# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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_AMAD172_0m
_database_code_depnum_ccdc_archive 'CCDC 2162609'
loop_
_audit_author_name
_audit_author_address
'Abdul Malik Puthan Peedikakkal'
;King Fahd University of Petroleum and Minerals
Saudi Arabia
;
_audit_update_record             
;
2022-03-28 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H78 Au2 F12 P6'
_chemical_formula_weight         1679.03

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                   10.4950(5)
_cell_length_b                   12.7517(6)
_cell_length_c                   13.8793(6)
_cell_angle_alpha                89.712(2)
_cell_angle_beta                 77.113(2)
_cell_angle_gamma                75.288(2)
_cell_volume                     1748.68(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9813
_cell_measurement_theta_min      4.352
_cell_measurement_theta_max      51.113

_exptl_crystal_description       Block
_exptl_crystal_colour            Colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_F_000             830
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.35
_exptl_absorpt_coefficient_mu    4.397
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus Sealed tube'
_diffrn_measurement_device_type  'Bruker AXS D8 Quest diffractometer'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            96674
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.061
_diffrn_reflns_theta_max         28.358
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8718
_reflns_number_gt                6790
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0615P)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     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.0000(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8718
_refine_ls_number_parameters     395
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0396
_refine_ls_wR_factor_ref         0.1045
_refine_ls_wR_factor_gt          0.0973
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_restrained_S_all      1.105
_refine_ls_shift/su_max          8.641
_refine_ls_shift/su_mean         0.022

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 0.84363(2) 0.17549(2) 0.70347(2) 0.03869(9) Uani 1 1 d . . . . .
P1 P 1.05358(10) 0.10667(9) 0.60085(8) 0.0330(2) Uani 1 1 d . . . . .
P2 P 0.63366(13) 0.21680(11) 0.81538(9) 0.0463(3) Uani 1 1 d . . . . .
F1 F 0.8019(8) 0.7788(7) 0.9103(5) 0.209(4) Uani 1 1 d . . . . .
F2 F 1.0094(7) 0.6765(7) 0.8692(8) 0.211(4) Uani 1 1 d . . . . .
F3 F 0.9183(9) 0.7646(6) 0.7556(5) 0.186(3) Uani 1 1 d . . . . .
F4 F 0.9467(10) 0.5897(7) 0.7577(6) 0.214(4) Uani 1 1 d . . . . .
F5 F 0.7530(10) 0.7073(9) 0.7946(7) 0.228(4) Uani 1 1 d . . . . .
F6 F 0.8277(12) 0.6118(8) 0.9089(7) 0.278(6) Uani 1 1 d . . . . .
P3 P 0.8796(2) 0.6841(2) 0.83612(16) 0.0997(7) Uani 1 1 d . . . . .
C20 C 0.5393(5) 0.4097(4) 0.7205(4) 0.0427(11) Uani 1 1 d . . . . .
C1 C 1.1655(5) -0.0032(3) 0.6492(4) 0.0417(10) Uani 1 1 d . . . . .
C7 C 1.1537(4) 0.2022(4) 0.5644(4) 0.0430(11) Uani 1 1 d . . . . .
C14 C 0.6666(5) 0.3864(3) 0.6401(4) 0.0415(10) Uani 1 1 d . . . . .
C12 C 1.2030(5) 0.2211(4) 0.4670(4) 0.0527(12) Uani 1 1 d . . . . .
H10 H 1.188587 0.181629 0.416128 0.063 Uiso 1 1 calc R U . . .
C22 C 0.3907(5) 0.3767(4) 0.8704(4) 0.0607(14) Uani 1 1 d . . . . .
H21 H 0.372823 0.334664 0.924275 0.073 Uiso 1 1 calc R U . . .
C9 C 1.2469(7) 0.3389(5) 0.6164(6) 0.079(2) Uani 1 1 d . . . . .
H7 H 1.260478 0.379441 0.666881 0.095 Uiso 1 1 calc R U . . .
C8 C 1.1761(6) 0.2615(4) 0.6397(5) 0.0624(15) Uani 1 1 d . . . . .
H6 H 1.143493 0.248924 0.705554 0.075 Uiso 1 1 calc R U . . .
C11 C 1.2744(6) 0.2997(5) 0.4454(6) 0.0674(18) Uani 1 1 d . . . . .
H9 H 1.307026 0.313857 0.380000 0.081 Uiso 1 1 calc R U . . .
C10 C 1.2965(6) 0.3568(5) 0.5219(7) 0.077(2) Uani 1 1 d . . . . .
H8 H 1.346200 0.408058 0.507607 0.092 Uiso 1 1 calc R U . . .
C6 C 1.1180(6) -0.0573(5) 0.7296(4) 0.0621(15) Uani 1 1 d . . . . .
H1 H 1.027085 -0.036373 0.762122 0.075 Uiso 1 1 calc R U . . .
C15 C 0.7742(5) 0.4246(4) 0.6503(4) 0.0523(12) Uani 1 1 d . . . . .
H13 H 0.773425 0.456552 0.710579 0.063 Uiso 1 1 calc R U . . .
C5 C 1.2063(9) -0.1435(5) 0.7623(5) 0.081(2) Uani 1 1 d . . . . .
H2 H 1.174563 -0.179831 0.817077 0.097 Uiso 1 1 calc R U . . .
C30 C 0.5488(6) 0.1066(4) 0.7924(6) 0.0729(19) Uani 1 1 d . . . . .
C31 C 0.6439(8) -0.0040(5) 0.8029(7) 0.104(3) Uani 1 1 d . . . . .
H31 H 0.650589 -0.011044 0.870628 0.155 Uiso 1 1 calc R U . . .
H32 H 0.732025 -0.009207 0.761497 0.155 Uiso 1 1 calc R U . . .
H33 H 0.608731 -0.060925 0.783197 0.155 Uiso 1 1 calc R U . . .
C33 C 0.5393(8) 0.1156(6) 0.6852(6) 0.092(2) Uani 1 1 d . . . . .
H39 H 0.492439 0.064991 0.669009 0.138 Uiso 1 1 calc R U . . .
H38 H 0.628746 0.099485 0.643297 0.138 Uiso 1 1 calc R U . . .
H37 H 0.490780 0.188047 0.675513 0.138 Uiso 1 1 calc R U . . .
C17 C 0.8866(5) 0.3688(5) 0.4814(5) 0.0645(16) Uani 1 1 d . . . . .
H15 H 0.959255 0.363996 0.427610 0.077 Uiso 1 1 calc R U . . .
C18 C 0.7803(6) 0.3288(5) 0.4717(4) 0.0640(15) Uani 1 1 d . . . . .
H16 H 0.782328 0.295309 0.411866 0.077 Uiso 1 1 calc R U . . .
C16 C 0.8860(5) 0.4155(4) 0.5697(5) 0.0621(15) Uani 1 1 d . . . . .
H14 H 0.958967 0.441238 0.576778 0.075 Uiso 1 1 calc R U . . .
C19 C 0.6703(5) 0.3379(4) 0.5503(4) 0.0557(13) Uani 1 1 d . . . . .
H17 H 0.598220 0.311250 0.542724 0.067 Uiso 1 1 calc R U . . .
C23 C 0.2942(6) 0.4708(5) 0.8601(5) 0.0680(16) Uani 1 1 d . . . . .
H20 H 0.212111 0.491185 0.906520 0.082 Uiso 1 1 calc R U . . .
C13 C 1.0375(4) 0.0447(4) 0.4879(3) 0.0380(9) Uani 1 1 d . . . . .
H11 H 0.988203 0.099815 0.451757 0.046 Uiso 1 1 calc R U . . .
H12 H 1.126780 0.013755 0.446251 0.046 Uiso 1 1 calc R U . . .
C4 C 1.3377(8) -0.1744(5) 0.7147(6) 0.084(2) Uani 1 1 d . . . . .
H3 H 1.396078 -0.231836 0.737285 0.100 Uiso 1 1 calc R U . . .
C24 C 0.3198(6) 0.5327(4) 0.7825(5) 0.0693(17) Uani 1 1 d . . . . .
H19 H 0.255397 0.595865 0.775644 0.083 Uiso 1 1 calc R U . . .
C3 C 1.3864(7) -0.1228(5) 0.6340(6) 0.077(2) Uani 1 1 d . . . . .
H4 H 1.476835 -0.145576 0.600604 0.092 Uiso 1 1 calc R U . . .
C2 C 1.3002(5) -0.0372(4) 0.6029(5) 0.0584(14) Uani 1 1 d . . . . .
H5 H 1.333709 -0.000819 0.548810 0.070 Uiso 1 1 calc R U . . .
C25 C 0.4400(6) 0.5027(4) 0.7141(5) 0.0602(14) Uani 1 1 d . . . . .
H18 H 0.455703 0.546403 0.661166 0.072 Uiso 1 1 calc R U . . .
C21 C 0.5145(5) 0.3442(4) 0.8007(4) 0.0458(11) Uani 1 1 d . . . . .
C32 C 0.4097(8) 0.1178(7) 0.8584(9) 0.124(4) Uani 1 1 d . . . . .
H35 H 0.347130 0.180228 0.841521 0.186 Uiso 1 1 calc R U . . .
H34 H 0.413566 0.126276 0.926284 0.186 Uiso 1 1 calc R U . . .
H36 H 0.380230 0.053907 0.849260 0.186 Uiso 1 1 calc R U . . .
C26 C 0.6685(8) 0.2220(8) 0.9409(4) 0.103(3) Uani 1 1 d . . . . .
C28 C 0.7891(9) 0.1304(9) 0.9486(6) 0.135(4) Uani 1 1 d . . . . .
H29 H 0.794713 0.124491 1.016545 0.203 Uiso 1 1 calc R U . . .
H28 H 0.870250 0.145021 0.910133 0.203 Uiso 1 1 calc R U . . .
H30 H 0.778872 0.063558 0.923851 0.203 Uiso 1 1 calc R U . . .
C29 C 0.5527(11) 0.2228(15) 1.0281(6) 0.247(10) Uani 1 1 d . . . . .
H25 H 0.582290 0.225697 1.088430 0.370 Uiso 1 1 calc R U . . .
H26 H 0.523031 0.158015 1.024076 0.370 Uiso 1 1 calc R U . . .
H27 H 0.479154 0.285222 1.027164 0.370 Uiso 1 1 calc R U . . .
C27 C 0.7048(15) 0.3281(11) 0.9479(9) 0.190(7) Uani 1 1 d . . . . .
H22 H 0.642214 0.384172 0.923145 0.285 Uiso 1 1 calc R U . . .
H23 H 0.794887 0.321437 0.909346 0.285 Uiso 1 1 calc R U . . .
H24 H 0.700531 0.346258 1.015825 0.285 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 P1 2.2988(11) . ?
Au1 P2 2.3320(12) . ?
P1 C7 1.804(5) . ?
P1 C1 1.816(4) . ?
P1 C13 1.818(5) . ?
P2 C21 1.823(5) . ?
P2 C26 1.863(7) . ?
P2 C30 1.907(7) . ?
F1 P3 1.523(6) . ?
F2 P3 1.512(8) . ?
F3 P3 1.570(7) . ?
F4 P3 1.540(7) . ?
F5 P3 1.524(9) . ?
F6 P3 1.472(7) . ?
C20 C25 1.383(7) . ?
C20 C21 1.407(7) . ?
C20 C14 1.501(7) . ?
C1 C2 1.373(7) . ?
C1 C6 1.374(8) . ?
C7 C12 1.379(7) . ?
C7 C8 1.388(8) . ?
C14 C15 1.373(7) . ?
C14 C19 1.383(7) . ?
C12 C11 1.391(8) . ?
C22 C23 1.391(8) . ?
C22 C21 1.402(7) . ?
C9 C10 1.340(10) . ?
C9 C8 1.376(9) . ?
C11 C10 1.383(11) . ?
C6 C5 1.393(8) . ?
C15 C16 1.410(8) . ?
C5 C4 1.346(10) . ?
C30 C32 1.513(9) . ?
C30 C33 1.514(11) . ?
C30 C31 1.535(8) . ?
C17 C16 1.364(9) . ?
C17 C18 1.370(9) . ?
C18 C19 1.381(8) . ?
C23 C24 1.351(9) . ?
C13 C13 1.539(9) 2_756 ?
C4 C3 1.363(11) . ?
C24 C25 1.366(8) . ?
C3 C2 1.365(8) . ?
C26 C27 1.504(17) . ?
C26 C29 1.510(12) . ?
C26 C28 1.512(11) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 P2 170.79(4) . . ?
C7 P1 C1 104.0(2) . . ?
C7 P1 C13 107.1(2) . . ?
C1 P1 C13 103.1(2) . . ?
C7 P1 Au1 116.13(15) . . ?
C1 P1 Au1 115.23(17) . . ?
C13 P1 Au1 110.23(15) . . ?
C21 P2 C26 108.2(3) . . ?
C21 P2 C30 105.0(3) . . ?
C26 P2 C30 115.1(4) . . ?
C21 P2 Au1 116.51(16) . . ?
C26 P2 Au1 106.3(2) . . ?
C30 P2 Au1 106.06(19) . . ?
F6 P3 F2 96.3(7) . . ?
F6 P3 F1 87.8(5) . . ?
F2 P3 F1 92.2(5) . . ?
F6 P3 F5 92.2(7) . . ?
F2 P3 F5 171.1(6) . . ?
F1 P3 F5 85.7(5) . . ?
F6 P3 F4 92.0(6) . . ?
F2 P3 F4 92.9(6) . . ?
F1 P3 F4 175.0(6) . . ?
F5 P3 F4 89.3(6) . . ?
F6 P3 F3 173.4(7) . . ?
F2 P3 F3 90.2(5) . . ?
F1 P3 F3 90.9(5) . . ?
F5 P3 F3 81.2(5) . . ?
F4 P3 F3 88.7(5) . . ?
C25 C20 C21 118.3(4) . . ?
C25 C20 C14 116.9(4) . . ?
C21 C20 C14 124.8(4) . . ?
C2 C1 C6 118.2(5) . . ?
C2 C1 P1 120.1(4) . . ?
C6 C1 P1 121.6(4) . . ?
C12 C7 C8 119.8(5) . . ?
C12 C7 P1 123.2(4) . . ?
C8 C7 P1 117.0(4) . . ?
C15 C14 C19 119.1(5) . . ?
C15 C14 C20 120.4(5) . . ?
C19 C14 C20 120.0(4) . . ?
C7 C12 C11 119.5(6) . . ?
C23 C22 C21 120.9(5) . . ?
C10 C9 C8 121.0(7) . . ?
C9 C8 C7 119.6(6) . . ?
C10 C11 C12 119.5(6) . . ?
C9 C10 C11 120.6(6) . . ?
C1 C6 C5 119.8(6) . . ?
C14 C15 C16 120.3(5) . . ?
C4 C5 C6 120.1(7) . . ?
C32 C30 C33 110.0(7) . . ?
C32 C30 C31 110.6(6) . . ?
C33 C30 C31 108.5(6) . . ?
C32 C30 P2 114.8(5) . . ?
C33 C30 P2 104.5(4) . . ?
C31 C30 P2 108.1(5) . . ?
C16 C17 C18 120.1(5) . . ?
C17 C18 C19 120.5(6) . . ?
C17 C16 C15 119.7(5) . . ?
C18 C19 C14 120.4(5) . . ?
C24 C23 C22 119.9(5) . . ?
C13 C13 P1 110.6(4) 2_756 . ?
C5 C4 C3 121.0(6) . . ?
C23 C24 C25 120.1(5) . . ?
C4 C3 C2 118.9(6) . . ?
C3 C2 C1 122.0(6) . . ?
C24 C25 C20 122.4(5) . . ?
C22 C21 C20 118.4(4) . . ?
C22 C21 P2 118.8(4) . . ?
C20 C21 P2 122.8(3) . . ?
C27 C26 C29 107.0(10) . . ?
C27 C26 C28 108.7(9) . . ?
C29 C26 C28 109.2(8) . . ?
C27 C26 P2 104.5(6) . . ?
C29 C26 P2 116.9(7) . . ?
C28 C26 P2 110.2(5) . . ?

_refine_diff_density_max         1.681
_refine_diff_density_min         -1.254
_refine_diff_density_rms         0.344

####################################################################### 
# 
# 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_AMAD174_0ma_a
_database_code_depnum_ccdc_archive 'CCDC 1986650'
loop_
_audit_author_name
_audit_author_address
'Abdul Malik Abdul Malik Peedikakkal'
;King Fahd University of Petroleum and Minerals
Saudi Arabia
;
_audit_update_record             
;
2022-03-28 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C68 H Au2 F12 N P6'
_chemical_formula_weight         1639.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   24.428(7)
_cell_length_b                   11.823(4)
_cell_length_c                   26.342(11)
_cell_angle_alpha                90
_cell_angle_beta                 117.286(5)
_cell_angle_gamma                90
_cell_volume                     6761(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_F_000             3088
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.400
_exptl_absorpt_coefficient_mu    4.548
_shelx_estimated_absorpt_T_min   0.263
_shelx_estimated_absorpt_T_max   0.263
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            35044
_diffrn_reflns_av_unetI/netI     0.0633
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.314
_diffrn_reflns_theta_max         34.326
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.701
_diffrn_measured_fraction_theta_full 0.503
_diffrn_reflns_Laue_measured_fraction_max 0.701
_diffrn_reflns_Laue_measured_fraction_full 0.503
_diffrn_reflns_point_group_measured_fraction_max 0.701
_diffrn_reflns_point_group_measured_fraction_full 0.503
_reflns_number_total             9926
_reflns_number_gt                6944
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.1024P)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     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.0014(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9926
_refine_ls_number_parameters     400
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0506
_refine_ls_wR_factor_ref         0.1632
_refine_ls_wR_factor_gt          0.1449
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_restrained_S_all      0.973
_refine_ls_shift/su_max          13.683
_refine_ls_shift/su_mean         0.779

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 0.35153(2) 0.15390(2) 0.67843(2) 0.03541(11) Uani 1 1 d . . . . .
P2 P 0.38411(6) 0.29462(12) 0.74658(6) 0.0312(3) Uani 1 1 d . . . . .
P1 P 0.32221(7) 0.00078(13) 0.61582(7) 0.0336(3) Uani 1 1 d . . . . .
P3 P 0.45423(16) 0.3048(2) 0.38997(14) 0.0654(6) Uani 1 1 d . . . . .
C19 C 0.2631(3) 0.3564(7) 0.7086(4) 0.0480(17) Uani 1 1 d . . . . .
H19 H 0.255485 0.279528 0.701259 0.058 Uiso 1 1 calc R U . . .
C12 C 0.3039(3) 0.2886(6) 0.5702(3) 0.0421(12) Uani 1 1 d . . . . .
H12 H 0.268319 0.246249 0.559923 0.051 Uiso 1 1 calc R U . . .
C7 C 0.3550(3) 0.2392(5) 0.5669(3) 0.0361(10) Uani 1 1 d . . . . .
C1 C 0.3314(3) 0.0247(5) 0.5519(3) 0.0371(11) Uani 1 1 d . . . . .
C15 C 0.3340(3) 0.5103(7) 0.7419(4) 0.0507(16) Uani 1 1 d . . . . .
H15 H 0.373891 0.538457 0.756616 0.061 Uiso 1 1 calc R U . . .
C10 C 0.3582(6) 0.4624(6) 0.6036(4) 0.068(3) Uani 1 1 d . . . . .
H10 H 0.360152 0.536257 0.616459 0.082 Uiso 1 1 calc R U . . .
C8 C 0.4078(4) 0.3075(8) 0.5837(4) 0.0521(17) Uani 1 1 d . . . . .
H8 H 0.443225 0.277622 0.584104 0.062 Uiso 1 1 calc R U . . .
N1 N 0.500000 0.3060(8) 0.750000 0.0445(16) Uani 1 2 d S T P . .
H1A H 0.514643 0.261690 0.780721 0.053 Uiso 0.5 1 calc R U P . .
H1B H 0.485357 0.261690 0.719278 0.053 Uiso 0.5 1 calc R U P . .
C9 C 0.4073(5) 0.4181(8) 0.5997(4) 0.062(2) Uani 1 1 d . . . . .
H9 H 0.441451 0.463531 0.608004 0.074 Uiso 1 1 calc R U . . .
C29 C 0.3848(8) -0.1251(13) 0.7158(5) 0.079(4) Uani 1 1 d . . . . .
H29A H 0.346414 -0.105639 0.715371 0.119 Uiso 1 1 calc R U . . .
H29B H 0.416600 -0.075617 0.741437 0.119 Uiso 1 1 calc R U . . .
H29C H 0.395153 -0.201906 0.728256 0.119 Uiso 1 1 calc R U . . .
C16 C 0.2843(5) 0.5840(9) 0.7291(6) 0.072(3) Uani 1 1 d . . . . .
H16 H 0.292134 0.660291 0.738155 0.086 Uiso 1 1 calc R U . . .
C13 C 0.2007(4) 0.0649(9) 0.5661(5) 0.065(2) Uani 1 1 d . . . . .
H13A H 0.176665 0.082019 0.585544 0.098 Uiso 1 1 calc R U . . .
H13B H 0.173736 0.051403 0.526444 0.098 Uiso 1 1 calc R U . . .
H13C H 0.227255 0.127614 0.569841 0.098 Uiso 1 1 calc R U . . .
C4 C 0.3632(5) 0.0387(8) 0.4623(4) 0.061(2) Uani 1 1 d . . . . .
H4 H 0.374038 0.043201 0.432862 0.073 Uiso 1 1 calc R U . . .
C2 C 0.3256(5) -0.0664(7) 0.5170(4) 0.0555(18) Uani 1 1 d . . . . .
H2 H 0.308859 -0.133052 0.522611 0.067 Uiso 1 1 calc R U . . .
C14 C 0.2397(3) -0.0408(6) 0.5927(4) 0.0453(14) Uani 1 1 d . . . . .
F1 F 0.5254(6) 0.290(2) 0.4294(8) 0.220(11) Uani 1 1 d . . . . .
C6 C 0.3507(3) 0.1305(6) 0.5392(3) 0.0365(10) Uani 1 1 d . . . . .
C3 C 0.3434(6) -0.0638(8) 0.4742(5) 0.064(2) Uani 1 1 d . . . . .
H3 H 0.342146 -0.128777 0.453813 0.077 Uiso 1 1 calc R U . . .
F2 F 0.4345(9) 0.2400(18) 0.4291(8) 0.215(9) Uani 1 1 d . . . . .
C18 C 0.2138(4) 0.4292(12) 0.6953(5) 0.068(3) Uani 1 1 d . . . . .
H18 H 0.173970 0.400969 0.680980 0.082 Uiso 1 1 calc R U . . .
C11 C 0.3062(5) 0.4006(7) 0.5889(4) 0.0552(19) Uani 1 1 d . . . . .
H11 H 0.272555 0.432085 0.591155 0.066 Uiso 1 1 calc R U . . .
C21 C 0.4483(2) 0.3768(5) 0.7490(3) 0.0340(10) Uani 1 1 d . . . . .
H21A H 0.433177 0.426161 0.715940 0.041 Uiso 1 1 calc R U . . .
H21B H 0.464433 0.424270 0.782801 0.041 Uiso 1 1 calc R U . . .
C17 C 0.2250(5) 0.5472(11) 0.7038(5) 0.069(3) Uani 1 1 d . . . . .
H17 H 0.192485 0.598132 0.692323 0.083 Uiso 1 1 calc R U . . .
C00I C 0.3231(3) 0.3950(6) 0.7325(3) 0.0375(12) Uani 1 1 d . . . . .
C22 C 0.4119(3) 0.2444(6) 0.8199(3) 0.0387(11) Uani 1 1 d . . . . .
C23 C 0.4178(4) 0.3192(9) 0.8627(3) 0.0507(16) Uani 1 1 d . . . . .
H23 H 0.406738 0.394616 0.853766 0.061 Uiso 1 1 calc R U . . .
C5 C 0.3667(4) 0.1321(9) 0.4937(4) 0.0513(16) Uani 1 1 d . . . . .
H5 H 0.380148 0.199668 0.485035 0.062 Uiso 1 1 calc R U . . .
C24 C 0.4313(4) 0.1328(8) 0.8345(4) 0.0488(16) Uani 1 1 d . . . . .
H24 H 0.428564 0.082604 0.806230 0.059 Uiso 1 1 calc R U . . .
C28 C 0.3787(4) -0.1126(7) 0.6567(4) 0.058(2) Uani 1 1 d . . . . .
C27 C 0.4401(4) 0.2828(11) 0.9185(4) 0.064(2) Uani 1 1 d . . . . .
H27 H 0.443094 0.332690 0.946964 0.077 Uiso 1 1 calc R U . . .
C26 C 0.4582(5) 0.1701(10) 0.9317(5) 0.061(2) Uani 1 1 d . . . . .
H26 H 0.472895 0.144892 0.969139 0.074 Uiso 1 1 calc R U . . .
C25 C 0.4544(5) 0.0960(9) 0.8901(4) 0.060(2) Uani 1 1 d . . . . .
H25 H 0.467453 0.021580 0.899362 0.073 Uiso 1 1 calc R U . . .
F3 F 0.4702(8) 0.3534(11) 0.3454(7) 0.149(5) Uani 1 1 d . . . . .
C30 C 0.3674(7) -0.2313(8) 0.6311(6) 0.077(3) Uani 1 1 d . . . . .
H30A H 0.393748 -0.284157 0.659431 0.116 Uiso 1 1 calc R U . . .
H30B H 0.376330 -0.232452 0.599139 0.116 Uiso 1 1 calc R U . . .
H30C H 0.325182 -0.251929 0.618484 0.116 Uiso 1 1 calc R U . . .
C32 C 0.2133(6) -0.1328(12) 0.5459(6) 0.078(3) Uani 1 1 d . . . . .
H32A H 0.246500 -0.172015 0.543652 0.117 Uiso 1 1 calc R U . . .
H32B H 0.187544 -0.098007 0.509785 0.117 Uiso 1 1 calc R U . . .
H32C H 0.189378 -0.185467 0.555270 0.117 Uiso 1 1 calc R U . . .
C33 C 0.2331(6) -0.0752(13) 0.6447(5) 0.078(3) Uani 1 1 d . . . . .
H33A H 0.222540 -0.010198 0.660247 0.117 Uiso 1 1 calc R U . . .
H33B H 0.271357 -0.106206 0.672864 0.117 Uiso 1 1 calc R U . . .
H33C H 0.201253 -0.131103 0.634189 0.117 Uiso 1 1 calc R U . . .
C31 C 0.4408(5) -0.0664(12) 0.6615(7) 0.084(4) Uani 1 1 d . . . . .
H31A H 0.449827 0.005523 0.680532 0.126 Uiso 1 1 calc R U . . .
H31B H 0.437419 -0.057559 0.623919 0.126 Uiso 1 1 calc R U . . .
H31C H 0.473336 -0.118699 0.682920 0.126 Uiso 1 1 calc R U . . .
F5 F 0.3808(4) 0.3236(6) 0.3518(4) 0.1111(17) Uani 1 1 d . . . . .
F4 F 0.4408(4) 0.1852(7) 0.3556(4) 0.1149(17) Uani 1 1 d . . . . .
F6 F 0.4466(4) 0.4324(6) 0.3908(4) 0.1187(18) 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 P2 2.3052(15) . ?
Au1 P1 2.3297(16) . ?
P2 C00I 1.806(6) . ?
P2 C21 1.821(6) . ?
P2 C22 1.828(7) . ?
P1 C1 1.821(7) . ?
P1 C14 1.884(7) . ?
P1 C28 1.870(9) . ?
P3 F1 1.575(14) . ?
P3 F2 1.528(11) . ?
P3 F6 1.521(8) . ?
P3 F3 1.509(13) . ?
P3 F5 1.620(8) . ?
P3 F4 1.630(8) . ?
C19 C00I 1.381(9) . ?
C19 C18 1.387(12) . ?
C19 H19 0.9300 . ?
C12 C7 1.418(9) . ?
C12 C11 1.404(11) . ?
C12 H12 0.9300 . ?
C7 C8 1.410(9) . ?
C7 C6 1.458(9) . ?
C1 C2 1.380(9) . ?
C1 C6 1.429(9) . ?
C15 C00I 1.390(10) . ?
C15 C16 1.405(12) . ?
C15 H15 0.9300 . ?
C10 C9 1.354(19) . ?
C10 C11 1.359(16) . ?
C10 H10 0.9300 . ?
C8 C9 1.375(13) . ?
C8 H8 0.9300 . ?
N1 C21 1.505(8) 2_656 ?
N1 C21 1.505(8) . ?
N1 H1A 0.8900 . ?
N1 H1B 0.8900 . ?
C9 H9 0.9300 . ?
C29 C28 1.501(18) . ?
C29 H29A 0.9605 . ?
C29 H29B 0.9605 . ?
C29 H29C 0.9605 . ?
C16 C17 1.358(17) . ?
C16 H16 0.9300 . ?
C13 C14 1.533(13) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C4 C3 1.392(14) . ?
C4 C5 1.357(13) . ?
C4 H4 0.9300 . ?
C2 C3 1.382(12) . ?
C2 H2 0.9300 . ?
C14 C33 1.508(12) . ?
C14 C32 1.545(14) . ?
C6 C5 1.421(10) . ?
C3 H3 0.9300 . ?
C18 C17 1.420(19) . ?
C18 H18 0.9300 . ?
C11 H11 0.9300 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C17 H17 0.9300 . ?
C22 C24 1.395(11) . ?
C22 C23 1.387(10) . ?
C23 C27 1.382(13) . ?
C23 H23 0.9300 . ?
C5 H5 0.9300 . ?
C24 C25 1.376(13) . ?
C24 H24 0.9300 . ?
C28 C30 1.527(13) . ?
C28 C31 1.562(15) . ?
C27 C26 1.396(16) . ?
C27 H27 0.9300 . ?
C26 C25 1.374(16) . ?
C26 H26 0.9300 . ?
C25 H25 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9606 . ?
C33 H33B 0.9607 . ?
C33 H33C 0.9606 . ?
C31 H31A 0.9601 . ?
C31 H31B 0.9601 . ?
C31 H31C 0.9601 . ?

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
P2 Au1 P1 175.18(6) . . ?
C00I P2 C21 105.9(3) . . ?
C00I P2 C22 107.5(3) . . ?
C21 P2 C22 103.9(3) . . ?
C00I P2 Au1 110.9(2) . . ?
C21 P2 Au1 113.4(2) . . ?
C22 P2 Au1 114.6(2) . . ?
C1 P1 C14 108.0(3) . . ?
C1 P1 C28 105.8(4) . . ?
C14 P1 C28 113.4(4) . . ?
C1 P1 Au1 113.9(2) . . ?
C14 P1 Au1 111.6(2) . . ?
C28 P1 Au1 104.1(3) . . ?
F1 P3 F2 95.3(9) . . ?
F1 P3 F6 102.1(11) . . ?
F2 P3 F6 114.2(9) . . ?
F1 P3 F3 87.4(8) . . ?
F2 P3 F3 171.3(11) . . ?
F6 P3 F3 73.2(6) . . ?
F1 P3 F5 177.3(10) . . ?
F2 P3 F5 83.5(8) . . ?
F6 P3 F5 76.4(4) . . ?
F3 P3 F5 94.2(7) . . ?
F1 P3 F4 98.5(11) . . ?
F2 P3 F4 83.9(10) . . ?
F6 P3 F4 150.9(5) . . ?
F3 P3 F4 87.5(6) . . ?
F5 P3 F4 83.7(4) . . ?
C00I C19 C18 121.8(9) . . ?
C00I C19 H19 119.0 . . ?
C18 C19 H19 119.2 . . ?
C7 C12 C11 121.0(7) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.3 . . ?
C12 C7 C8 116.6(7) . . ?
C12 C7 C6 122.1(6) . . ?
C8 C7 C6 120.6(6) . . ?
C2 C1 C6 118.1(6) . . ?
C2 C1 P1 118.4(6) . . ?
C6 C1 P1 123.1(5) . . ?
C00I C15 C16 119.5(8) . . ?
C00I C15 H15 120.4 . . ?
C16 C15 H15 120.1 . . ?
C9 C10 C11 120.9(7) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.3 . . ?
C9 C8 C7 120.4(8) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.7 . . ?
C21 N1 C21 112.4(8) 2_656 . ?
C21 N1 H1A 109.3 2_656 . ?
C21 N1 H1A 108.9 . . ?
C21 N1 H1B 108.9 2_656 . ?
C21 N1 H1B 109.3 . . ?
H1A N1 H1B 107.9 . . ?
C10 C9 C8 121.6(8) . . ?
C10 C9 H9 119.1 . . ?
C8 C9 H9 119.3 . . ?
C28 C29 H29A 108.6 . . ?
C28 C29 H29B 110.4 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.4 . . ?
H29B C29 H29C 109.4 . . ?
C17 C16 C15 121.9(10) . . ?
C17 C16 H16 118.9 . . ?
C15 C16 H16 119.2 . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 109.5 . . ?
C14 C13 H13C 109.7 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C3 C4 C5 120.3(8) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 120.0 . . ?
C1 C2 C3 123.4(8) . . ?
C1 C2 H2 118.2 . . ?
C3 C2 H2 118.4 . . ?
C33 C14 C13 109.3(9) . . ?
C33 C14 C32 110.8(9) . . ?
C13 C14 C32 105.4(9) . . ?
C33 C14 P1 108.7(6) . . ?
C13 C14 P1 106.5(5) . . ?
C32 C14 P1 115.9(7) . . ?
C5 C6 C1 117.2(7) . . ?
C5 C6 C7 115.2(7) . . ?
C1 C6 C7 127.6(6) . . ?
C4 C3 C2 118.3(8) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.9 . . ?
C19 C18 C17 119.2(8) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.2 . . ?
C10 C11 C12 119.3(9) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.4 . . ?
N1 C21 P2 114.0(5) . . ?
N1 C21 H21A 108.6 . . ?
P2 C21 H21A 108.6 . . ?
N1 C21 H21B 108.9 . . ?
P2 C21 H21B 109.0 . . ?
H21A C21 H21B 107.7 . . ?
C16 C17 C18 118.5(8) . . ?
C16 C17 H17 120.4 . . ?
C18 C17 H17 121.1 . . ?
C15 C00I C19 118.8(6) . . ?
C15 C00I P2 122.4(5) . . ?
C19 C00I P2 118.7(6) . . ?
C24 C22 C23 118.9(7) . . ?
C24 C22 P2 120.8(6) . . ?
C23 C22 P2 120.1(6) . . ?
C22 C23 C27 120.6(10) . . ?
C22 C23 H23 119.3 . . ?
C27 C23 H23 120.1 . . ?
C6 C5 C4 122.4(8) . . ?
C6 C5 H5 118.5 . . ?
C4 C5 H5 119.1 . . ?
C22 C24 C25 120.9(9) . . ?
C22 C24 H24 119.0 . . ?
C25 C24 H24 120.0 . . ?
C29 C28 C30 106.3(10) . . ?
C29 C28 C31 108.7(11) . . ?
C30 C28 C31 109.2(10) . . ?
C29 C28 P1 111.3(8) . . ?
C30 C28 P1 117.9(8) . . ?
C31 C28 P1 103.2(7) . . ?
C26 C27 C23 119.2(10) . . ?
C26 C27 H27 120.7 . . ?
C23 C27 H27 120.1 . . ?
C27 C26 C25 120.8(10) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.9 . . ?
C24 C25 C26 119.5(10) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 120.5 . . ?
C28 C30 H30A 110.0 . . ?
C28 C30 H30B 109.6 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 108.8 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C14 C32 H32A 109.4 . . ?
C14 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C14 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C14 C33 H33A 109.5 . . ?
C14 C33 H33B 109.9 . . ?
H33A C33 H33B 109.4 . . ?
C14 C33 H33C 109.3 . . ?
H33A C33 H33C 109.4 . . ?
H33B C33 H33C 109.4 . . ?
C28 C31 H31A 109.6 . . ?
C28 C31 H31B 109.0 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.9 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.4 . . ?

_refine_diff_density_max         1.224
_refine_diff_density_min         -1.358
_refine_diff_density_rms         0.172

####################################################################### 
# 
# 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_AD2
_database_code_depnum_ccdc_archive 'CCDC 2063121'
loop_
_audit_author_name
_audit_author_address
'Abdul Malik Abdul Malik Peedikakkal'
;King Fahd University of Petroleum and Minerals
Saudi Arabia
;
_audit_update_record             
;
2022-03-28 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C67 H Au2 F12 P6'
_chemical_formula_weight         1613.43

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                   24.3842(11)
_cell_length_b                   11.8498(5)
_cell_length_c                   26.2952(16)
_cell_angle_alpha                90
_cell_angle_beta                 117.195(2)
_cell_angle_gamma                90
_cell_volume                     6758.0(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_F_000             3036
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.549
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            31109
_diffrn_reflns_av_unetI/netI     0.0884
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.892
_diffrn_reflns_theta_max         32.103
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             11489
_reflns_number_gt                7876
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_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)+(0.0385P)²+15.3225P] 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     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.00017(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         11489
_refine_ls_number_parameters     400
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0906
_refine_ls_R_factor_gt           0.0492
_refine_ls_wR_factor_ref         0.1179
_refine_ls_wR_factor_gt          0.1035
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.009
_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 0.64860(2) 0.15428(2) 0.32142(2) 0.03134(7) Uani 1 1 d . . . . .
P2 P 0.61593(5) 0.29472(9) 0.25308(5) 0.0259(2) Uani 1 1 d . . . . .
P1 P 0.67805(5) 0.00152(9) 0.38442(5) 0.0276(2) Uani 1 1 d . . . . .
P3 P 0.54540(9) 0.69581(14) 0.11035(8) 0.0594(4) Uani 1 1 d . . . . .
C1 C 0.500000 0.3034(5) 0.250000 0.0306(13) Uani 1 2 d S T P . .
H1A H 0.483972 0.255303 0.216441 0.037 Uiso 0.5 1 calc R U P . .
H1B H 0.516028 0.255305 0.283559 0.037 Uiso 0.5 1 calc R U P . .
C21 C 0.6452(2) 0.2418(3) 0.43363(19) 0.0296(9) Uani 1 1 d . . . . .
C9 C 0.67727(19) 0.3948(4) 0.26718(19) 0.0286(9) Uani 1 1 d . . . . .
C3 C 0.5880(2) 0.2451(4) 0.1801(2) 0.0319(9) Uani 1 1 d . . . . .
C26 C 0.6958(2) 0.2881(4) 0.4298(2) 0.0371(11) Uani 1 1 d . . . . .
H26 H 0.731245 0.245213 0.439911 0.045 Uiso 1 1 calc R U . . .
C20 C 0.6490(2) 0.1309(4) 0.4613(2) 0.0310(9) Uani 1 1 d . . . . .
C10 C 0.7375(2) 0.3556(5) 0.2914(2) 0.0414(12) Uani 1 1 d . . . . .
H10 H 0.745339 0.278884 0.298443 0.050 Uiso 1 1 calc R U . . .
C28 C 0.6202(3) -0.1116(4) 0.3431(2) 0.0470(13) Uani 1 1 d . . . . .
C15 C 0.6681(2) 0.0269(4) 0.4479(2) 0.0310(9) Uani 1 1 d . . . . .
C14 C 0.6667(2) 0.5092(4) 0.2577(2) 0.0437(12) Uani 1 1 d . . . . .
H14 H 0.626541 0.536666 0.241044 0.052 Uiso 1 1 calc R U . . .
C4 C 0.5687(3) 0.1343(4) 0.1657(2) 0.0423(12) Uani 1 1 d . . . . .
H4 H 0.571516 0.084026 0.193971 0.051 Uiso 1 1 calc R U . . .
C22 C 0.5930(2) 0.3077(4) 0.4173(2) 0.0435(12) Uani 1 1 d . . . . .
H22 H 0.558246 0.277750 0.418388 0.052 Uiso 1 1 calc R U . . .
C25 C 0.6933(3) 0.3985(4) 0.4109(2) 0.0478(13) Uani 1 1 d . . . . .
H25 H 0.726934 0.428744 0.407926 0.057 Uiso 1 1 calc R U . . .
C23 C 0.5920(3) 0.4180(5) 0.3995(3) 0.0562(16) Uani 1 1 d . . . . .
H23 H 0.556916 0.462025 0.389205 0.067 Uiso 1 1 calc R U . . .
C24 C 0.6423(3) 0.4624(4) 0.3969(3) 0.0587(17) Uani 1 1 d . . . . .
H24 H 0.641636 0.536849 0.385424 0.070 Uiso 1 1 calc R U . . .
C8 C 0.5830(2) 0.3194(5) 0.1374(2) 0.0425(12) Uani 1 1 d . . . . .
H8 H 0.595247 0.394163 0.146396 0.051 Uiso 1 1 calc R U . . .
C19 C 0.6327(3) 0.1323(4) 0.5060(2) 0.0413(12) Uani 1 1 d . . . . .
H19 H 0.619030 0.199629 0.514501 0.050 Uiso 1 1 calc R U . . .
C16 C 0.6725(3) -0.0664(4) 0.4829(2) 0.0440(12) Uani 1 1 d . . . . .
H16 H 0.687155 -0.134377 0.476187 0.053 Uiso 1 1 calc R U . . .
C11 C 0.7862(2) 0.4299(6) 0.3052(3) 0.0584(17) Uani 1 1 d . . . . .
H11 H 0.826405 0.403069 0.320323 0.070 Uiso 1 1 calc R U . . .
C7 C 0.5595(3) 0.2824(6) 0.0811(3) 0.0561(15) Uani 1 1 d . . . . .
H7 H 0.556139 0.332184 0.052410 0.067 Uiso 1 1 calc R U . . .
C33 C 0.7994(3) 0.0673(5) 0.4338(3) 0.0619(17) Uani 1 1 d . . . . .
H33A H 0.841851 0.051695 0.444158 0.093 Uiso 1 1 calc R U . . .
H33B H 0.795623 0.088921 0.467217 0.093 Uiso 1 1 calc R U . . .
H33C H 0.785056 0.127687 0.406408 0.093 Uiso 1 1 calc R U . . .
C12 C 0.7743(3) 0.5442(6) 0.2963(3) 0.0639(18) Uani 1 1 d . . . . .
H12 H 0.806955 0.594476 0.306577 0.077 Uiso 1 1 calc R U . . .
C30 C 0.6157(4) -0.1214(5) 0.2830(3) 0.071(2) Uani 1 1 d . . . . .
H30A H 0.585635 -0.177584 0.261476 0.107 Uiso 1 1 calc R U . . .
H30B H 0.655134 -0.142836 0.286122 0.107 Uiso 1 1 calc R U . . .
H30C H 0.603642 -0.050000 0.263810 0.107 Uiso 1 1 calc R U . . .
C5 C 0.5453(3) 0.0981(5) 0.1094(3) 0.0526(15) Uani 1 1 d . . . . .
H5 H 0.532197 0.023891 0.099887 0.063 Uiso 1 1 calc R U . . .
C18 C 0.6361(3) 0.0389(5) 0.5374(3) 0.0527(14) Uani 1 1 d . . . . .
H18 H 0.624748 0.042979 0.566648 0.063 Uiso 1 1 calc R U . . .
C6 C 0.5414(3) 0.1718(6) 0.0680(3) 0.0562(16) Uani 1 1 d . . . . .
H6 H 0.526407 0.146827 0.030491 0.067 Uiso 1 1 calc R U . . .
C31 C 0.7678(3) -0.0767(8) 0.3559(3) 0.085(2) Uani 1 1 d . . . . .
H31A H 0.751220 -0.020128 0.326549 0.127 Uiso 1 1 calc R U . . .
H31B H 0.746103 -0.146404 0.341651 0.127 Uiso 1 1 calc R U . . .
H31C H 0.810755 -0.087484 0.366670 0.127 Uiso 1 1 calc R U . . .
C34 C 0.7855(3) -0.1316(6) 0.4536(3) 0.075(2) Uani 1 1 d . . . . .
H34A H 0.762286 -0.199752 0.438854 0.112 Uiso 1 1 calc R U . . .
H34B H 0.781711 -0.107440 0.486673 0.112 Uiso 1 1 calc R U . . .
H34C H 0.828122 -0.145497 0.463977 0.112 Uiso 1 1 calc R U . . .
C29 C 0.5586(3) -0.0677(6) 0.3370(3) 0.075(2) Uani 1 1 d . . . . .
H29A H 0.525988 -0.116950 0.312300 0.113 Uiso 1 1 calc R U . . .
H29B H 0.551351 0.006855 0.321051 0.113 Uiso 1 1 calc R U . . .
H29C H 0.559609 -0.065570 0.373975 0.113 Uiso 1 1 calc R U . . .
C2 C 0.55200(19) 0.3765(4) 0.2509(2) 0.0281(9) Uani 1 1 d . . . . .
H2A H 0.567069 0.425646 0.283993 0.034 Uiso 1 1 calc R U . . .
H2B H 0.535689 0.423828 0.217018 0.034 Uiso 1 1 calc R U . . .
C32 C 0.7605(2) -0.0389(4) 0.4074(2) 0.0401(11) Uani 1 1 d . . . . .
C17 C 0.6563(3) -0.0612(5) 0.5259(3) 0.0581(16) Uani 1 1 d . . . . .
H17 H 0.658903 -0.125204 0.547431 0.070 Uiso 1 1 calc R U . . .
C13 C 0.7160(3) 0.5836(5) 0.2729(3) 0.0621(17) Uani 1 1 d . . . . .
H13 H 0.708664 0.660631 0.266913 0.074 Uiso 1 1 calc R U . . .
C27 C 0.6323(4) -0.2303(5) 0.3696(3) 0.085(3) Uani 1 1 d . . . . .
H27A H 0.626252 -0.229794 0.403226 0.127 Uiso 1 1 calc R U . . .
H27B H 0.673955 -0.252211 0.379806 0.127 Uiso 1 1 calc R U . . .
H27C H 0.604310 -0.283025 0.342435 0.127 Uiso 1 1 calc R U . . .
F4 F 0.4768(3) 0.7129(9) 0.0740(3) 0.182(3) Uani 1 1 d . . . . .
F1 F 0.6153(3) 0.6798(8) 0.1461(4) 0.201(4) Uani 1 1 d . . . . .
F5 F 0.5599(4) 0.7445(10) 0.0659(4) 0.240(6) Uani 1 1 d . . . . .
F2 F 0.5293(4) 0.6448(9) 0.1559(4) 0.213(5) Uani 1 1 d . . . . .
F3 F 0.5420(6) 0.5826(7) 0.0902(7) 0.289(7) Uani 1 1 d . . . . .
F6 F 0.5536(5) 0.8019(7) 0.1401(5) 0.242(6) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P2 2.3075(11) . ?
Au1 P1 2.3344(10) . ?
P2 C9 1.810(4) . ?
P2 C2 1.814(4) . ?
P2 C3 1.816(5) . ?
P1 C15 1.820(5) . ?
P1 C32 1.877(5) . ?
P1 C28 1.889(5) . ?
P3 F3 1.431(7) . ?
P3 F6 1.445(7) . ?
P3 F5 1.484(6) . ?
P3 F4 1.513(6) . ?
P3 F1 1.536(7) . ?
P3 F2 1.544(8) . ?
C1 C2 1.527(5) 2_655 ?
C1 C2 1.527(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C21 C22 1.385(7) . ?
C21 C26 1.397(7) . ?
C21 C20 1.484(6) . ?
C9 C14 1.381(6) . ?
C9 C10 1.388(6) . ?
C3 C4 1.387(7) . ?
C3 C8 1.389(7) . ?
C26 C25 1.390(7) . ?
C26 H26 0.9300 . ?
C20 C19 1.403(7) . ?
C20 C15 1.416(6) . ?
C10 C11 1.385(8) . ?
C10 H10 0.9300 . ?
C28 C29 1.528(9) . ?
C28 C27 1.537(7) . ?
C28 C30 1.539(9) . ?
C15 C16 1.410(6) . ?
C14 C13 1.394(7) . ?
C14 H14 0.9300 . ?
C4 C5 1.391(8) . ?
C4 H4 0.9300 . ?
C22 C23 1.385(8) . ?
C22 H22 0.9300 . ?
C25 C24 1.355(9) . ?
C25 H25 0.9300 . ?
C23 C24 1.366(9) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C8 C7 1.393(8) . ?
C8 H8 0.9300 . ?
C19 C18 1.361(7) . ?
C19 H19 0.9300 . ?
C16 C17 1.361(8) . ?
C16 H16 0.9300 . ?
C11 C12 1.382(9) . ?
C11 H11 0.9300 . ?
C7 C6 1.376(9) . ?
C7 H7 0.9300 . ?
C33 C32 1.538(8) . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C12 C13 1.349(9) . ?
C12 H12 0.9300 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C5 C6 1.364(9) . ?
C5 H5 0.9300 . ?
C18 C17 1.370(8) . ?
C18 H18 0.9300 . ?
C6 H6 0.9300 . ?
C31 C32 1.514(8) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C34 C32 1.542(8) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C17 H17 0.9300 . ?
C13 H13 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 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
P2 Au1 P1 175.29(4) . . ?
C9 P2 C2 105.9(2) . . ?
C9 P2 C3 107.7(2) . . ?
C2 P2 C3 103.7(2) . . ?
C9 P2 Au1 110.75(14) . . ?
C2 P2 Au1 113.35(15) . . ?
C3 P2 Au1 114.74(16) . . ?
C15 P1 C32 108.6(2) . . ?
C15 P1 C28 105.5(2) . . ?
C32 P1 C28 114.4(2) . . ?
C15 P1 Au1 113.34(14) . . ?
C32 P1 Au1 111.29(17) . . ?
C28 P1 Au1 103.62(17) . . ?
F3 P3 F6 170.5(9) . . ?
F3 P3 F5 93.8(8) . . ?
F6 P3 F5 93.6(7) . . ?
F3 P3 F4 91.8(7) . . ?
F6 P3 F4 93.7(6) . . ?
F5 P3 F4 92.4(5) . . ?
F3 P3 F1 88.3(6) . . ?
F6 P3 F1 86.3(6) . . ?
F5 P3 F1 86.2(5) . . ?
F4 P3 F1 178.6(5) . . ?
F3 P3 F2 85.9(7) . . ?
F6 P3 F2 86.7(6) . . ?
F5 P3 F2 179.1(6) . . ?
F4 P3 F2 86.8(5) . . ?
F1 P3 F2 94.6(5) . . ?
C2 C1 C2 110.9(5) 2_655 . ?
C2 C1 H1A 109.5 2_655 . ?
C2 C1 H1A 109.5 . . ?
C2 C1 H1B 109.5 2_655 . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 108.0 . . ?
C22 C21 C26 118.3(4) . . ?
C22 C21 C20 119.6(4) . . ?
C26 C21 C20 121.6(4) . . ?
C14 C9 C10 118.9(4) . . ?
C14 C9 P2 122.5(3) . . ?
C10 C9 P2 118.5(4) . . ?
C4 C3 C8 119.1(5) . . ?
C4 C3 P2 120.7(4) . . ?
C8 C3 P2 120.1(4) . . ?
C25 C26 C21 120.0(5) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
C19 C20 C15 118.0(4) . . ?
C19 C20 C21 114.9(4) . . ?
C15 C20 C21 127.1(4) . . ?
C11 C10 C9 120.5(5) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C29 C28 C27 109.5(6) . . ?
C29 C28 C30 108.3(5) . . ?
C27 C28 C30 107.8(5) . . ?
C29 C28 P1 105.0(4) . . ?
C27 C28 P1 116.7(4) . . ?
C30 C28 P1 109.2(4) . . ?
C16 C15 C20 117.2(4) . . ?
C16 C15 P1 117.7(3) . . ?
C20 C15 P1 124.6(3) . . ?
C9 C14 C13 120.2(5) . . ?
C9 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C3 C4 C5 120.4(5) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C23 C22 C21 120.5(5) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C24 C25 C26 120.5(6) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C24 C23 C22 120.2(5) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C23 120.4(5) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C3 C8 C7 120.1(5) . . ?
C3 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C18 C19 C20 122.4(5) . . ?
C18 C19 H19 118.8 . . ?
C20 C19 H19 118.8 . . ?
C17 C16 C15 122.8(5) . . ?
C17 C16 H16 118.6 . . ?
C15 C16 H16 118.6 . . ?
C12 C11 C10 119.4(5) . . ?
C12 C11 H11 120.3 . . ?
C10 C11 H11 120.3 . . ?
C6 C7 C8 119.6(6) . . ?
C6 C7 H7 120.2 . . ?
C8 C7 H7 120.2 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C13 C12 C11 120.8(5) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C6 C5 C4 119.8(5) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C19 C18 C17 120.0(5) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C5 C6 C7 120.9(6) . . ?
C5 C6 H6 119.5 . . ?
C7 C6 H6 119.5 . . ?
C32 C31 H31A 109.5 . . ?
C32 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C32 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C1 C2 P2 113.1(3) . . ?
C1 C2 H2A 109.0 . . ?
P2 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
P2 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C31 C32 C33 110.2(5) . . ?
C31 C32 C34 109.2(5) . . ?
C33 C32 C34 106.7(5) . . ?
C31 C32 P1 109.5(4) . . ?
C33 C32 P1 106.6(3) . . ?
C34 C32 P1 114.5(4) . . ?
C16 C17 C18 119.5(5) . . ?
C16 C17 H17 120.3 . . ?
C18 C17 H17 120.3 . . ?
C12 C13 C14 120.2(6) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C28 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

_refine_diff_density_max         1.562
_refine_diff_density_min         -1.577
_refine_diff_density_rms         0.145

