# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 2083326'
loop_
_audit_author_name
_audit_author_address
'Maria Elena Olmos'
;University of La Rioja
Spain
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2022-01-25 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT230_shelx               
;
PROBLEM: Hirshfeld Test Diff for    F3       --C5       .       10.0 s.u.
RESPONSE: Neither disorder nor model or data error has been detected.
;
# Added during the CSD deposition process: Wednesday 12 May 2021 04:12 PM
# end Validation Reply Form


_audit_creation_date             2021-05-10T19:59:15-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C36 H24 Au Br F4 P2'
_chemical_formula_sum            'C36 H24 Au Br F4 P2'
_chemical_formula_weight         871.37

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5296(7)
_cell_length_b                   13.7464(9)
_cell_length_c                   14.1548(9)
_cell_angle_alpha                65.383(2)
_cell_angle_beta                 71.256(2)
_cell_angle_gamma                75.683(2)
_cell_volume                     1582.40(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    299(2)
_cell_measurement_reflns_used    7517
_cell_measurement_theta_min      3.072
_cell_measurement_theta_max      27.89
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.106
_exptl_crystal_size_mid          0.059
_exptl_crystal_size_min          0.057
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             840

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    6.061
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.612
_exptl_absorpt_correction_T_max  0.756
_shelx_estimated_absorpt_T_min   0.566
_shelx_estimated_absorpt_T_max   0.724

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      299(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_number            46803
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.072
_diffrn_reflns_theta_max         27.89
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_reflns_Friedel_coverage         0
_reflns_number_total             7517
_reflns_number_gt                6102
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0772P)²+1.4801P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7517
_refine_ls_number_parameters     391
_refine_ls_number_restraints     0
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0456
_refine_ls_wR_factor_ref         0.1314
_refine_ls_wR_factor_gt          0.1206
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.996
_refine_diff_density_min         -1.011
_refine_diff_density_rms         0.126

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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 0 '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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

loop_
_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
Au Au 0.73405(3) 0.19646(2) 0.73228(2) 0.06071(10) Uani 1 1 d . . . . .
P1 P 0.67591(16) 0.23604(12) 0.88272(11) 0.0508(3) Uani 1 1 d . . . . .
P2 P 0.47697(17) 0.42127(13) 0.73394(13) 0.0572(3) Uani 1 1 d . . . . .
C1 C 0.7902(7) 0.1523(5) 0.5992(5) 0.0558(12) Uani 1 1 d . . . . .
C2 C 0.7133(9) 0.0873(6) 0.5901(6) 0.0724(17) Uani 1 1 d . . . . .
C3 C 0.7588(13) 0.0577(8) 0.5006(8) 0.096(3) Uani 1 1 d . . . . .
C4 C 0.8845(13) 0.0924(8) 0.4227(7) 0.096(3) Uani 1 1 d . . . . .
C5 C 0.9619(11) 0.1567(8) 0.4314(7) 0.096(3) Uani 1 1 d . . . . .
C6 C 0.9173(9) 0.1845(6) 0.5200(6) 0.079(2) Uani 1 1 d . . . . .
Br1 Br 0.53967(12) 0.03855(8) 0.69341(9) 0.1044(3) Uani 1 1 d . . . . .
F1 F 0.6812(10) -0.0062(5) 0.4922(7) 0.146(3) Uani 1 1 d . . . . .
F2 F 0.9313(9) 0.0622(6) 0.3376(5) 0.1365(18) Uani 1 1 d . . . . .
F3 F 1.0854(9) 0.1922(6) 0.3513(5) 0.1365(18) Uani 1 1 d . . . . .
F4 F 1.0107(5) 0.2440(4) 0.5178(4) 0.0919(13) Uani 1 1 d . . . . .
C7 C 0.4730(6) 0.2611(4) 0.9377(4) 0.0513(11) Uani 1 1 d . . . . .
C8 C 0.4065(7) 0.2022(5) 1.0432(5) 0.0630(14) Uani 1 1 d . . . . .
H8 H 0.4663 0.1529 1.0877 0.076 Uiso 1 1 calc R U . . .
C9 C 0.2544(8) 0.2150(6) 1.0832(6) 0.0697(16) Uani 1 1 d . . . . .
H9 H 0.212 0.176 1.1546 0.084 Uiso 1 1 calc R U . . .
C10 C 0.1647(8) 0.2859(6) 1.0173(6) 0.0701(17) Uani 1 1 d . . . . .
H10 H 0.0613 0.2934 1.0429 0.084 Uiso 1 1 calc R U . . .
C11 C 0.2305(7) 0.3461(5) 0.9123(5) 0.0634(14) Uani 1 1 d . . . . .
H11 H 0.1696 0.3943 0.8681 0.076 Uiso 1 1 calc R U . . .
C12 C 0.3843(6) 0.3369(5) 0.8709(5) 0.0543(12) Uani 1 1 d . . . . .
C13 C 0.3562(7) 0.4247(5) 0.6550(5) 0.0595(13) Uani 1 1 d . . . . .
C14 C 0.3103(8) 0.5197(6) 0.5772(5) 0.0657(15) Uani 1 1 d . . . . .
H14 H 0.3339 0.5852 0.5681 0.079 Uiso 1 1 calc R U . . .
C15 C 0.2289(8) 0.5161(7) 0.5131(6) 0.079(2) Uani 1 1 d . . . . .
H15 H 0.1982 0.5795 0.461 0.094 Uiso 1 1 calc R U . . .
C16 C 0.1941(10) 0.4201(7) 0.5261(6) 0.083(2) Uani 1 1 d . . . . .
H16 H 0.1344 0.4186 0.4862 0.1 Uiso 1 1 calc R U . . .
C17 C 0.2476(12) 0.3249(7) 0.5988(7) 0.090(2) Uani 1 1 d . . . . .
H17 H 0.2307 0.2591 0.6034 0.108 Uiso 1 1 calc R U . . .
C18 C 0.3249(10) 0.3272(6) 0.6637(6) 0.0780(19) Uani 1 1 d . . . . .
H18 H 0.357 0.2631 0.7143 0.094 Uiso 1 1 calc R U . . .
C19 C 0.4323(7) 0.5569(5) 0.7402(5) 0.0615(14) Uani 1 1 d . . . . .
C20 C 0.5504(9) 0.6110(6) 0.7113(7) 0.084(2) Uani 1 1 d . . . . .
H20 H 0.6471 0.5783 0.6913 0.1 Uiso 1 1 calc R U . . .
C21 C 0.5272(11) 0.7171(7) 0.7114(9) 0.103(3) Uani 1 1 d . . . . .
H21 H 0.6085 0.7537 0.691 0.123 Uiso 1 1 calc R U . . .
C22 C 0.3884(11) 0.7645(6) 0.7408(7) 0.088(2) Uani 1 1 d . . . . .
H22 H 0.3733 0.8342 0.7402 0.106 Uiso 1 1 calc R U . . .
C23 C 0.2689(10) 0.7105(6) 0.7717(7) 0.081(2) Uani 1 1 d . . . . .
H23 H 0.1728 0.7432 0.7933 0.097 Uiso 1 1 calc R U . . .
C24 C 0.2897(8) 0.6069(6) 0.7711(6) 0.0720(17) Uani 1 1 d . . . . .
H24 H 0.2075 0.5711 0.7916 0.086 Uiso 1 1 calc R U . . .
C25 C 0.7483(6) 0.3519(5) 0.8691(5) 0.0527(11) Uani 1 1 d . . . . .
C26 C 0.6872(7) 0.4045(6) 0.9409(5) 0.0647(15) Uani 1 1 d . . . . .
H26 H 0.6072 0.3795 0.9988 0.078 Uiso 1 1 calc R U . . .
C27 C 0.7445(9) 0.4941(6) 0.9267(7) 0.0761(18) Uani 1 1 d . . . . .
H27 H 0.7037 0.5292 0.9751 0.091 Uiso 1 1 calc R U . . .
C28 C 0.8635(9) 0.5313(6) 0.8398(7) 0.0779(19) Uani 1 1 d . . . . .
H28 H 0.9022 0.5912 0.8309 0.094 Uiso 1 1 calc R U . . .
C29 C 0.9238(8) 0.4829(6) 0.7686(6) 0.0739(18) Uani 1 1 d . . . . .
H29 H 1.001 0.5111 0.7097 0.089 Uiso 1 1 calc R U . . .
C30 C 0.8723(8) 0.3905(6) 0.7815(5) 0.0668(16) Uani 1 1 d . . . . .
H30 H 0.9178 0.3548 0.734 0.08 Uiso 1 1 calc R U . . .
C31 C 0.7450(6) 0.1231(5) 0.9896(5) 0.0548(12) Uani 1 1 d . . . . .
C32 C 0.8283(8) 0.1323(6) 1.0475(6) 0.0708(16) Uani 1 1 d . . . . .
H32 H 0.849 0.1998 1.0354 0.085 Uiso 1 1 calc R U . . .
C33 C 0.8813(10) 0.0421(7) 1.1232(6) 0.085(2) Uani 1 1 d . . . . .
H33 H 0.938 0.0495 1.1619 0.102 Uiso 1 1 calc R U . . .
C34 C 0.8534(10) -0.0577(7) 1.1433(6) 0.088(2) Uani 1 1 d . . . . .
H34 H 0.89 -0.1179 1.1955 0.105 Uiso 1 1 calc R U . . .
C35 C 0.7721(11) -0.0688(6) 1.0870(7) 0.088(2) Uani 1 1 d . . . . .
H35 H 0.7523 -0.137 1.1005 0.106 Uiso 1 1 calc R U . . .
C36 C 0.7172(9) 0.0213(6) 1.0084(6) 0.0716(17) Uani 1 1 d . . . . .
H36 H 0.6624 0.0132 0.969 0.086 Uiso 1 1 calc R U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Au C1 2.084(6) . ?
Au P1 2.2794(14) . ?
Au P2 3.4398(16) . ?
P1 C25 1.803(6) . ?
P1 C31 1.819(6) . ?
P1 C7 1.841(6) . ?
P2 C13 1.825(6) . ?
P2 C19 1.839(7) . ?
P2 C12 1.848(6) . ?
C1 C2 1.354(10) . ?
C1 C6 1.378(10) . ?
C2 C3 1.396(12) . ?
C2 Br1 1.871(8) . ?
C3 F1 1.341(12) . ?
C3 C4 1.368(15) . ?
C4 F2 1.343(9) . ?
C4 C5 1.346(15) . ?
C5 F3 1.369(12) . ?
C5 C6 1.369(12) . ?
C6 F4 1.335(10) . ?
C7 C8 1.388(8) . ?
C7 C12 1.397(8) . ?
C8 C9 1.372(9) . ?
C8 H8 0.93 . ?
C9 C10 1.376(11) . ?
C9 H9 0.93 . ?
C10 C11 1.385(10) . ?
C10 H10 0.93 . ?
C11 C12 1.388(8) . ?
C11 H11 0.93 . ?
C13 C18 1.392(10) . ?
C13 C14 1.392(9) . ?
C14 C15 1.391(10) . ?
C14 H14 0.93 . ?
C15 C16 1.363(12) . ?
C15 H15 0.93 . ?
C16 C17 1.385(12) . ?
C16 H16 0.93 . ?
C17 C18 1.364(11) . ?
C17 H17 0.93 . ?
C18 H18 0.93 . ?
C19 C20 1.362(10) . ?
C19 C24 1.385(10) . ?
C20 C21 1.420(12) . ?
C20 H20 0.93 . ?
C21 C22 1.339(13) . ?
C21 H21 0.93 . ?
C22 C23 1.367(12) . ?
C22 H22 0.93 . ?
C23 C24 1.392(10) . ?
C23 H23 0.93 . ?
C24 H24 0.93 . ?
C25 C26 1.385(9) . ?
C25 C30 1.427(9) . ?
C26 C27 1.382(10) . ?
C26 H26 0.93 . ?
C27 C28 1.388(11) . ?
C27 H27 0.93 . ?
C28 C29 1.337(11) . ?
C28 H28 0.93 . ?
C29 C30 1.394(10) . ?
C29 H29 0.93 . ?
C30 H30 0.93 . ?
C31 C32 1.369(9) . ?
C31 C36 1.388(9) . ?
C32 C33 1.367(10) . ?
C32 H32 0.93 . ?
C33 C34 1.357(13) . ?
C33 H33 0.93 . ?
C34 C35 1.348(13) . ?
C34 H34 0.93 . ?
C35 C36 1.397(11) . ?
C35 H35 0.93 . ?
C36 H36 0.93 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au P1 177.16(16) . . ?
C1 Au P2 118.29(16) . . ?
P1 Au P2 64.29(5) . . ?
C25 P1 C31 105.8(3) . . ?
C25 P1 C7 104.9(3) . . ?
C31 P1 C7 105.5(3) . . ?
C25 P1 Au 116.3(2) . . ?
C31 P1 Au 110.61(19) . . ?
C7 P1 Au 112.85(18) . . ?
C13 P2 C19 103.8(3) . . ?
C13 P2 C12 102.1(3) . . ?
C19 P2 C12 102.4(3) . . ?
C13 P2 Au 103.5(2) . . ?
C19 P2 Au 148.8(2) . . ?
C12 P2 Au 86.42(18) . . ?
C2 C1 C6 118.1(7) . . ?
C2 C1 Au 123.1(5) . . ?
C6 C1 Au 118.7(5) . . ?
C1 C2 C3 120.6(8) . . ?
C1 C2 Br1 121.6(5) . . ?
C3 C2 Br1 117.8(7) . . ?
F1 C3 C4 120.3(9) . . ?
F1 C3 C2 120.0(11) . . ?
C4 C3 C2 119.7(9) . . ?
F2 C4 C5 119.8(11) . . ?
F2 C4 C3 120.2(11) . . ?
C5 C4 C3 120.1(8) . . ?
C4 C5 F3 118.9(9) . . ?
C4 C5 C6 119.8(9) . . ?
F3 C5 C6 121.3(11) . . ?
F4 C6 C5 111.8(8) . . ?
F4 C6 C1 126.6(7) . . ?
C5 C6 C1 121.6(9) . . ?
C8 C7 C12 119.7(5) . . ?
C8 C7 P1 120.8(5) . . ?
C12 C7 P1 119.4(4) . . ?
C9 C8 C7 121.4(6) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 119.7(6) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C9 C10 C11 119.2(6) . . ?
C9 C10 H10 120.4 . . ?
C11 C10 H10 120.4 . . ?
C10 C11 C12 122.2(6) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C7 117.7(6) . . ?
C11 C12 P2 123.5(5) . . ?
C7 C12 P2 118.7(4) . . ?
C18 C13 C14 118.8(6) . . ?
C18 C13 P2 118.4(5) . . ?
C14 C13 P2 122.3(5) . . ?
C15 C14 C13 119.8(7) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C16 C15 C14 120.3(7) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.0(8) . . ?
C15 C16 H16 120 . . ?
C17 C16 H16 120 . . ?
C18 C17 C16 120.3(8) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C13 120.6(7) . . ?
C17 C18 H18 119.7 . . ?
C13 C18 H18 119.7 . . ?
C20 C19 C24 118.5(7) . . ?
C20 C19 P2 116.3(6) . . ?
C24 C19 P2 125.2(5) . . ?
C19 C20 C21 120.5(8) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C22 C21 C20 120.1(8) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 120.0(8) . . ?
C21 C22 H22 120 . . ?
C23 C22 H22 120 . . ?
C22 C23 C24 120.6(8) . . ?
C22 C23 H23 119.7 . . ?
C24 C23 H23 119.7 . . ?
C19 C24 C23 120.2(7) . . ?
C19 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C26 C25 C30 119.0(6) . . ?
C26 C25 P1 122.1(5) . . ?
C30 C25 P1 118.9(5) . . ?
C27 C26 C25 120.3(6) . . ?
C27 C26 H26 119.9 . . ?
C25 C26 H26 119.9 . . ?
C26 C27 C28 119.6(7) . . ?
C26 C27 H27 120.2 . . ?
C28 C27 H27 120.2 . . ?
C29 C28 C27 121.5(7) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C28 C29 C30 120.8(7) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C29 C30 C25 118.7(7) . . ?
C29 C30 H30 120.6 . . ?
C25 C30 H30 120.6 . . ?
C32 C31 C36 118.9(6) . . ?
C32 C31 P1 124.0(5) . . ?
C36 C31 P1 117.1(5) . . ?
C33 C32 C31 120.0(7) . . ?
C33 C32 H32 120 . . ?
C31 C32 H32 120 . . ?
C34 C33 C32 121.8(8) . . ?
C34 C33 H33 119.1 . . ?
C32 C33 H33 119.1 . . ?
C35 C34 C33 119.4(7) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 120.5(8) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 119.6(7) . . ?
C31 C36 H36 120.2 . . ?
C35 C36 H36 120.2 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C8 H8 Br1 0.93 3.11 3.902(7) 143.6 2_657



# END of CIF
_exptl_crystal_preparation       Luminescent
####################################################################### 
# 
# 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_shelx_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2083327'
loop_
_audit_author_name
_audit_author_address
'Maria Elena Olmos'
;University of La Rioja
Spain
;
_audit_update_record             
;
2021-05-12 deposited with the CCDC.	2022-01-25 downloaded from the CCDC.
;

_audit_creation_date             2021-04-28T11:03:44-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C36 H24 Au F5 P2'
_chemical_formula_sum            'C36 H24 Au F5 P2'
_chemical_formula_weight         810.46

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.3057(7)
_cell_length_b                   13.6833(10)
_cell_length_c                   14.0638(9)
_cell_angle_alpha                117.397(2)
_cell_angle_beta                 96.580(2)
_cell_angle_gamma                102.952(3)
_cell_volume                     1499.62(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    10486
_cell_measurement_theta_min      3.056
_cell_measurement_theta_max      34.008
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.061
_exptl_crystal_size_mid          0.053
_exptl_crystal_size_min          0.023
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             788

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    5.069
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_T_max  0.904
_shelx_estimated_absorpt_T_min   0.747
_shelx_estimated_absorpt_T_max   0.892

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_probe          x-ray
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_standards_number         0
_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_av_R_equivalents  0.0839
_diffrn_reflns_av_unetI/netI     0.0837
_diffrn_reflns_number            46032
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.056
_diffrn_reflns_theta_max         34.008
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.855
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.855
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.855
_reflns_Friedel_coverage         0
_reflns_number_total             10486
_reflns_number_gt                7366
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'

#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0264P)²+2.3207P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         10486
_refine_ls_number_parameters     397
_refine_ls_number_restraints     87
_refine_ls_number_constraints    0
_refine_ls_R_factor_all          0.1005
_refine_ls_R_factor_gt           0.0501
_refine_ls_wR_factor_ref         0.1031
_refine_ls_wR_factor_gt          0.0805
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_restrained_S_all      1.138
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_diff_density_max         2.075
_refine_diff_density_min         -2.178
_refine_diff_density_rms         0.233

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

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

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
Au Au 0.25876(3) 0.45193(2) 0.25388(2) 0.02828(6) Uani 1 1 d . . . . .
P1 P 0.31062(16) 0.63286(12) 0.40190(11) 0.0276(3) Uani 1 1 d . . . . .
P2 P 0.50799(16) 0.66174(12) 0.24195(11) 0.0279(3) Uani 1 1 d . . . . .
C1 C 0.2169(7) 0.2858(5) 0.1301(4) 0.0326(11) Uani 1 1 d . U . . .
C2 C 0.3173(7) 0.2243(5) 0.1259(4) 0.0329(11) Uani 1 1 d . U . . .
C3 C 0.2904(7) 0.1103(5) 0.0458(5) 0.0381(12) Uani 1 1 d . U . . .
C4 C 0.1579(7) 0.0544(5) -0.0366(5) 0.0382(12) Uani 1 1 d . U . . .
C5 C 0.0552(7) 0.1118(5) -0.0395(5) 0.0360(12) Uani 1 1 d . U . . .
C6 C 0.0866(7) 0.2250(5) 0.0434(5) 0.0335(11) Uani 1 1 d . U . . .
F1 F 0.4494(4) 0.2747(3) 0.2055(3) 0.0424(8) Uani 1 1 d . U . . .
F2 F 0.3916(5) 0.0545(3) 0.0487(3) 0.0519(10) Uani 1 1 d . U . . .
F3 F 0.1272(5) -0.0578(3) -0.1141(3) 0.0520(10) Uani 1 1 d . U . . .
F4 F -0.0731(4) 0.0561(3) -0.1209(3) 0.0482(9) Uani 1 1 d . U . . .
F5 F -0.0210(4) 0.2759(3) 0.0379(3) 0.0420(8) Uani 1 1 d . U . . .
C7 C 0.5168(6) 0.7025(4) 0.4576(4) 0.0278(10) Uani 1 1 d . U . . .
C8 C 0.5850(7) 0.7422(5) 0.5682(5) 0.0325(11) Uani 1 1 d . U . . .
H8 H 0.52386 0.738305 0.616737 0.039 Uiso 1 1 calc R U . . .
C9 C 0.7421(7) 0.7873(5) 0.6064(5) 0.0348(12) Uani 1 1 d . U . . .
H9 H 0.788477 0.815669 0.681835 0.042 Uiso 1 1 calc R U . . .
C10 C 0.8309(7) 0.7913(5) 0.5364(5) 0.0342(12) Uani 1 1 d . U . . .
H10 H 0.938678 0.821498 0.563139 0.041 Uiso 1 1 calc R U . . .
C11 C 0.7639(6) 0.7512(5) 0.4258(5) 0.0322(11) Uani 1 1 d . U . . .
H11 H 0.826843 0.753224 0.37772 0.039 Uiso 1 1 calc R U . . .
C12 C 0.6066(6) 0.7084(5) 0.3849(4) 0.0295(11) Uani 1 1 d . U . . .
C13 C 0.6277(6) 0.5859(5) 0.1613(5) 0.0315(11) Uani 1 1 d . U . . .
C14 C 0.6855(6) 0.6093(5) 0.0831(5) 0.0320(12) Uani 1 1 d . U . . .
H14 H 0.669156 0.67127 0.074701 0.038 Uiso 1 1 calc R U . . .
C15 C 0.7657(7) 0.5427(5) 0.0184(5) 0.0353(12) Uani 1 1 d . U . . .
H15 H 0.805137 0.559788 -0.033513 0.042 Uiso 1 1 calc R U . . .
C16 C 0.7887(6) 0.4510(6) 0.0291(5) 0.0375(13) Uani 1 1 d . U . . .
H16 H 0.845875 0.406421 -0.014093 0.045 Uiso 1 1 calc R U . . .
C17 C 0.7278(7) 0.4249(5) 0.1030(5) 0.0361(12) Uani 1 1 d . U . . .
H17 H 0.740891 0.360937 0.109055 0.043 Uiso 1 1 calc R U . . .
C18 C 0.6480(7) 0.4917(5) 0.1681(5) 0.0342(12) Uani 1 1 d . U . . .
H18 H 0.606419 0.472719 0.218355 0.041 Uiso 1 1 calc R U . . .
C19 C 0.5533(6) 0.7985(5) 0.2398(4) 0.0285(10) Uani 1 1 d . U . . .
C20 C 0.4321(7) 0.8257(5) 0.2026(5) 0.0364(12) Uani 1 1 d . U . . .
H20 H 0.331585 0.775693 0.18372 0.044 Uiso 1 1 calc R U . . .
C21 C 0.4524(7) 0.9235(6) 0.1918(5) 0.0401(13) Uani 1 1 d . U . . .
H21 H 0.367326 0.939574 0.165092 0.048 Uiso 1 1 calc R U . . .
C22 C 0.5979(7) 0.9969(5) 0.2205(5) 0.0371(12) Uani 1 1 d . U . . .
H22 H 0.614021 1.063767 0.212973 0.045 Uiso 1 1 calc R U . . .
C23 C 0.7205(6) 0.9730(5) 0.2605(5) 0.0340(12) Uani 1 1 d . U . . .
H23 H 0.820633 1.024522 0.281516 0.041 Uiso 1 1 calc R U . . .
C24 C 0.6989(6) 0.8746(5) 0.2701(4) 0.0306(11) Uani 1 1 d . U . . .
H24 H 0.784136 0.859129 0.297536 0.037 Uiso 1 1 calc R U . . .
C25 C 0.2420(6) 0.7368(5) 0.3789(4) 0.0287(10) Uani 1 1 d . U . . .
C26 C 0.3091(6) 0.8544(5) 0.4477(5) 0.0313(11) Uani 1 1 d . U . . .
H26 H 0.39327 0.882539 0.508589 0.038 Uiso 1 1 calc R U . . .
C27 C 0.2549(6) 0.9326(5) 0.4292(5) 0.0329(11) Uani 1 1 d . U . . .
H27 H 0.300785 1.013732 0.477539 0.04 Uiso 1 1 calc R U . . .
C28 C 0.1333(7) 0.8909(5) 0.3395(5) 0.0361(12) Uani 1 1 d . U . . .
H28 H 0.096267 0.943869 0.325951 0.043 Uiso 1 1 calc R U . . .
C29 C 0.0655(7) 0.7734(5) 0.2697(5) 0.0366(12) Uani 1 1 d . U . . .
H29 H -0.017533 0.745756 0.208178 0.044 Uiso 1 1 calc R U . . .
C30 C 0.1177(6) 0.6958(5) 0.2887(5) 0.0324(11) Uani 1 1 d . U . . .
H30 H 0.069907 0.614813 0.240986 0.039 Uiso 1 1 calc R U . . .
C31 C 0.2364(6) 0.6281(5) 0.5147(5) 0.0307(11) Uani 1 1 d . U . . .
C32 C 0.1832(6) 0.7151(5) 0.5856(5) 0.0326(12) Uani 1 1 d . U . . .
H32 H 0.190566 0.781994 0.579087 0.039 Uiso 1 1 calc R U . . .
C33 C 0.1197(7) 0.7036(5) 0.6657(5) 0.0346(12) Uani 1 1 d . U . . .
H33 H 0.081969 0.762324 0.713331 0.042 Uiso 1 1 calc R U . . .
C34 C 0.1107(6) 0.6074(5) 0.6768(5) 0.0339(12) Uani 1 1 d . U . . .
H34 H 0.06748 0.600675 0.73239 0.041 Uiso 1 1 calc R U . . .
C35 C 0.1639(7) 0.5212(5) 0.6080(5) 0.0352(12) Uani 1 1 d . U . . .
H35 H 0.158025 0.455333 0.616093 0.042 Uiso 1 1 calc R U . . .
C36 C 0.2266(7) 0.5316(5) 0.5265(5) 0.0336(12) Uani 1 1 d . U . . .
H36 H 0.262907 0.472077 0.47848 0.04 Uiso 1 1 calc R U . . .



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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
Au C1 2.038(5) . ?
Au P1 2.2774(14) . ?
P1 C25 1.821(5) . ?
P1 C31 1.823(6) . ?
P1 C7 1.831(5) . ?
P2 C13 1.824(6) . ?
P2 C19 1.840(6) . ?
P2 C12 1.851(5) . ?
C1 C2 1.380(8) . ?
C1 C6 1.387(8) . ?
C2 F1 1.354(6) . ?
C2 C3 1.381(8) . ?
C3 F2 1.347(6) . ?
C3 C4 1.372(9) . ?
C4 F3 1.349(6) . ?
C4 C5 1.374(9) . ?
C5 F4 1.339(6) . ?
C5 C6 1.379(8) . ?
C6 F5 1.356(6) . ?
C7 C8 1.399(7) . ?
C7 C12 1.411(7) . ?
C8 C9 1.384(8) . ?
C8 H8 0.95 . ?
C9 C10 1.369(8) . ?
C9 H9 0.95 . ?
C10 C11 1.396(8) . ?
C10 H10 0.95 . ?
C11 C12 1.389(7) . ?
C11 H11 0.95 . ?
C13 C18 1.388(8) . ?
C13 C14 1.408(8) . ?
C14 C15 1.383(8) . ?
C14 H14 0.95 . ?
C15 C16 1.390(9) . ?
C15 H15 0.95 . ?
C16 C17 1.383(8) . ?
C16 H16 0.95 . ?
C17 C18 1.384(8) . ?
C17 H17 0.95 . ?
C18 H18 0.95 . ?
C19 C20 1.383(8) . ?
C19 C24 1.389(8) . ?
C20 C21 1.390(8) . ?
C20 H20 0.95 . ?
C21 C22 1.377(9) . ?
C21 H21 0.95 . ?
C22 C23 1.384(8) . ?
C22 H22 0.95 . ?
C23 C24 1.387(8) . ?
C23 H23 0.95 . ?
C24 H24 0.95 . ?
C25 C26 1.377(8) . ?
C25 C30 1.407(7) . ?
C26 C27 1.391(8) . ?
C26 H26 0.95 . ?
C27 C28 1.386(8) . ?
C27 H27 0.95 . ?
C28 C29 1.378(9) . ?
C28 H28 0.95 . ?
C29 C30 1.377(8) . ?
C29 H29 0.95 . ?
C30 H30 0.95 . ?
C31 C36 1.390(8) . ?
C31 C32 1.393(8) . ?
C32 C33 1.384(8) . ?
C32 H32 0.95 . ?
C33 C34 1.381(8) . ?
C33 H33 0.95 . ?
C34 C35 1.376(8) . ?
C34 H34 0.95 . ?
C35 C36 1.393(8) . ?
C35 H35 0.95 . ?
C36 H36 0.95 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au P1 175.42(17) . . ?
C25 P1 C31 105.9(2) . . ?
C25 P1 C7 104.6(2) . . ?
C31 P1 C7 106.1(3) . . ?
C25 P1 Au 117.51(18) . . ?
C31 P1 Au 111.63(19) . . ?
C7 P1 Au 110.22(18) . . ?
C13 P2 C19 103.5(2) . . ?
C13 P2 C12 102.2(2) . . ?
C19 P2 C12 102.6(2) . . ?
C2 C1 C6 114.3(5) . . ?
C2 C1 Au 122.3(4) . . ?
C6 C1 Au 123.4(4) . . ?
F1 C2 C1 119.8(5) . . ?
F1 C2 C3 116.2(5) . . ?
C1 C2 C3 124.0(5) . . ?
F2 C3 C4 120.5(5) . . ?
F2 C3 C2 120.8(6) . . ?
C4 C3 C2 118.8(5) . . ?
F3 C4 C3 119.9(6) . . ?
F3 C4 C5 119.8(6) . . ?
C3 C4 C5 120.3(5) . . ?
F4 C5 C4 119.5(5) . . ?
F4 C5 C6 122.0(6) . . ?
C4 C5 C6 118.6(5) . . ?
F5 C6 C5 115.9(5) . . ?
F5 C6 C1 120.0(5) . . ?
C5 C6 C1 124.1(5) . . ?
C8 C7 C12 120.6(5) . . ?
C8 C7 P1 120.7(4) . . ?
C12 C7 P1 118.6(4) . . ?
C9 C8 C7 119.7(5) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C10 C9 C8 120.4(5) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 120.3(5) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C12 C11 C10 121.1(5) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 H11 119.5 . . ?
C11 C12 C7 117.9(5) . . ?
C11 C12 P2 123.9(4) . . ?
C7 C12 P2 118.2(4) . . ?
C18 C13 C14 118.2(5) . . ?
C18 C13 P2 118.1(4) . . ?
C14 C13 P2 123.3(4) . . ?
C15 C14 C13 120.6(5) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 120.2(5) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 119.6(5) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
C16 C17 C18 120.3(6) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 121.1(5) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C20 C19 C24 118.0(5) . . ?
C20 C19 P2 116.9(4) . . ?
C24 C19 P2 125.1(4) . . ?
C19 C20 C21 122.2(6) . . ?
C19 C20 H20 118.9 . . ?
C21 C20 H20 118.9 . . ?
C22 C21 C20 119.0(5) . . ?
C22 C21 H21 120.5 . . ?
C20 C21 H21 120.5 . . ?
C21 C22 C23 119.8(5) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C22 C23 C24 120.7(5) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C19 120.3(5) . . ?
C23 C24 H24 119.9 . . ?
C19 C24 H24 119.9 . . ?
C26 C25 C30 119.3(5) . . ?
C26 C25 P1 121.5(4) . . ?
C30 C25 P1 119.2(4) . . ?
C25 C26 C27 120.7(5) . . ?
C25 C26 H26 119.6 . . ?
C27 C26 H26 119.6 . . ?
C28 C27 C26 119.3(5) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C29 C28 C27 120.6(5) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C30 C29 C28 120.2(5) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
C29 C30 C25 119.9(5) . . ?
C29 C30 H30 120.1 . . ?
C25 C30 H30 120.1 . . ?
C36 C31 C32 119.3(5) . . ?
C36 C31 P1 118.4(4) . . ?
C32 C31 P1 122.2(4) . . ?
C33 C32 C31 119.7(5) . . ?
C33 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C34 C33 C32 120.5(5) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C35 C34 C33 120.5(5) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 119.4(6) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C31 C36 C35 120.6(5) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?

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
C6 C1 C2 F1 179.4(5) . . . . ?
Au C1 C2 F1 -0.5(7) . . . . ?
C6 C1 C2 C3 -2.6(8) . . . . ?
Au C1 C2 C3 177.5(4) . . . . ?
F1 C2 C3 F2 0.1(8) . . . . ?
C1 C2 C3 F2 -177.9(5) . . . . ?
F1 C2 C3 C4 179.6(5) . . . . ?
C1 C2 C3 C4 1.5(9) . . . . ?
F2 C3 C4 F3 1.2(9) . . . . ?
C2 C3 C4 F3 -178.3(5) . . . . ?
F2 C3 C4 C5 -179.8(5) . . . . ?
C2 C3 C4 C5 0.8(9) . . . . ?
F3 C4 C5 F4 -1.4(8) . . . . ?
C3 C4 C5 F4 179.6(5) . . . . ?
F3 C4 C5 C6 177.4(5) . . . . ?
C3 C4 C5 C6 -1.7(9) . . . . ?
F4 C5 C6 F5 0.6(8) . . . . ?
C4 C5 C6 F5 -178.1(5) . . . . ?
F4 C5 C6 C1 179.2(5) . . . . ?
C4 C5 C6 C1 0.4(9) . . . . ?
C2 C1 C6 F5 -179.9(5) . . . . ?
Au C1 C6 F5 0.0(8) . . . . ?
C2 C1 C6 C5 1.6(8) . . . . ?
Au C1 C6 C5 -178.5(4) . . . . ?
C25 P1 C7 C8 110.1(5) . . . . ?
C31 P1 C7 C8 -1.6(5) . . . . ?
Au P1 C7 C8 -122.6(4) . . . . ?
C25 P1 C7 C12 -73.9(5) . . . . ?
C31 P1 C7 C12 174.4(4) . . . . ?
Au P1 C7 C12 53.3(4) . . . . ?
C12 C7 C8 C9 -0.3(8) . . . . ?
P1 C7 C8 C9 175.6(4) . . . . ?
C7 C8 C9 C10 -1.2(8) . . . . ?
C8 C9 C10 C11 0.8(9) . . . . ?
C9 C10 C11 C12 1.1(9) . . . . ?
C10 C11 C12 C7 -2.5(8) . . . . ?
C10 C11 C12 P2 176.2(4) . . . . ?
C8 C7 C12 C11 2.1(8) . . . . ?
P1 C7 C12 C11 -173.9(4) . . . . ?
C8 C7 C12 P2 -176.7(4) . . . . ?
P1 C7 C12 P2 7.4(6) . . . . ?
C13 P2 C12 C11 40.6(5) . . . . ?
C19 P2 C12 C11 -66.5(5) . . . . ?
C13 P2 C12 C7 -140.7(4) . . . . ?
C19 P2 C12 C7 112.2(4) . . . . ?
C19 P2 C13 C18 165.2(4) . . . . ?
C12 P2 C13 C18 58.9(5) . . . . ?
C19 P2 C13 C14 -22.6(5) . . . . ?
C12 P2 C13 C14 -128.9(5) . . . . ?
C18 C13 C14 C15 -2.7(8) . . . . ?
P2 C13 C14 C15 -174.9(4) . . . . ?
C13 C14 C15 C16 0.7(9) . . . . ?
C14 C15 C16 C17 1.5(9) . . . . ?
C15 C16 C17 C18 -1.8(9) . . . . ?
C16 C17 C18 C13 -0.3(9) . . . . ?
C14 C13 C18 C17 2.4(8) . . . . ?
P2 C13 C18 C17 175.1(4) . . . . ?
C13 P2 C19 C20 125.5(4) . . . . ?
C12 P2 C19 C20 -128.5(4) . . . . ?
C13 P2 C19 C24 -53.0(5) . . . . ?
C12 P2 C19 C24 53.0(5) . . . . ?
C24 C19 C20 C21 1.9(9) . . . . ?
P2 C19 C20 C21 -176.7(5) . . . . ?
C19 C20 C21 C22 -0.9(10) . . . . ?
C20 C21 C22 C23 -0.7(9) . . . . ?
C21 C22 C23 C24 1.2(9) . . . . ?
C22 C23 C24 C19 -0.1(8) . . . . ?
C20 C19 C24 C23 -1.4(8) . . . . ?
P2 C19 C24 C23 177.1(4) . . . . ?
C31 P1 C25 C26 77.8(5) . . . . ?
C7 P1 C25 C26 -34.1(5) . . . . ?
Au P1 C25 C26 -156.7(4) . . . . ?
C31 P1 C25 C30 -102.2(5) . . . . ?
C7 P1 C25 C30 145.9(4) . . . . ?
Au P1 C25 C30 23.3(5) . . . . ?
C30 C25 C26 C27 0.3(8) . . . . ?
P1 C25 C26 C27 -179.8(4) . . . . ?
C25 C26 C27 C28 -0.8(8) . . . . ?
C26 C27 C28 C29 0.5(9) . . . . ?
C27 C28 C29 C30 0.3(9) . . . . ?
C28 C29 C30 C25 -0.8(9) . . . . ?
C26 C25 C30 C29 0.6(8) . . . . ?
P1 C25 C30 C29 -179.4(4) . . . . ?
C25 P1 C31 C36 159.1(4) . . . . ?
C7 P1 C31 C36 -90.1(5) . . . . ?
Au P1 C31 C36 30.0(5) . . . . ?
C25 P1 C31 C32 -18.0(5) . . . . ?
C7 P1 C31 C32 92.8(5) . . . . ?
Au P1 C31 C32 -147.0(4) . . . . ?
C36 C31 C32 C33 -0.9(8) . . . . ?
P1 C31 C32 C33 176.1(4) . . . . ?
C31 C32 C33 C34 1.0(9) . . . . ?
C32 C33 C34 C35 -0.4(9) . . . . ?
C33 C34 C35 C36 -0.3(9) . . . . ?
C32 C31 C36 C35 0.2(9) . . . . ?
P1 C31 C36 C35 -176.9(4) . . . . ?
C34 C35 C36 C31 0.4(9) . . . . ?



# END of CIF
_exptl_crystal_preparation       Luminescent
