7) . . . . ?
C24 C19 C20 C21 -0.2(9) . . . . ?
Au1 C19 C20 C21 176.4(5) . . . . ?
C24 C19 C20 C25 -177.5(6) . . . . ?
Au1 C19 C20 C25 -0.9(8) . . . . ?
C19 C20 C21 C22 -0.7(11) . . . . ?
C25 C20 C21 C22 176.6(7) . . . . ?
C20 C21 C22 C23 1.2(11) . . . . ?
C20 C21 C22 C37 -177.5(7) . . . . ?
C21 C22 C23 C24 -0.8(12) . . . . ?
C37 C22 C23 C24 177.9(7) . . . . ?
C22 C23 C24 C19 -0.2(12) . . . . ?
C22 C23 C24 C31 -179.1(7) . . . . ?
C20 C19 C24 C23 0.7(10) . . . . ?
Au1 C19 C24 C23 -176.1(6) . . . . ?
C20 C19 C24 C31 179.6(6) . . . . ?
Au1 C19 C24 C31 2.8(9) . . . . ?
C21 C20 C25 C26 -59.7(9) . . . . ?
C19 C20 C25 C26 117.7(7) . . . . ?
C21 C20 C25 C30 120.8(7) . . . . ?
C19 C20 C25 C30 -61.8(9) . . . . ?
C30 C25 C26 F1 179.5(6) . . . . ?
C20 C25 C26 F1 -0.1(10) . . . . ?
C30 C25 C26 C27 -1.9(10) . . . . ?
C20 C25 C26 C27 178.5(6) . . . . ?
F1 C26 C27 F2 -1.1(9) . . . . ?
C25 C26 C27 F2 -179.7(6) . . . . ?
F1 C26 C27 C28 179.8(6) . . . . ?
C25 C26 C27 C28 1.2(10) . . . . ?
F2 C27 C28 F3 0.8(11) . . . . ?
C26 C27 C28 F3 179.9(6) . . . . ?
F2 C27 C28 C29 -178.9(6) . . . . ?
C26 C27 C28 C29 0.2(11) . . . . ?
F3 C28 C29 F4 0.4(10) . . . . ?
C27 C28 C29 F4 -179.9(6) . . . . ?
F3 C28 C29 C30 179.6(6) . . . . ?
C27 C28 C29 C30 -0.7(11) . . . . ?
F4 C29 C30 F5 3.1(10) . . . . ?
C28 C29 C30 F5 -176.1(6) . . . . ?
F4 C29 C30 C25 179.0(6) . . . . ?
C28 C29 C30 C25 -0.2(11) . . . . ?
C26 C25 C30 F5 177.2(6) . . . . ?
C20 C25 C30 F5 -3.2(10) . . . . ?
C26 C25 C30 C29 1.4(10) . . . . ?
C20 C25 C30 C29 -179.0(6) . . . . ?
C23 C24 C31 C36 -77.4(9) . . . . ?
C19 C24 C31 C36 103.7(9) . . . . ?
C23 C24 C31 C32 103.4(9) . . . . ?
C19 C24 C31 C32 -75.6(9) . . . . ?
C36 C31 C32 F6 179.6(7) . . . . ?
C24 C31 C32 F6 -1.1(11) . . . . ?
C36 C31 C32 C33 0.6(11) . . . . ?
C24 C31 C32 C33 179.9(7) . . . . ?
F6 C32 C33 C34 179.4(8) . . . . ?
C31 C32 C33 C34 -1.6(13) . . . . ?
F6 C32 C33 F7 0.7(12) . . . . ?
C31 C32 C33 F7 179.7(7) . . . . ?
F7 C33 C34 F8 -0.3(15) . . . . ?
C32 C33 C34 F8 -178.9(8) . . . . ?
F7 C33 C34 C35 178.2(9) . . . . ?
C32 C33 C34 C35 -0.4(16) . . . . ?
C33 C34 C35 F9 179.2(8) . . . . ?
F8 C34 C35 F9 -2.3(16) . . . . ?
C33 C34 C35 C36 3.2(16) . . . . ?
F8 C34 C35 C36 -178.2(8) . . . . ?
C32 C31 C36 F10 -179.5(7) . . . . ?
C24 C31 C36 F10 1.2(11) . . . . ?
C32 C31 C36 C35 2.3(12) . . . . ?
C24 C31 C36 C35 -177.0(8) . . . . ?
F9 C35 C36 F10 1.6(13) . . . . ?
C34 C35 C36 F10 177.5(9) . . . . ?
F9 C35 C36 C31 179.8(8) . . . . ?
C34 C35 C36 C31 -4.3(15) . . . . ?

_refine_diff_density_max         1.334
_refine_diff_density_min         -0.433
_refine_diff_density_rms         0.111

####################################################################### 
# 
# 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_shI_3642_CrSi
_database_code_depnum_ccdc_archive 'CCDC 1981847'
loop_
_audit_author_name
_audit_author_address
'Ciprian I. Rat'
;Babes Bolyai University
Romania
;
_audit_update_record             
;
2020-02-04 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H16 Au Cl5 F13 P'
_chemical_formula_weight         1112.68

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.3840(4)
_cell_length_b                   15.1675(6)
_cell_length_c                   24.3914(10)
_cell_angle_alpha                90
_cell_angle_beta                 96.950(4)
_cell_angle_gamma                90
_cell_volume                     3813.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    200.1(3)
_cell_measurement_reflns_used    6496
_cell_measurement_theta_min      2.0790
_cell_measurement_theta_max      30.6920

_exptl_crystal_description       plate
_exptl_crystal_colour            'clear dark colourless'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_F_000             2136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    4.343
_shelx_estimated_absorpt_T_min   0.356
_shelx_estimated_absorpt_T_max   0.845
_exptl_absorpt_correction_T_min  0.21709
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            16225
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_av_R_equivalents  0.0421
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         1.682
_diffrn_reflns_theta_max         25.150
_diffrn_reflns_theta_full        25.150
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6834
_reflns_number_gt                5806
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0223P)²+5.6076P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6834
_refine_ls_number_parameters     514
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0355
_refine_ls_wR_factor_ref         0.0733
_refine_ls_wR_factor_gt          0.0694
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.53724(2) 0.33942(2) 0.24621(2) 0.01998(7) Uani 1 1 d . . . . .
Cl1 Cl 0.37553(13) 0.23997(8) 0.21205(6) 0.0338(3) Uani 1 1 d . . . . .
Cl2 Cl 0.69126(13) 0.24666(8) 0.21492(6) 0.0367(3) Uani 1 1 d . . . . .
Cl3 Cl 0.1805(3) 0.29491(19) 0.55803(12) 0.1098(9) Uani 1 1 d . . . . .
Cl4 Cl -0.0485(3) 0.18798(14) 0.54818(12) 0.1087(10) Uani 1 1 d . . . . .
Cl5 Cl -0.0666(2) 0.37059(14) 0.52019(10) 0.0814(7) Uani 1 1 d . . . . .
P1 P 0.37043(13) 0.43046(8) 0.26775(5) 0.0212(3) Uani 1 1 d . . . . .
F1 F 0.5509(3) 0.5655(2) 0.18207(13) 0.0411(8) Uani 1 1 d . . . . .
F2 F 0.5136(4) 0.5770(3) 0.07270(16) 0.0670(12) Uani 1 1 d . . . . .
F3 F 0.6730(5) 0.4883(3) 0.01085(15) 0.0750(13) Uani 1 1 d . . . . .
F4 F 0.8706(4) 0.3897(3) 0.06057(16) 0.0641(11) Uani 1 1 d . . . . .
F5 F 0.9088(3) 0.3786(2) 0.17064(14) 0.0422(8) Uani 1 1 d . . . . .
F6 F 0.6076(3) 0.49578(18) 0.41958(13) 0.0381(8) Uani 1 1 d . . . . .
F7 F 0.4988(4) 0.4030(2) 0.49563(14) 0.0568(10) Uani 1 1 d . . . . .
F8 F 0.5139(4) 0.2246(2) 0.49703(15) 0.0586(11) Uani 1 1 d . . . . .
F9 F 0.6375(4) 0.13951(19) 0.42095(16) 0.0523(10) Uani 1 1 d . . . . .
F10 F 0.7409(3) 0.23075(19) 0.34344(14) 0.0421(9) Uani 1 1 d . . . . .
F11 F 0.9314(3) 0.56122(19) 0.22984(13) 0.0356(8) Uani 1 1 d . . . . .
F12 F 1.0113(3) 0.5622(2) 0.33898(14) 0.0406(8) Uani 1 1 d . . . . .
F13 F 0.8814(3) 0.4686(2) 0.40767(13) 0.0403(8) Uani 1 1 d . . . . .
C1 C 0.4057(5) 0.5240(3) 0.3135(2) 0.0220(11) Uani 1 1 d . . . . .
C2 C 0.5040(5) 0.5835(3) 0.3038(2) 0.0268(12) Uani 1 1 d . . . . .
H2 H 0.559737 0.571013 0.276608 0.032 Uiso 1 1 calc R U . . .
C3 C 0.5187(6) 0.6610(3) 0.3345(2) 0.0346(13) Uani 1 1 d . . . . .
H3 H 0.585443 0.701425 0.328465 0.042 Uiso 1 1 calc R U . . .
C4 C 0.4381(6) 0.6794(3) 0.3733(2) 0.0355(14) Uani 1 1 d . . . . .
H4 H 0.448402 0.732931 0.393631 0.043 Uiso 1 1 calc R U . . .
C5 C 0.3424(6) 0.6214(4) 0.3831(2) 0.0358(14) Uani 1 1 d . . . . .
H5 H 0.287611 0.634553 0.410533 0.043 Uiso 1 1 calc R U . . .
C6 C 0.3250(5) 0.5435(3) 0.3533(2) 0.0276(12) Uani 1 1 d . . . . .
H6 H 0.258083 0.503705 0.360011 0.033 Uiso 1 1 calc R U . . .
C7 C 0.2536(5) 0.3657(3) 0.3000(2) 0.0272(12) Uani 1 1 d . . . . .
C8 C 0.2880(6) 0.3299(4) 0.3511(3) 0.0446(16) Uani 1 1 d . . . . .
H8 H 0.374150 0.336696 0.368653 0.053 Uiso 1 1 calc R U . . .
C9 C 0.1984(7) 0.2838(4) 0.3773(3) 0.0546(19) Uani 1 1 d . . . . .
H9 H 0.222192 0.260906 0.413307 0.065 Uiso 1 1 calc R U . . .
C10 C 0.0747(6) 0.2710(4) 0.3513(3) 0.0433(16) Uani 1 1 d . . . . .
H10 H 0.013051 0.239325 0.369353 0.052 Uiso 1 1 calc R U . . .
C11 C 0.0403(6) 0.3041(4) 0.2989(3) 0.0424(16) Uani 1 1 d . . . . .
H11 H -0.044462 0.294053 0.280595 0.051 Uiso 1 1 calc R U . . .
C12 C 0.1288(5) 0.3519(3) 0.2730(2) 0.0336(13) Uani 1 1 d . . . . .
H12 H 0.104842 0.375315 0.237064 0.040 Uiso 1 1 calc R U . . .
C13 C 0.2892(5) 0.4766(3) 0.2042(2) 0.0252(12) Uani 1 1 d . . . . .
C14 C 0.2899(6) 0.4349(4) 0.1538(2) 0.0403(15) Uani 1 1 d . . . . .
H14 H 0.337313 0.381715 0.151584 0.048 Uiso 1 1 calc R U . . .
C15 C 0.2225(7) 0.4700(4) 0.1070(3) 0.0545(19) Uani 1 1 d . . . . .
H15 H 0.222882 0.440868 0.072512 0.065 Uiso 1 1 calc R U . . .
C16 C 0.1547(6) 0.5470(4) 0.1100(3) 0.0522(18) Uani 1 1 d . . . . .
H16 H 0.108282 0.571234 0.077556 0.063 Uiso 1 1 calc R U . . .
C17 C 0.1535(6) 0.5892(4) 0.1594(3) 0.0461(17) Uani 1 1 d . . . . .
H17 H 0.105920 0.642400 0.161365 0.055 Uiso 1 1 calc R U . . .
C18 C 0.2212(5) 0.5545(3) 0.2063(2) 0.0353(14) Uani 1 1 d . . . . .
H18 H 0.221260 0.584353 0.240525 0.042 Uiso 1 1 calc R U . . .
C19 C 0.6878(5) 0.4182(3) 0.2774(2) 0.0197(11) Uani 1 1 d . . . . .
C20 C 0.7570(5) 0.4663(3) 0.2417(2) 0.0201(11) Uani 1 1 d . . . . .
C21 C 0.8640(5) 0.5155(3) 0.2638(2) 0.0273(12) Uani 1 1 d . . . . .
C22 C 0.9052(5) 0.5173(3) 0.3194(2) 0.0286(12) Uani 1 1 d . . . . .
C23 C 0.8381(5) 0.4685(3) 0.3535(2) 0.0279(12) Uani 1 1 d . . . . .
C24 C 0.7297(5) 0.4183(3) 0.3345(2) 0.0221(11) Uani 1 1 d . . . . .
C25 C 0.7265(5) 0.4673(3) 0.1802(2) 0.0235(11) Uani 1 1 d . . . . .
C26 C 0.6278(5) 0.5185(3) 0.1530(2) 0.0297(13) Uani 1 1 d . . . . .
C27 C 0.6082(6) 0.5252(4) 0.0968(2) 0.0402(15) Uani 1 1 d . . . . .
C28 C 0.6901(7) 0.4809(4) 0.0661(2) 0.0460(17) Uani 1 1 d . . . . .
C29 C 0.7902(6) 0.4306(4) 0.0912(3) 0.0434(16) Uani 1 1 d . . . . .
C30 C 0.8082(5) 0.4254(3) 0.1477(2) 0.0312(13) Uani 1 1 d . . . . .
C31 C 0.6686(5) 0.3669(3) 0.3762(2) 0.0229(11) Uani 1 1 d . . . . .
C32 C 0.6113(5) 0.4073(3) 0.4177(2) 0.0270(12) Uani 1 1 d . . . . .
C33 C 0.5587(6) 0.3613(4) 0.4578(2) 0.0341(13) Uani 1 1 d . . . . .
C34 C 0.5649(6) 0.2707(4) 0.4585(2) 0.0379(14) Uani 1 1 d . . . . .
C35 C 0.6259(6) 0.2283(3) 0.4192(2) 0.0327(13) Uani 1 1 d . . . . .
C36 C 0.6766(5) 0.2750(3) 0.3791(2) 0.0262(12) Uani 1 1 d . . . . .
C37 C 0.0149(8) 0.2925(4) 0.5631(3) 0.059(2) Uani 1 1 d . . . . .
H37 H 0.001980 0.307176 0.602020 0.070 Uiso 1 1 calc R U . . .


_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 C19 2.041(5) . ?
Au1 P1 2.3244(13) . ?
Au1 Cl2 2.3271(13) . ?
Au1 Cl1 2.3346(13) . ?
Cl3 C37 1.739(8) . ?
Cl4 C37 1.738(7) . ?
Cl5 C37 1.731(7) . ?
P1 C7 1.813(5) . ?
P1 C13 1.813(5) . ?
P1 C1 1.815(5) . ?
F1 C26 1.336(6) . ?
F2 C27 1.337(7) . ?
F3 C28 1.342(7) . ?
F4 C29 1.339(7) . ?
F5 C30 1.329(6) . ?
F6 C32 1.343(6) . ?
F7 C33 1.334(6) . ?
F8 C34 1.332(6) . ?
F9 C35 1.353(6) . ?
F10 C36 1.340(6) . ?
F11 C21 1.341(6) . ?
F12 C22 1.334(6) . ?
F13 C23 1.342(6) . ?
C1 C6 1.388(7) . ?
C1 C2 1.403(7) . ?
C2 C3 1.393(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.366(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.370(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.367(8) . ?
C7 C12 1.396(7) . ?
C8 C9 1.381(8) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(9) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(8) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.380(7) . ?
C13 C14 1.383(7) . ?
C14 C15 1.372(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.371(9) . ?
C15 H15 0.9500 . ?
C16 C17 1.366(9) . ?
C16 H16 0.9500 . ?
C17 C18 1.372(8) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.399(7) . ?
C19 C24 1.408(7) . ?
C20 C21 1.392(7) . ?
C20 C25 1.495(7) . ?
C21 C22 1.372(7) . ?
C22 C23 1.366(7) . ?
C23 C24 1.391(7) . ?
C24 C31 1.484(7) . ?
C25 C30 1.383(7) . ?
C25 C26 1.390(7) . ?
C26 C27 1.364(8) . ?
C27 C28 1.375(9) . ?
C28 C29 1.372(9) . ?
C29 C30 1.371(8) . ?
C31 C32 1.379(7) . ?
C31 C36 1.397(7) . ?
C32 C33 1.367(7) . ?
C33 C34 1.376(8) . ?
C34 C35 1.371(8) . ?
C35 C36 1.364(7) . ?
C37 H37 1.0000 . ?

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
C19 Au1 P1 97.23(13) . . ?
C19 Au1 Cl2 87.17(13) . . ?
P1 Au1 Cl2 173.61(5) . . ?
C19 Au1 Cl1 175.60(13) . . ?
P1 Au1 Cl1 86.62(5) . . ?
Cl2 Au1 Cl1 89.17(5) . . ?
C7 P1 C13 108.2(2) . . ?
C7 P1 C1 104.7(2) . . ?
C13 P1 C1 105.2(2) . . ?
C7 P1 Au1 109.40(17) . . ?
C13 P1 Au1 108.56(17) . . ?
C1 P1 Au1 120.20(17) . . ?
C6 C1 C2 119.6(4) . . ?
C6 C1 P1 120.1(4) . . ?
C2 C1 P1 119.7(4) . . ?
C3 C2 C1 119.1(5) . . ?
C3 C2 H2 120.5 . . ?
C1 C2 H2 120.5 . . ?
C4 C3 C2 120.6(5) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.5(5) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 120.4(5) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.8(5) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C8 C7 C12 119.7(5) . . ?
C8 C7 P1 119.7(4) . . ?
C12 C7 P1 120.6(4) . . ?
C7 C8 C9 120.4(6) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 120.2(6) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.8(6) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 120.2(6) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C11 C12 C7 119.5(6) . . ?
C11 C12 H12 120.2 . . ?
C7 C12 H12 120.2 . . ?
C18 C13 C14 118.8(5) . . ?
C18 C13 P1 119.1(4) . . ?
C14 C13 P1 122.1(4) . . ?
C15 C14 C13 120.4(5) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 119.9(6) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 120.5(6) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.7(6) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C17 C18 C13 120.7(6) . . ?
C17 C18 H18 119.6 . . ?
C13 C18 H18 119.6 . . ?
C20 C19 C24 119.7(4) . . ?
C20 C19 Au1 120.0(4) . . ?
C24 C19 Au1 120.0(4) . . ?
C21 C20 C19 118.9(5) . . ?
C21 C20 C25 116.4(4) . . ?
C19 C20 C25 124.6(4) . . ?
F11 C21 C22 118.5(5) . . ?
F11 C21 C20 119.3(5) . . ?
C22 C21 C20 122.2(5) . . ?
F12 C22 C23 121.2(5) . . ?
F12 C22 C21 120.6(5) . . ?
C23 C22 C21 118.1(5) . . ?
F13 C23 C22 117.6(5) . . ?
F13 C23 C24 119.4(5) . . ?
C22 C23 C24 123.0(5) . . ?
C23 C24 C19 118.1(5) . . ?
C23 C24 C31 117.1(5) . . ?
C19 C24 C31 124.8(4) . . ?
C30 C25 C26 116.9(5) . . ?
C30 C25 C20 119.9(5) . . ?
C26 C25 C20 122.6(5) . . ?
F1 C26 C27 117.9(5) . . ?
F1 C26 C25 119.9(5) . . ?
C27 C26 C25 122.2(5) . . ?
F2 C27 C26 119.8(6) . . ?
F2 C27 C28 121.2(6) . . ?
C26 C27 C28 118.9(6) . . ?
F3 C28 C29 119.7(6) . . ?
F3 C28 C27 119.4(6) . . ?
C29 C28 C27 120.9(6) . . ?
F4 C29 C30 121.1(6) . . ?
F4 C29 C28 119.9(6) . . ?
C30 C29 C28 119.0(6) . . ?
F5 C30 C29 117.3(5) . . ?
F5 C30 C25 120.7(5) . . ?
C29 C30 C25 122.0(6) . . ?
C32 C31 C36 115.7(5) . . ?
C32 C31 C24 121.9(4) . . ?
C36 C31 C24 122.1(5) . . ?
F6 C32 C33 118.1(5) . . ?
F6 C32 C31 119.0(5) . . ?
C33 C32 C31 122.9(5) . . ?
F7 C33 C32 120.8(5) . . ?
F7 C33 C34 119.3(5) . . ?
C32 C33 C34 119.8(5) . . ?
F8 C34 C35 120.3(5) . . ?
F8 C34 C33 120.8(5) . . ?
C35 C34 C33 118.9(5) . . ?
F9 C35 C36 119.9(5) . . ?
F9 C35 C34 119.5(5) . . ?
C36 C35 C34 120.6(5) . . ?
F10 C36 C35 118.1(4) . . ?
F10 C36 C31 119.9(5) . . ?
C35 C36 C31 121.9(5) . . ?
Cl5 C37 Cl4 110.6(4) . . ?
Cl5 C37 Cl3 111.0(4) . . ?
Cl4 C37 Cl3 110.9(4) . . ?
Cl5 C37 H37 108.1 . . ?
Cl4 C37 H37 108.1 . . ?
Cl3 C37 H37 108.1 . . ?

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
C7 P1 C1 C6 -15.3(5) . . . . ?
C13 P1 C1 C6 98.7(4) . . . . ?
Au1 P1 C1 C6 -138.7(4) . . . . ?
C7 P1 C1 C2 173.3(4) . . . . ?
C13 P1 C1 C2 -72.7(4) . . . . ?
Au1 P1 C1 C2 50.0(5) . . . . ?
C6 C1 C2 C3 0.2(8) . . . . ?
P1 C1 C2 C3 171.6(4) . . . . ?
C1 C2 C3 C4 -0.5(8) . . . . ?
C2 C3 C4 C5 0.9(9) . . . . ?
C3 C4 C5 C6 -0.8(9) . . . . ?
C2 C1 C6 C5 -0.2(8) . . . . ?
P1 C1 C6 C5 -171.5(4) . . . . ?
C4 C5 C6 C1 0.5(8) . . . . ?
C13 P1 C7 C8 -174.4(5) . . . . ?
C1 P1 C7 C8 -62.6(5) . . . . ?
Au1 P1 C7 C8 67.4(5) . . . . ?
C13 P1 C7 C12 5.7(5) . . . . ?
C1 P1 C7 C12 117.5(4) . . . . ?
Au1 P1 C7 C12 -112.5(4) . . . . ?
C12 C7 C8 C9 -3.1(9) . . . . ?
P1 C7 C8 C9 177.0(5) . . . . ?
C7 C8 C9 C10 2.2(10) . . . . ?
C8 C9 C10 C11 0.1(10) . . . . ?
C9 C10 C11 C12 -1.5(9) . . . . ?
C10 C11 C12 C7 0.6(9) . . . . ?
C8 C7 C12 C11 1.7(8) . . . . ?
P1 C7 C12 C11 -178.4(4) . . . . ?
C7 P1 C13 C18 84.7(5) . . . . ?
C1 P1 C13 C18 -26.8(5) . . . . ?
Au1 P1 C13 C18 -156.6(4) . . . . ?
C7 P1 C13 C14 -93.3(5) . . . . ?
C1 P1 C13 C14 155.2(5) . . . . ?
Au1 P1 C13 C14 25.3(5) . . . . ?
C18 C13 C14 C15 -0.9(9) . . . . ?
P1 C13 C14 C15 177.1(5) . . . . ?
C13 C14 C15 C16 0.4(11) . . . . ?
C14 C15 C16 C17 -0.1(11) . . . . ?
C15 C16 C17 C18 0.4(11) . . . . ?
C16 C17 C18 C13 -0.9(10) . . . . ?
C14 C13 C18 C17 1.2(9) . . . . ?
P1 C13 C18 C17 -176.9(5) . . . . ?
C24 C19 C20 C21 -2.0(7) . . . . ?
Au1 C19 C20 C21 -176.3(3) . . . . ?
C24 C19 C20 C25 176.4(4) . . . . ?
Au1 C19 C20 C25 2.2(6) . . . . ?
C19 C20 C21 F11 179.5(4) . . . . ?
C25 C20 C21 F11 0.9(7) . . . . ?
C19 C20 C21 C22 1.2(7) . . . . ?
C25 C20 C21 C22 -177.4(5) . . . . ?
F11 C21 C22 F12 -1.2(8) . . . . ?
C20 C21 C22 F12 177.1(4) . . . . ?
F11 C21 C22 C23 -178.2(4) . . . . ?
C20 C21 C22 C23 0.1(8) . . . . ?
F12 C22 C23 F13 1.2(8) . . . . ?
C21 C22 C23 F13 178.2(5) . . . . ?
F12 C22 C23 C24 -177.7(5) . . . . ?
C21 C22 C23 C24 -0.7(8) . . . . ?
F13 C23 C24 C19 -179.0(4) . . . . ?
C22 C23 C24 C19 -0.1(8) . . . . ?
F13 C23 C24 C31 -0.4(7) . . . . ?
C22 C23 C24 C31 178.5(5) . . . . ?
C20 C19 C24 C23 1.5(7) . . . . ?
Au1 C19 C24 C23 175.8(3) . . . . ?
C20 C19 C24 C31 -177.0(4) . . . . ?
Au1 C19 C24 C31 -2.7(7) . . . . ?
C21 C20 C25 C30 69.6(6) . . . . ?
C19 C20 C25 C30 -108.9(6) . . . . ?
C21 C20 C25 C26 -101.7(6) . . . . ?
C19 C20 C25 C26 79.8(6) . . . . ?
C30 C25 C26 F1 -175.5(4) . . . . ?
C20 C25 C26 F1 -3.9(7) . . . . ?
C30 C25 C26 C27 2.4(8) . . . . ?
C20 C25 C26 C27 174.0(5) . . . . ?
F1 C26 C27 F2 -0.5(8) . . . . ?
C25 C26 C27 F2 -178.5(5) . . . . ?
F1 C26 C27 C28 176.9(5) . . . . ?
C25 C26 C27 C28 -1.0(9) . . . . ?
F2 C27 C28 F3 -1.4(9) . . . . ?
C26 C27 C28 F3 -178.8(5) . . . . ?
F2 C27 C28 C29 177.4(6) . . . . ?
C26 C27 C28 C29 0.0(9) . . . . ?
F3 C28 C29 F4 0.4(9) . . . . ?
C27 C28 C29 F4 -178.4(5) . . . . ?
F3 C28 C29 C30 178.4(5) . . . . ?
C27 C28 C29 C30 -0.3(9) . . . . ?
F4 C29 C30 F5 0.3(8) . . . . ?
C28 C29 C30 F5 -177.8(5) . . . . ?
F4 C29 C30 C25 179.8(5) . . . . ?
C28 C29 C30 C25 1.8(9) . . . . ?
C26 C25 C30 F5 176.8(4) . . . . ?
C20 C25 C30 F5 5.0(7) . . . . ?
C26 C25 C30 C29 -2.7(8) . . . . ?
C20 C25 C30 C29 -174.6(5) . . . . ?
C23 C24 C31 C32 64.5(7) . . . . ?
C19 C24 C31 C32 -117.0(6) . . . . ?
C23 C24 C31 C36 -109.0(6) . . . . ?
C19 C24 C31 C36 69.5(7) . . . . ?
C36 C31 C32 F6 175.8(4) . . . . ?
C24 C31 C32 F6 1.9(8) . . . . ?
C36 C31 C32 C33 -3.6(8) . . . . ?
C24 C31 C32 C33 -177.5(5) . . . . ?
F6 C32 C33 F7 3.8(8) . . . . ?
C31 C32 C33 F7 -176.8(5) . . . . ?
F6 C32 C33 C34 -177.6(5) . . . . ?
C31 C32 C33 C34 1.8(9) . . . . ?
F7 C33 C34 F8 -1.2(9) . . . . ?
C32 C33 C34 F8 -179.8(5) . . . . ?
F7 C33 C34 C35 179.6(5) . . . . ?
C32 C33 C34 C35 1.0(9) . . . . ?
F8 C34 C35 F9 -2.1(9) . . . . ?
C33 C34 C35 F9 177.2(5) . . . . ?
F8 C34 C35 C36 178.9(5) . . . . ?
C33 C34 C35 C36 -1.8(9) . . . . ?
F9 C35 C36 F10 -2.3(8) . . . . ?
C34 C35 C36 F10 176.7(5) . . . . ?
F9 C35 C36 C31 -179.1(5) . . . . ?
C34 C35 C36 C31 -0.1(9) . . . . ?
C32 C31 C36 F10 -174.0(5) . . . . ?
C24 C31 C36 F10 -0.1(8) . . . . ?
C32 C31 C36 C35 2.7(8) . . . . ?
C24 C31 C36 C35 176.6(5) . . . . ?

_refine_diff_density_max         0.971
_refine_diff_density_min         -1.335
_refine_diff_density_rms         0.156

####################################################################### 
# 
# 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_264ale_sq
_database_code_depnum_ccdc_archive 'CCDC 1981845'
loop_
_audit_author_name
_audit_author_address
'Ciprian I. Rat'
;Babes Bolyai University
Romania
;
_audit_update_record             
;
2020-02-04 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H20 Au Cl2 F10 P'
_chemical_formula_sum            'C37 H20 Au Cl2 F10 P'
_chemical_formula_weight         953.37

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3 :H'
_space_group_name_Hall           '-R 3'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   29.979(5)
_cell_length_b                   29.979(5)
_cell_length_c                   23.525(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     18311(9)
_cell_formula_units_Z            18
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    1769
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      14.5

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_F_000             8280
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.290
_exptl_absorpt_coefficient_mu    3.855
_shelx_estimated_absorpt_T_min   0.322
_shelx_estimated_absorpt_T_max   0.401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.280
_exptl_absorpt_correction_T_max  0.356
_exptl_absorpt_process_details   'Bruker, 2001.'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            60731
_diffrn_reflns_av_unetI/netI     0.1207
_diffrn_reflns_av_R_equivalents  0.1865
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_theta_min         1.168
_diffrn_reflns_theta_max         25.146
_diffrn_reflns_theta_full        25.146
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             7291
_reflns_number_gt                3830
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond (Brandenburg, 2009)'
_computing_publication_material  
;
WinGX publication routines (Farrugia, 1999)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0490P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7291
_refine_ls_number_parameters     461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1290
_refine_ls_R_factor_gt           0.0595
_refine_ls_wR_factor_ref         0.1475
_refine_ls_wR_factor_gt          0.1254
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_restrained_S_all      0.905
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.36213(2) 0.32125(2) 0.54552(2) 0.06613(18) Uani 1 1 d . . . . .
Cl1 Cl 0.39600(11) 0.40032(9) 0.59472(10) 0.0855(8) Uani 1 1 d . . . . .
Cl2 Cl 0.28181(10) 0.31459(10) 0.54431(11) 0.0884(8) Uani 1 1 d . . . . .
P1 P 0.44239(10) 0.32826(10) 0.55580(10) 0.0748(8) Uani 1 1 d . . . . .
F1 F 0.4291(2) 0.2674(3) 0.3804(2) 0.1023(19) Uani 1 1 d . . . . .
F2 F 0.4936(3) 0.3502(3) 0.3214(3) 0.143(3) Uani 1 1 d . . . . .
F3 F 0.4758(2) 0.4301(3) 0.3110(3) 0.132(2) Uani 1 1 d . . . . .
F4 F 0.3919(2) 0.4250(2) 0.3622(2) 0.1078(19) Uani 1 1 d . . . . .
F5 F 0.3281(2) 0.3429(2) 0.4219(2) 0.0842(15) Uani 1 1 d . . . . .
F6 F 0.3541(3) 0.2200(2) 0.6235(2) 0.0935(17) Uani 1 1 d . . . . .
F7 F 0.3176(3) 0.2114(2) 0.7299(2) 0.111(2) Uani 1 1 d . . . . .
F8 F 0.2167(3) 0.1849(3) 0.7464(3) 0.151(3) Uani 1 1 d . . . . .
F9 F 0.1553(3) 0.1665(3) 0.6557(3) 0.142(3) Uani 1 1 d . . . . .
F10 F 0.1926(2) 0.1801(2) 0.5506(3) 0.107(2) Uani 1 1 d . . . . .
C1 C 0.4585(5) 0.2866(5) 0.5133(4) 0.084(3) Uani 1 1 d . . . . .
C2 C 0.4249(5) 0.2338(5) 0.5127(4) 0.088(3) Uani 1 1 d . . . . .
H2 H 0.393080 0.219076 0.530718 0.105 Uiso 1 1 calc R U . . .
C3 C 0.4412(6) 0.2035(5) 0.4835(5) 0.109(4) Uani 1 1 d . . . . .
H3 H 0.420183 0.167887 0.482136 0.130 Uiso 1 1 calc R U . . .
C4 C 0.4877(7) 0.2265(9) 0.4573(6) 0.144(7) Uani 1 1 d . . . . .
H4 H 0.497448 0.205878 0.437462 0.172 Uiso 1 1 calc R U . . .
C5 C 0.5200(7) 0.2766(8) 0.4586(7) 0.157(8) Uani 1 1 d . . . . .
H5 H 0.552170 0.290431 0.441556 0.189 Uiso 1 1 calc R U . . .
C6 C 0.5056(5) 0.3083(5) 0.4855(5) 0.110(4) Uani 1 1 d . . . . .
H6 H 0.527228 0.343829 0.484972 0.132 Uiso 1 1 calc R U . . .
C7 C 0.4520(4) 0.3148(4) 0.6285(4) 0.080(3) Uani 1 1 d . . . . .
C8 C 0.4303(4) 0.3255(4) 0.6735(4) 0.083(3) Uani 1 1 d . . . . .
H8 H 0.408388 0.338549 0.667024 0.100 Uiso 1 1 calc R U . . .
C9 C 0.4404(5) 0.3170(4) 0.7301(4) 0.098(4) Uani 1 1 d . . . . .
H9 H 0.424901 0.324147 0.760320 0.118 Uiso 1 1 calc R U . . .
C10 C 0.4722(5) 0.2988(4) 0.7402(5) 0.104(4) Uani 1 1 d . . . . .
H10 H 0.478962 0.293197 0.777237 0.125 Uiso 1 1 calc R U . . .
C11 C 0.4955(5) 0.2882(4) 0.6939(5) 0.108(4) Uani 1 1 d . . . . .
H11 H 0.517690 0.275608 0.700674 0.130 Uiso 1 1 calc R U . . .
C12 C 0.4853(4) 0.2966(4) 0.6378(5) 0.100(3) Uani 1 1 d . . . . .
H12 H 0.500874 0.289863 0.607449 0.120 Uiso 1 1 calc R U . . .
C13 C 0.4919(4) 0.3920(4) 0.5377(4) 0.081(3) Uani 1 1 d . . . . .
C14 C 0.4886(4) 0.4158(5) 0.4890(5) 0.107(4) Uani 1 1 d . . . . .
H14 H 0.458807 0.399279 0.467029 0.129 Uiso 1 1 calc R U . . .
C15 C 0.5274(6) 0.4626(6) 0.4720(6) 0.130(5) Uani 1 1 d . . . . .
H15 H 0.524511 0.476721 0.438028 0.156 Uiso 1 1 calc R U . . .
C16 C 0.5711(6) 0.4892(5) 0.5047(6) 0.129(5) Uani 1 1 d . . . . .
H16 H 0.597465 0.521404 0.493496 0.155 Uiso 1 1 calc R U . . .
C17 C 0.5747(5) 0.4670(5) 0.5543(7) 0.138(5) Uani 1 1 d . . . . .
H17 H 0.604066 0.484390 0.576628 0.166 Uiso 1 1 calc R U . . .
C18 C 0.5355(5) 0.4191(5) 0.5716(5) 0.111(4) Uani 1 1 d . . . . .
H18 H 0.538281 0.405151 0.605851 0.133 Uiso 1 1 calc R U . . .
C19 C 0.3295(3) 0.2549(3) 0.4995(3) 0.061(2) Uani 1 1 d . . . . .
C20 C 0.3415(4) 0.2555(3) 0.4408(3) 0.062(2) Uani 1 1 d . . . . .
C21 C 0.3181(4) 0.2094(4) 0.4093(4) 0.068(3) Uani 1 1 d . . . . .
H21 H 0.326928 0.210113 0.371229 0.081 Uiso 1 1 calc R U . . .
C22 C 0.2831(4) 0.1638(4) 0.4330(4) 0.079(3) Uani 1 1 d . . . . .
C23 C 0.2726(4) 0.1624(4) 0.4898(4) 0.077(3) Uani 1 1 d . . . . .
H23 H 0.250920 0.130822 0.506891 0.093 Uiso 1 1 calc R U . . .
C24 C 0.2938(4) 0.2075(4) 0.5231(3) 0.063(2) Uani 1 1 d . . . . .
C25 C 0.3784(4) 0.3039(4) 0.4080(4) 0.066(2) Uani 1 1 d . . . . .
C26 C 0.4197(4) 0.3058(5) 0.3785(4) 0.082(3) Uani 1 1 d . . . . .
C27 C 0.4535(5) 0.3485(5) 0.3475(5) 0.097(4) Uani 1 1 d . . . . .
C28 C 0.4449(5) 0.3886(5) 0.3413(4) 0.099(4) Uani 1 1 d . . . . .
C29 C 0.4026(5) 0.3863(4) 0.3680(4) 0.084(3) Uani 1 1 d . . . . .
C30 C 0.3707(4) 0.3450(5) 0.3990(4) 0.074(3) Uani 1 1 d . . . . .
C31 C 0.2758(4) 0.2031(3) 0.5833(4) 0.070(3) Uani 1 1 d . . . . .
C32 C 0.3046(5) 0.2093(4) 0.6299(4) 0.079(3) Uani 1 1 d . . . . .
C33 C 0.2861(6) 0.2039(4) 0.6853(4) 0.087(3) Uani 1 1 d . . . . .
C34 C 0.2368(7) 0.1912(5) 0.6938(5) 0.106(4) Uani 1 1 d . . . . .
C35 C 0.2049(5) 0.1820(4) 0.6481(5) 0.095(4) Uani 1 1 d . . . . .
C36 C 0.2258(5) 0.1885(4) 0.5943(4) 0.082(3) Uani 1 1 d . . . . .
C37 C 0.2578(4) 0.1150(4) 0.3982(4) 0.098(3) Uani 1 1 d . . . . .
H37A H 0.222687 0.105439 0.390697 0.148 Uiso 1 1 calc R U . . .
H37B H 0.258718 0.087842 0.418975 0.148 Uiso 1 1 calc R U . . .
H37C H 0.275951 0.120538 0.362964 0.148 Uiso 1 1 calc R U . . .


_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 C19 2.034(8) . ?
Au1 Cl2 2.315(3) . ?
Au1 P1 2.321(3) . ?
Au1 Cl1 2.363(2) . ?
P1 C13 1.788(10) . ?
P1 C7 1.812(10) . ?
P1 C1 1.843(11) . ?
F1 C26 1.316(11) . ?
F2 C27 1.329(12) . ?
F3 C28 1.328(11) . ?
F4 C29 1.359(11) . ?
F5 C30 1.360(10) . ?
F6 C32 1.359(11) . ?
F7 C33 1.355(12) . ?
F8 C34 1.346(12) . ?
F9 C35 1.328(12) . ?
F10 C36 1.365(11) . ?
C1 C6 1.387(14) . ?
C1 C2 1.390(14) . ?
C2 C3 1.406(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(18) . ?
C3 H3 0.9300 . ?
C4 C5 1.32(2) . ?
C4 H4 0.9300 . ?
C5 C6 1.377(17) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.363(12) . ?
C7 C12 1.375(13) . ?
C8 C9 1.416(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.335(14) . ?
C9 H9 0.9300 . ?
C10 C11 1.411(15) . ?
C10 H10 0.9300 . ?
C11 C12 1.405(13) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.380(13) . ?
C13 C18 1.395(14) . ?
C14 C15 1.360(15) . ?
C14 H14 0.9300 . ?
C15 C16 1.377(16) . ?
C15 H15 0.9300 . ?
C16 C17 1.374(16) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(15) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.398(11) . ?
C19 C20 1.426(11) . ?
C20 C21 1.409(11) . ?
C20 C25 1.521(12) . ?
C21 C22 1.359(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.369(12) . ?
C22 C37 1.507(12) . ?
C23 C24 1.409(11) . ?
C23 H23 0.9300 . ?
C24 C31 1.499(12) . ?
C25 C30 1.381(13) . ?
C25 C26 1.395(13) . ?
C26 C27 1.378(15) . ?
C27 C28 1.356(15) . ?
C28 C29 1.386(15) . ?
C29 C30 1.338(13) . ?
C31 C32 1.350(13) . ?
C31 C36 1.360(13) . ?
C32 C33 1.394(13) . ?
C33 C34 1.344(15) . ?
C34 C35 1.373(16) . ?
C35 C36 1.381(14) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?

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
C19 Au1 Cl2 86.4(3) . . ?
C19 Au1 P1 96.6(2) . . ?
Cl2 Au1 P1 174.72(9) . . ?
C19 Au1 Cl1 175.4(2) . . ?
Cl2 Au1 Cl1 89.96(9) . . ?
P1 Au1 Cl1 87.25(10) . . ?
C13 P1 C7 108.8(5) . . ?
C13 P1 C1 103.6(5) . . ?
C7 P1 C1 103.7(5) . . ?
C13 P1 Au1 110.0(4) . . ?
C7 P1 Au1 110.5(4) . . ?
C1 P1 Au1 119.6(4) . . ?
C6 C1 C2 121.1(11) . . ?
C6 C1 P1 119.3(10) . . ?
C2 C1 P1 119.5(9) . . ?
C1 C2 C3 117.0(12) . . ?
C1 C2 H2 121.5 . . ?
C3 C2 H2 121.5 . . ?
C4 C3 C2 119.6(14) . . ?
C4 C3 H3 120.2 . . ?
C2 C3 H3 120.2 . . ?
C5 C4 C3 123.4(17) . . ?
C5 C4 H4 118.3 . . ?
C3 C4 H4 118.3 . . ?
C4 C5 C6 119.5(18) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C5 C6 C1 119.3(14) . . ?
C5 C6 H6 120.3 . . ?
C1 C6 H6 120.3 . . ?
C8 C7 C12 119.6(10) . . ?
C8 C7 P1 122.3(8) . . ?
C12 C7 P1 117.9(8) . . ?
C7 C8 C9 121.3(10) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C10 C9 C8 120.0(11) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 119.4(11) . . ?
C9 C10 H10 120.3 . . ?
C11 C10 H10 120.3 . . ?
C12 C11 C10 120.5(12) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C7 C12 C11 119.2(11) . . ?
C7 C12 H12 120.4 . . ?
C11 C12 H12 120.4 . . ?
C14 C13 C18 117.6(10) . . ?
C14 C13 P1 120.9(9) . . ?
C18 C13 P1 121.5(9) . . ?
C15 C14 C13 122.0(11) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C14 C15 C16 120.7(13) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C17 C16 C15 118.4(13) . . ?
C17 C16 H16 120.8 . . ?
C15 C16 H16 120.8 . . ?
C16 C17 C18 121.4(13) . . ?
C16 C17 H17 119.3 . . ?
C18 C17 H17 119.3 . . ?
C17 C18 C13 119.8(11) . . ?
C17 C18 H18 120.1 . . ?
C13 C18 H18 120.1 . . ?
C24 C19 C20 117.2(8) . . ?
C24 C19 Au1 122.2(6) . . ?
C20 C19 Au1 120.6(6) . . ?
C21 C20 C19 119.9(8) . . ?
C21 C20 C25 115.9(7) . . ?
C19 C20 C25 124.1(8) . . ?
C22 C21 C20 121.8(8) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C21 C22 C23 118.7(9) . . ?
C21 C22 C37 121.0(9) . . ?
C23 C22 C37 120.2(10) . . ?
C22 C23 C24 121.8(9) . . ?
C22 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
C19 C24 C23 120.3(8) . . ?
C19 C24 C31 121.5(8) . . ?
C23 C24 C31 118.2(8) . . ?
C30 C25 C26 115.4(9) . . ?
C30 C25 C20 124.2(9) . . ?
C26 C25 C20 119.9(9) . . ?
F1 C26 C27 116.8(11) . . ?
F1 C26 C25 121.4(10) . . ?
C27 C26 C25 121.8(11) . . ?
F2 C27 C28 119.0(12) . . ?
F2 C27 C26 120.7(12) . . ?
C28 C27 C26 120.2(12) . . ?
F3 C28 C27 122.5(13) . . ?
F3 C28 C29 118.7(13) . . ?
C27 C28 C29 118.7(11) . . ?
C30 C29 F4 118.6(11) . . ?
C30 C29 C28 120.4(11) . . ?
F4 C29 C28 120.9(11) . . ?
C29 C30 F5 118.7(11) . . ?
C29 C30 C25 123.2(10) . . ?
F5 C30 C25 118.1(10) . . ?
C32 C31 C36 114.6(10) . . ?
C32 C31 C24 125.4(10) . . ?
C36 C31 C24 119.9(10) . . ?
C31 C32 F6 119.3(9) . . ?
C31 C32 C33 123.5(12) . . ?
F6 C32 C33 117.1(11) . . ?
C34 C33 F7 120.7(11) . . ?
C34 C33 C32 119.4(12) . . ?
F7 C33 C32 119.9(12) . . ?
C33 C34 F8 121.8(13) . . ?
C33 C34 C35 119.8(12) . . ?
F8 C34 C35 118.3(13) . . ?
F9 C35 C34 120.6(11) . . ?
F9 C35 C36 121.5(13) . . ?
C34 C35 C36 117.9(12) . . ?
C31 C36 F10 120.1(10) . . ?
C31 C36 C35 124.7(11) . . ?
F10 C36 C35 115.2(11) . . ?
C22 C37 H37A 109.5 . . ?
C22 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C22 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 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
C13 P1 C1 C6 10.3(9) . . . . ?
C7 P1 C1 C6 -103.3(9) . . . . ?
Au1 P1 C1 C6 133.1(8) . . . . ?
C13 P1 C1 C2 -173.9(8) . . . . ?
C7 P1 C1 C2 72.5(9) . . . . ?
Au1 P1 C1 C2 -51.2(8) . . . . ?
C6 C1 C2 C3 1.0(14) . . . . ?
P1 C1 C2 C3 -174.7(7) . . . . ?
C1 C2 C3 C4 -0.5(16) . . . . ?
C2 C3 C4 C5 2(2) . . . . ?
C3 C4 C5 C6 -3(3) . . . . ?
C4 C5 C6 C1 3(2) . . . . ?
C2 C1 C6 C5 -2.4(17) . . . . ?
P1 C1 C6 C5 173.3(10) . . . . ?
C13 P1 C7 C8 90.1(10) . . . . ?
C1 P1 C7 C8 -160.1(9) . . . . ?
Au1 P1 C7 C8 -30.8(10) . . . . ?
C13 P1 C7 C12 -85.3(10) . . . . ?
C1 P1 C7 C12 24.4(10) . . . . ?
Au1 P1 C7 C12 153.8(8) . . . . ?
C12 C7 C8 C9 -1.4(17) . . . . ?
P1 C7 C8 C9 -176.8(8) . . . . ?
C7 C8 C9 C10 0.8(17) . . . . ?
C8 C9 C10 C11 0.0(18) . . . . ?
C9 C10 C11 C12 -0.1(19) . . . . ?
C8 C7 C12 C11 1.3(17) . . . . ?
P1 C7 C12 C11 176.9(8) . . . . ?
C10 C11 C12 C7 -0.6(18) . . . . ?
C7 P1 C13 C14 -167.7(9) . . . . ?
C1 P1 C13 C14 82.4(10) . . . . ?
Au1 P1 C13 C14 -46.5(10) . . . . ?
C7 P1 C13 C18 13.2(11) . . . . ?
C1 P1 C13 C18 -96.7(10) . . . . ?
Au1 P1 C13 C18 134.4(9) . . . . ?
C18 C13 C14 C15 4.2(19) . . . . ?
P1 C13 C14 C15 -175.0(11) . . . . ?
C13 C14 C15 C16 -3(2) . . . . ?
C14 C15 C16 C17 1(2) . . . . ?
C15 C16 C17 C18 0(2) . . . . ?
C16 C17 C18 C13 2(2) . . . . ?
C14 C13 C18 C17 -3.5(18) . . . . ?
P1 C13 C18 C17 175.6(10) . . . . ?
C24 C19 C20 C21 -0.7(13) . . . . ?
Au1 C19 C20 C21 -179.3(6) . . . . ?
C24 C19 C20 C25 178.4(8) . . . . ?
Au1 C19 C20 C25 -0.1(12) . . . . ?
C19 C20 C21 C22 1.5(14) . . . . ?
C25 C20 C21 C22 -177.7(9) . . . . ?
C20 C21 C22 C23 -3.8(15) . . . . ?
C20 C21 C22 C37 178.9(9) . . . . ?
C21 C22 C23 C24 5.4(15) . . . . ?
C37 C22 C23 C24 -177.2(9) . . . . ?
C20 C19 C24 C23 2.3(13) . . . . ?
Au1 C19 C24 C23 -179.2(6) . . . . ?
C20 C19 C24 C31 -176.0(8) . . . . ?
Au1 C19 C24 C31 2.5(12) . . . . ?
C22 C23 C24 C19 -4.8(14) . . . . ?
C22 C23 C24 C31 173.5(9) . . . . ?
C21 C20 C25 C30 116.1(10) . . . . ?
C19 C20 C25 C30 -63.0(12) . . . . ?
C21 C20 C25 C26 -55.2(11) . . . . ?
C19 C20 C25 C26 125.6(10) . . . . ?
C30 C25 C26 F1 -175.5(8) . . . . ?
C20 C25 C26 F1 -3.4(13) . . . . ?
C30 C25 C26 C27 6.8(14) . . . . ?
C20 C25 C26 C27 178.9(9) . . . . ?
F1 C26 C27 F2 -0.4(15) . . . . ?
C25 C26 C27 F2 177.4(9) . . . . ?
F1 C26 C27 C28 176.9(10) . . . . ?
C25 C26 C27 C28 -5.2(17) . . . . ?
F2 C27 C28 F3 -1.3(18) . . . . ?
C26 C27 C28 F3 -178.7(10) . . . . ?
F2 C27 C28 C29 179.2(10) . . . . ?
C26 C27 C28 C29 1.8(17) . . . . ?
F3 C28 C29 C30 -179.9(9) . . . . ?
C27 C28 C29 C30 -0.4(17) . . . . ?
F3 C28 C29 F4 1.8(16) . . . . ?
C27 C28 C29 F4 -178.7(10) . . . . ?
F4 C29 C30 F5 2.0(14) . . . . ?
C28 C29 C30 F5 -176.4(9) . . . . ?
F4 C29 C30 C25 -179.3(8) . . . . ?
C28 C29 C30 C25 2.3(16) . . . . ?
C26 C25 C30 C29 -5.4(14) . . . . ?
C20 C25 C30 C29 -177.1(9) . . . . ?
C26 C25 C30 F5 173.4(8) . . . . ?
C20 C25 C30 F5 1.6(13) . . . . ?
C19 C24 C31 C32 -70.5(13) . . . . ?
C23 C24 C31 C32 111.2(11) . . . . ?
C19 C24 C31 C36 114.2(11) . . . . ?
C23 C24 C31 C36 -64.1(12) . . . . ?
C36 C31 C32 F6 175.0(8) . . . . ?
C24 C31 C32 F6 -0.6(15) . . . . ?
C36 C31 C32 C33 -3.1(15) . . . . ?
C24 C31 C32 C33 -178.6(9) . . . . ?
C31 C32 C33 C34 0.9(16) . . . . ?
F6 C32 C33 C34 -177.2(10) . . . . ?
C31 C32 C33 F7 -179.2(9) . . . . ?
F6 C32 C33 F7 2.7(14) . . . . ?
F7 C33 C34 F8 -0.7(18) . . . . ?
C32 C33 C34 F8 179.2(10) . . . . ?
F7 C33 C34 C35 -177.6(10) . . . . ?
C32 C33 C34 C35 2.3(18) . . . . ?
C33 C34 C35 F9 176.1(10) . . . . ?
F8 C34 C35 F9 -0.9(18) . . . . ?
C33 C34 C35 C36 -2.9(18) . . . . ?
F8 C34 C35 C36 -180.0(10) . . . . ?
C32 C31 C36 F10 -178.8(8) . . . . ?
C24 C31 C36 F10 -3.0(14) . . . . ?
C32 C31 C36 C35 2.4(15) . . . . ?
C24 C31 C36 C35 178.2(9) . . . . ?
F9 C35 C36 C31 -178.5(10) . . . . ?
C34 C35 C36 C31 0.5(17) . . . . ?
F9 C35 C36 F10 2.7(15) . . . . ?
C34 C35 C36 F10 -178.3(10) . . . . ?

_refine_diff_density_max         2.137
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.130



####################################################################### 
# 
# 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_292alb
_database_code_depnum_ccdc_archive 'CCDC 1985133'
loop_
_audit_author_name
_audit_author_address
'Ciprian I. Rat'
;Babes Bolyai University
Romania
;
_audit_update_record             
;
2020-02-04 deposited with the CCDC.	2020-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H17 Au F15 P'
_chemical_formula_sum            'C42 H17 Au F15 P'
_chemical_formula_weight         1034.49

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   22.855(6)
_cell_length_b                   18.306(5)
_cell_length_c                   18.508(5)
_cell_angle_alpha                90
_cell_angle_beta                 107.093(5)
_cell_angle_gamma                90
_cell_volume                     7402(4)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    8990
_cell_measurement_theta_min      2.22
_cell_measurement_theta_max      22.33

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.857
_exptl_crystal_F_000             3984
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.390
_exptl_crystal_size_min          0.340
_exptl_absorpt_coefficient_mu    4.126
_shelx_estimated_absorpt_T_min   0.276
_shelx_estimated_absorpt_T_max   0.334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.276
_exptl_absorpt_correction_T_max  0.334
_exptl_absorpt_process_details   'Bruker, 2001.'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35305
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.451
_diffrn_reflns_theta_max         25.146
_diffrn_reflns_theta_full        25.146
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6634
_reflns_number_gt                4920
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Diamond (Brandenburg, 2009)'
_computing_publication_material  
;
WinGX publication routines (Farrugia, 1999)
;
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0454P)²+16.0394P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6634
_refine_ls_number_parameters     532
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0593
_refine_ls_wR_factor_ref         0.1164
_refine_ls_wR_factor_gt          0.1069
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.094
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.34658(2) 0.67030(2) 0.21465(2) 0.05690(14) Uani 1 1 d . . . . .
P1 P 0.32406(10) 0.54908(11) 0.20838(12) 0.0560(5) Uani 1 1 d . . . . .
F1 F 0.2963(3) 0.8207(3) 0.0315(3) 0.1041(19) Uani 1 1 d . . . . .
F2 F 0.3049(3) 0.7484(4) -0.0910(3) 0.126(2) Uani 1 1 d . . . . .
F3 F 0.4048(4) 0.6675(3) -0.0848(4) 0.130(3) Uani 1 1 d . . . . .
F4 F 0.4961(3) 0.6579(4) 0.0464(4) 0.134(3) Uani 1 1 d . . . . .
F5 F 0.4882(3) 0.7310(4) 0.1683(4) 0.123(2) Uani 1 1 d . . . . .
F6 F 0.2464(3) 0.7554(4) 0.2777(4) 0.111(2) Uani 1 1 d . . . . .
F7 F 0.2251(4) 0.6820(4) 0.3955(6) 0.173(4) Uani 1 1 d . . . . .
F8 F 0.3090(4) 0.6754(4) 0.5305(4) 0.156(3) Uani 1 1 d . . . . .
F9 F 0.4188(4) 0.7371(4) 0.5493(3) 0.137(3) Uani 1 1 d . . . . .
F10 F 0.4434(3) 0.8058(3) 0.4353(3) 0.0931(17) Uani 1 1 d . . . . .
F11 F 0.3646(3) 1.0453(3) 0.1446(3) 0.123(2) Uani 1 1 d . . . . .
F12 F 0.3948(4) 1.1842(3) 0.1799(5) 0.176(4) Uani 1 1 d . . . . .
F13 F 0.4647(4) 1.2202(3) 0.3184(5) 0.164(3) Uani 1 1 d . . . . .
F14 F 0.5090(3) 1.1138(4) 0.4228(4) 0.141(3) Uani 1 1 d . . . . .
F15 F 0.4830(2) 0.9759(3) 0.3879(3) 0.0909(16) Uani 1 1 d . . . . .
C1 C 0.2528(4) 0.5273(4) 0.1369(4) 0.055(2) Uani 1 1 d . . . . .
C2 C 0.2053(4) 0.5751(5) 0.1283(5) 0.076(3) Uani 1 1 d . . . . .
H2 H 0.210435 0.616495 0.158693 0.091 Uiso 1 1 calc R U . . .
C3 C 0.1499(5) 0.5624(7) 0.0749(7) 0.095(3) Uani 1 1 d . . . . .
H3 H 0.117734 0.595106 0.069718 0.114 Uiso 1 1 calc R U . . .
C4 C 0.1418(5) 0.5021(7) 0.0295(6) 0.091(3) Uani 1 1 d . . . . .
H4 H 0.104685 0.494432 -0.007353 0.109 Uiso 1 1 calc R U . . .
C5 C 0.1880(6) 0.4538(6) 0.0382(5) 0.090(3) Uani 1 1 d . . . . .
H5 H 0.182267 0.411731 0.008789 0.107 Uiso 1 1 calc R U . . .
C6 C 0.2439(5) 0.4670(5) 0.0913(5) 0.074(3) Uani 1 1 d . . . . .
H6 H 0.275993 0.434345 0.096033 0.089 Uiso 1 1 calc R U . . .
C7 C 0.3157(4) 0.5140(5) 0.2961(5) 0.066(2) Uani 1 1 d . . . . .
C8 C 0.3518(6) 0.5425(5) 0.3633(6) 0.099(3) Uani 1 1 d . . . . .
H8 H 0.379886 0.579043 0.362470 0.119 Uiso 1 1 calc R U . . .
C9 C 0.3471(7) 0.5175(7) 0.4321(6) 0.125(5) Uani 1 1 d . . . . .
H9 H 0.372416 0.536083 0.477266 0.150 Uiso 1 1 calc R U . . .
C10 C 0.3048(7) 0.4655(7) 0.4322(7) 0.115(4) Uani 1 1 d . . . . .
H10 H 0.300652 0.449169 0.477990 0.138 Uiso 1 1 calc R U . . .
C11 C 0.2687(6) 0.4368(7) 0.3670(7) 0.118(4) Uani 1 1 d . . . . .
H11 H 0.240727 0.400297 0.368073 0.141 Uiso 1 1 calc R U . . .
C12 C 0.2736(5) 0.4621(6) 0.2992(6) 0.090(3) Uani 1 1 d . . . . .
H12 H 0.247786 0.443457 0.254384 0.108 Uiso 1 1 calc R U . . .
C13 C 0.3810(4) 0.4921(5) 0.1859(5) 0.062(2) Uani 1 1 d . . . . .
C14 C 0.4201(5) 0.5240(6) 0.1530(6) 0.087(3) Uani 1 1 d . . . . .
H14 H 0.418211 0.574108 0.144345 0.105 Uiso 1 1 calc R U . . .
C15 C 0.4634(5) 0.4818(8) 0.1320(7) 0.112(4) Uani 1 1 d . . . . .
H15 H 0.489686 0.503771 0.108577 0.135 Uiso 1 1 calc R U . . .
C16 C 0.4671(6) 0.4100(8) 0.1452(7) 0.108(4) Uani 1 1 d . . . . .
H16 H 0.495706 0.382119 0.130657 0.130 Uiso 1 1 calc R U . . .
C17 C 0.4298(6) 0.3783(6) 0.1795(7) 0.104(4) Uani 1 1 d . . . . .
H17 H 0.432679 0.328282 0.188442 0.124 Uiso 1 1 calc R U . . .
C18 C 0.3870(5) 0.4187(5) 0.2018(5) 0.082(3) Uani 1 1 d . . . . .
H18 H 0.362490 0.396282 0.227489 0.099 Uiso 1 1 calc R U . . .
C19 C 0.3670(3) 0.7787(4) 0.2258(4) 0.0478(18) Uani 1 1 d . . . . .
C20 C 0.3878(4) 0.8178(4) 0.1735(4) 0.060(2) Uani 1 1 d . . . . .
C21 C 0.4051(4) 0.8906(5) 0.1839(5) 0.066(2) Uani 1 1 d . . . . .
H21 H 0.418788 0.914782 0.147735 0.079 Uiso 1 1 calc R U . . .
C22 C 0.4021(4) 0.9273(4) 0.2485(5) 0.057(2) Uani 1 1 d . . . . .
C23 C 0.3806(3) 0.8901(4) 0.3001(4) 0.0510(19) Uani 1 1 d . . . . .
H23 H 0.377715 0.914478 0.343059 0.061 Uiso 1 1 calc R U . . .
C24 C 0.3632(3) 0.8175(4) 0.2900(4) 0.0494(18) Uani 1 1 d . . . . .
C25 C 0.3923(4) 0.7789(5) 0.1037(5) 0.065(2) Uani 1 1 d . . . . .
C26 C 0.3472(5) 0.7810(5) 0.0368(5) 0.073(3) Uani 1 1 d . . . . .
C27 C 0.3498(6) 0.7444(6) -0.0265(6) 0.086(3) Uani 1 1 d . . . . .
C28 C 0.4005(6) 0.7043(6) -0.0227(6) 0.086(3) Uani 1 1 d . . . . .
C29 C 0.4461(6) 0.6994(6) 0.0433(7) 0.088(3) Uani 1 1 d . . . . .
C30 C 0.4422(5) 0.7380(6) 0.1055(6) 0.086(3) Uani 1 1 d . . . . .
C31 C 0.3465(4) 0.7810(4) 0.3520(5) 0.057(2) Uani 1 1 d . . . . .
C32 C 0.2916(5) 0.7508(5) 0.3447(7) 0.082(3) Uani 1 1 d . . . . .
C33 C 0.2785(6) 0.7139(6) 0.4051(9) 0.102(4) Uani 1 1 d . . . . .
C34 C 0.3220(7) 0.7103(6) 0.4731(8) 0.098(4) Uani 1 1 d . . . . .
C35 C 0.3757(7) 0.7404(5) 0.4816(6) 0.092(3) Uani 1 1 d . . . . .
C36 C 0.3884(5) 0.7754(4) 0.4234(5) 0.067(2) Uani 1 1 d . . . . .
C37 C 0.4211(4) 1.0059(4) 0.2646(5) 0.064(2) Uani 1 1 d . . . . .
C38 C 0.4001(5) 1.0599(5) 0.2137(5) 0.085(3) Uani 1 1 d . . . . .
C39 C 0.4138(5) 1.1326(6) 0.2314(7) 0.103(4) Uani 1 1 d . . . . .
C40 C 0.4504(6) 1.1499(5) 0.3012(7) 0.104(4) Uani 1 1 d . . . . .
C41 C 0.4738(5) 1.0978(6) 0.3536(6) 0.094(3) Uani 1 1 d . . . . .
C42 C 0.4579(4) 1.0250(5) 0.3342(5) 0.071(3) 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 C19 2.036(7) . ?
Au1 P1 2.273(2) . ?
P1 C7 1.808(9) . ?
P1 C13 1.810(9) . ?
P1 C1 1.815(8) . ?
F1 C26 1.350(11) . ?
F2 C27 1.328(11) . ?
F3 C28 1.361(11) . ?
F4 C29 1.359(12) . ?
F5 C30 1.325(11) . ?
F6 C32 1.364(11) . ?
F7 C33 1.317(13) . ?
F8 C34 1.345(12) . ?
F9 C35 1.349(12) . ?
F10 C36 1.332(10) . ?
F11 C38 1.324(10) . ?
F12 C39 1.321(11) . ?
F13 C40 1.343(11) . ?
F14 C41 1.330(11) . ?
F15 C42 1.337(9) . ?
C1 C6 1.367(10) . ?
C1 C2 1.367(11) . ?
C2 C3 1.379(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.367(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.350(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(13) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.364(12) . ?
C7 C8 1.377(12) . ?
C8 C9 1.387(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.358(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.351(16) . ?
C10 H10 0.9300 . ?
C11 C12 1.373(13) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.353(12) . ?
C13 C18 1.374(11) . ?
C14 C15 1.397(14) . ?
C14 H14 0.9300 . ?
C15 C16 1.334(15) . ?
C15 H15 0.9300 . ?
C16 C17 1.335(16) . ?
C16 H16 0.9300 . ?
C17 C18 1.382(14) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.396(10) . ?
C19 C24 1.408(9) . ?
C20 C21 1.387(10) . ?
C20 C25 1.503(11) . ?
C21 C22 1.391(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.377(10) . ?
C22 C37 1.506(10) . ?
C23 C24 1.385(9) . ?
C23 H23 0.9300 . ?
C24 C31 1.473(10) . ?
C25 C30 1.357(13) . ?
C25 C26 1.360(12) . ?
C26 C27 1.366(12) . ?
C27 C28 1.356(14) . ?
C28 C29 1.355(14) . ?
C29 C30 1.377(13) . ?
C31 C32 1.339(12) . ?
C31 C36 1.389(11) . ?
C32 C33 1.412(15) . ?
C33 C34 1.357(16) . ?
C34 C35 1.311(15) . ?
C35 C36 1.356(13) . ?
C37 C38 1.353(12) . ?
C37 C42 1.361(11) . ?
C38 C39 1.383(13) . ?
C39 C40 1.354(14) . ?
C40 C41 1.353(14) . ?
C41 C42 1.400(12) . ?

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
C19 Au1 P1 177.1(2) . . ?
C7 P1 C13 106.0(4) . . ?
C7 P1 C1 105.5(4) . . ?
C13 P1 C1 105.0(4) . . ?
C7 P1 Au1 112.5(3) . . ?
C13 P1 Au1 114.0(3) . . ?
C1 P1 Au1 113.1(3) . . ?
C6 C1 C2 118.5(8) . . ?
C6 C1 P1 124.4(7) . . ?
C2 C1 P1 117.1(6) . . ?
C1 C2 C3 120.4(10) . . ?
C1 C2 H2 119.8 . . ?
C3 C2 H2 119.8 . . ?
C4 C3 C2 120.4(10) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C5 C4 C3 119.8(10) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 119.8(10) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 121.1(10) . . ?
C1 C6 H6 119.4 . . ?
C5 C6 H6 119.4 . . ?
C12 C7 C8 118.0(9) . . ?
C12 C7 P1 123.1(7) . . ?
C8 C7 P1 118.9(8) . . ?
C7 C8 C9 121.1(11) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C10 C9 C8 118.7(11) . . ?
C10 C9 H9 120.7 . . ?
C8 C9 H9 120.7 . . ?
C11 C10 C9 121.3(11) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C10 C11 C12 119.5(12) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C7 C12 C11 121.4(11) . . ?
C7 C12 H12 119.3 . . ?
C11 C12 H12 119.3 . . ?
C14 C13 C18 118.8(9) . . ?
C14 C13 P1 118.0(7) . . ?
C18 C13 P1 123.2(8) . . ?
C13 C14 C15 120.1(11) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.4(12) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.0(12) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C18 121.1(12) . . ?
C16 C17 H17 119.5 . . ?
C18 C17 H17 119.5 . . ?
C13 C18 C17 119.6(11) . . ?
C13 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C24 116.5(6) . . ?
C20 C19 Au1 122.9(5) . . ?
C24 C19 Au1 120.5(5) . . ?
C21 C20 C19 122.5(7) . . ?
C21 C20 C25 119.1(7) . . ?
C19 C20 C25 118.5(7) . . ?
C20 C21 C22 120.0(7) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 118.4(7) . . ?
C23 C22 C37 118.4(7) . . ?
C21 C22 C37 123.2(7) . . ?
C22 C23 C24 121.9(7) . . ?
C22 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
C23 C24 C19 120.7(7) . . ?
C23 C24 C31 117.4(7) . . ?
C19 C24 C31 121.6(6) . . ?
C30 C25 C26 116.4(9) . . ?
C30 C25 C20 120.6(9) . . ?
C26 C25 C20 123.0(9) . . ?
F1 C26 C25 119.2(8) . . ?
F1 C26 C27 117.1(10) . . ?
C25 C26 C27 123.7(10) . . ?
F2 C27 C28 120.0(10) . . ?
F2 C27 C26 121.8(11) . . ?
C28 C27 C26 118.2(11) . . ?
C29 C28 C27 120.1(10) . . ?
C29 C28 F3 120.1(11) . . ?
C27 C28 F3 119.8(11) . . ?
C28 C29 F4 119.3(10) . . ?
C28 C29 C30 119.9(11) . . ?
F4 C29 C30 120.8(12) . . ?
F5 C30 C25 121.3(9) . . ?
F5 C30 C29 117.0(11) . . ?
C25 C30 C29 121.6(11) . . ?
C32 C31 C36 115.4(9) . . ?
C32 C31 C24 123.9(9) . . ?
C36 C31 C24 120.7(8) . . ?
C31 C32 F6 120.2(9) . . ?
C31 C32 C33 121.8(11) . . ?
F6 C32 C33 118.0(10) . . ?
F7 C33 C34 120.1(13) . . ?
F7 C33 C32 120.7(13) . . ?
C34 C33 C32 119.3(11) . . ?
C35 C34 F8 121.4(14) . . ?
C35 C34 C33 119.7(11) . . ?
F8 C34 C33 118.9(13) . . ?
C34 C35 F9 119.7(11) . . ?
C34 C35 C36 121.0(11) . . ?
F9 C35 C36 119.3(12) . . ?
F10 C36 C35 118.6(10) . . ?
F10 C36 C31 118.6(8) . . ?
C35 C36 C31 122.8(10) . . ?
C38 C37 C42 117.7(8) . . ?
C38 C37 C22 122.5(8) . . ?
C42 C37 C22 119.6(7) . . ?
F11 C38 C37 121.0(9) . . ?
F11 C38 C39 117.1(9) . . ?
C37 C38 C39 121.9(9) . . ?
F12 C39 C40 120.1(10) . . ?
F12 C39 C38 120.9(11) . . ?
C40 C39 C38 118.9(10) . . ?
F13 C40 C41 119.2(10) . . ?
F13 C40 C39 119.3(10) . . ?
C41 C40 C39 121.5(10) . . ?
F14 C41 C40 122.3(10) . . ?
F14 C41 C42 119.6(10) . . ?
C40 C41 C42 118.0(9) . . ?
F15 C42 C37 122.8(8) . . ?
F15 C42 C41 115.2(8) . . ?
C37 C42 C41 121.9(9) . . ?

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
C7 P1 C1 C6 -95.8(8) . . . . ?
C13 P1 C1 C6 15.9(8) . . . . ?
Au1 P1 C1 C6 140.8(6) . . . . ?
C7 P1 C1 C2 84.6(7) . . . . ?
C13 P1 C1 C2 -163.7(7) . . . . ?
Au1 P1 C1 C2 -38.8(7) . . . . ?
C6 C1 C2 C3 0.1(13) . . . . ?
P1 C1 C2 C3 179.7(7) . . . . ?
C1 C2 C3 C4 -0.5(15) . . . . ?
C2 C3 C4 C5 1.6(16) . . . . ?
C3 C4 C5 C6 -2.4(16) . . . . ?
C2 C1 C6 C5 -0.9(13) . . . . ?
P1 C1 C6 C5 179.6(7) . . . . ?
C4 C5 C6 C1 2.1(15) . . . . ?
C13 P1 C7 C12 -91.5(9) . . . . ?
C1 P1 C7 C12 19.5(9) . . . . ?
Au1 P1 C7 C12 143.3(7) . . . . ?
C13 P1 C7 C8 90.8(8) . . . . ?
C1 P1 C7 C8 -158.3(8) . . . . ?
Au1 P1 C7 C8 -34.5(9) . . . . ?
C12 C7 C8 C9 2.1(16) . . . . ?
P1 C7 C8 C9 179.9(9) . . . . ?
C7 C8 C9 C10 -1.7(19) . . . . ?
C8 C9 C10 C11 1(2) . . . . ?
C9 C10 C11 C12 -2(2) . . . . ?
C8 C7 C12 C11 -2.3(16) . . . . ?
P1 C7 C12 C11 180.0(9) . . . . ?
C10 C11 C12 C7 2.1(19) . . . . ?
C7 P1 C13 C14 -144.0(7) . . . . ?
C1 P1 C13 C14 104.6(7) . . . . ?
Au1 P1 C13 C14 -19.8(8) . . . . ?
C7 P1 C13 C18 34.9(8) . . . . ?
C1 P1 C13 C18 -76.5(8) . . . . ?
Au1 P1 C13 C18 159.1(6) . . . . ?
C18 C13 C14 C15 3.5(14) . . . . ?
P1 C13 C14 C15 -177.5(8) . . . . ?
C13 C14 C15 C16 -1.1(18) . . . . ?
C14 C15 C16 C17 -1(2) . . . . ?
C15 C16 C17 C18 -0.1(19) . . . . ?
C14 C13 C18 C17 -4.3(14) . . . . ?
P1 C13 C18 C17 176.8(7) . . . . ?
C16 C17 C18 C13 2.6(17) . . . . ?
C24 C19 C20 C21 1.1(12) . . . . ?
Au1 C19 C20 C21 -176.0(6) . . . . ?
C24 C19 C20 C25 -179.6(7) . . . . ?
Au1 C19 C20 C25 3.4(11) . . . . ?
C19 C20 C21 C22 0.1(13) . . . . ?
C25 C20 C21 C22 -179.3(8) . . . . ?
C20 C21 C22 C23 -1.2(12) . . . . ?
C20 C21 C22 C37 178.8(8) . . . . ?
C21 C22 C23 C24 1.1(12) . . . . ?
C37 C22 C23 C24 -178.9(7) . . . . ?
C22 C23 C24 C19 0.1(12) . . . . ?
C22 C23 C24 C31 174.3(7) . . . . ?
C20 C19 C24 C23 -1.2(11) . . . . ?
Au1 C19 C24 C23 176.0(5) . . . . ?
C20 C19 C24 C31 -175.1(7) . . . . ?
Au1 C19 C24 C31 2.0(10) . . . . ?
C21 C20 C25 C30 95.9(11) . . . . ?
C19 C20 C25 C30 -83.4(11) . . . . ?
C21 C20 C25 C26 -85.6(11) . . . . ?
C19 C20 C25 C26 95.0(11) . . . . ?
C30 C25 C26 F1 179.8(8) . . . . ?
C20 C25 C26 F1 1.2(13) . . . . ?
C30 C25 C26 C27 0.4(14) . . . . ?
C20 C25 C26 C27 -178.1(9) . . . . ?
F1 C26 C27 F2 1.2(14) . . . . ?
C25 C26 C27 F2 -179.4(9) . . . . ?
F1 C26 C27 C28 179.9(9) . . . . ?
C25 C26 C27 C28 -0.7(16) . . . . ?
F2 C27 C28 C29 -179.4(10) . . . . ?
C26 C27 C28 C29 1.9(16) . . . . ?
F2 C27 C28 F3 -0.9(15) . . . . ?
C26 C27 C28 F3 -179.6(8) . . . . ?
C27 C28 C29 F4 178.8(10) . . . . ?
F3 C28 C29 F4 0.4(16) . . . . ?
C27 C28 C29 C30 -2.9(17) . . . . ?
F3 C28 C29 C30 178.7(9) . . . . ?
C26 C25 C30 F5 -178.6(9) . . . . ?
C20 C25 C30 F5 -0.1(14) . . . . ?
C26 C25 C30 C29 -1.3(15) . . . . ?
C20 C25 C30 C29 177.3(9) . . . . ?
C28 C29 C30 F5 -180.0(10) . . . . ?
F4 C29 C30 F5 -1.7(15) . . . . ?
C28 C29 C30 C25 2.6(17) . . . . ?
F4 C29 C30 C25 -179.2(9) . . . . ?
C23 C24 C31 C32 120.7(9) . . . . ?
C19 C24 C31 C32 -65.2(11) . . . . ?
C23 C24 C31 C36 -59.8(10) . . . . ?
C19 C24 C31 C36 114.3(9) . . . . ?
C36 C31 C32 F6 177.8(8) . . . . ?
C24 C31 C32 F6 -2.7(13) . . . . ?
C36 C31 C32 C33 -2.0(14) . . . . ?
C24 C31 C32 C33 177.5(9) . . . . ?
C31 C32 C33 F7 -177.0(9) . . . . ?
F6 C32 C33 F7 3.1(16) . . . . ?
C31 C32 C33 C34 1.7(17) . . . . ?
F6 C32 C33 C34 -178.2(10) . . . . ?
F7 C33 C34 C35 178.1(11) . . . . ?
C32 C33 C34 C35 -0.6(19) . . . . ?
F7 C33 C34 F8 -1.7(18) . . . . ?
C32 C33 C34 F8 179.6(10) . . . . ?
F8 C34 C35 F9 -0.6(17) . . . . ?
C33 C34 C35 F9 179.6(10) . . . . ?
F8 C34 C35 C36 179.9(9) . . . . ?
C33 C34 C35 C36 0.2(18) . . . . ?
C34 C35 C36 F10 179.2(10) . . . . ?
F9 C35 C36 F10 -0.3(14) . . . . ?
C34 C35 C36 C31 -0.6(15) . . . . ?
F9 C35 C36 C31 179.9(8) . . . . ?
C32 C31 C36 F10 -178.3(8) . . . . ?
C24 C31 C36 F10 2.2(11) . . . . ?
C32 C31 C36 C35 1.5(13) . . . . ?
C24 C31 C36 C35 -178.0(8) . . . . ?
C23 C22 C37 C38 -128.6(10) . . . . ?
C21 C22 C37 C38 51.5(13) . . . . ?
C23 C22 C37 C42 47.2(12) . . . . ?
C21 C22 C37 C42 -132.8(9) . . . . ?
C42 C37 C38 F11 179.3(9) . . . . ?
C22 C37 C38 F11 -4.9(15) . . . . ?
C42 C37 C38 C39 -1.4(16) . . . . ?
C22 C37 C38 C39 174.5(10) . . . . ?
F11 C38 C39 F12 -3.4(18) . . . . ?
C37 C38 C39 F12 177.2(11) . . . . ?
F11 C38 C39 C40 -179.4(11) . . . . ?
C37 C38 C39 C40 1.2(19) . . . . ?
F12 C39 C40 F13 3(2) . . . . ?
C38 C39 C40 F13 178.9(11) . . . . ?
F12 C39 C40 C41 -175.8(12) . . . . ?
C38 C39 C40 C41 0(2) . . . . ?
F13 C40 C41 F14 2(2) . . . . ?
C39 C40 C41 F14 -179.0(12) . . . . ?
F13 C40 C41 C42 179.8(10) . . . . ?
C39 C40 C41 C42 -2(2) . . . . ?
C38 C37 C42 F15 -177.6(9) . . . . ?
C22 C37 C42 F15 6.5(14) . . . . ?
C38 C37 C42 C41 0.1(15) . . . . ?
C22 C37 C42 C41 -175.9(9) . . . . ?
F14 C41 C42 F15 -3.3(15) . . . . ?
C40 C41 C42 F15 179.1(10) . . . . ?
F14 C41 C42 C37 178.9(10) . . . . ?
C40 C41 C42 C37 1.4(17) . . . . ?

_refine_diff_density_max         1.148
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.103

