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#$Date: 2022-01-06 01:53:25 +0200 (Thu, 06 Jan 2022) $
#$Revision: 271821 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/92/7709232.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7709232
loop_
_publ_author_name
'Abogosh , Ahmed K.'
'Alghanem, Meshal'
'Ahmad, Saeed'
'Alasmari, Abdullah'
'As Sobeai , Homood M.'
'Sulaiman, Adam A. A.'
'Fettouhi, Mohammed'
'Popoola , Saheed A.'
'Alhoshani, Ali'
'Isab, Anvarhusein'
_publ_section_title
;
 A Novel Cyclic Dinuclear Gold(I) Complex Induces Anticancer Activity via
 Oxidative Stress-Mediated Intrinsic Apoptotic Pathway in MDA-MB-231
 Cancer Cells
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03546K
_journal_year                    2022
_chemical_formula_moiety         'C56 H106 Au2 N2 P4, 2(F6 P)'
_chemical_formula_sum            'C56 H106 Au2 F12 N2 P6'
_chemical_formula_weight         1615.17
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-12-19 deposited with the CCDC.	2021-12-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.6860(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.4345(4)
_cell_length_b                   27.7952(12)
_cell_length_c                   13.3794(6)
_cell_measurement_reflns_used    9966
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.120
_cell_measurement_theta_min      2.356
_cell_volume                     3360.8(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2017)'
_computing_data_collection       'Apex3 v2017.3-0 (Bruker, 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2017)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker AXS D8 Quest diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0576
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            118122
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.375
_diffrn_reflns_theta_min         2.467
_diffrn_source                   'Microfocus sealed tube'
_exptl_absorpt_coefficient_mu    4.572
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_description       block
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.480
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.704
_refine_diff_density_min         -1.500
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         8403
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0358
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0060P)²+15.2952P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0742
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7309
_reflns_number_total             8403
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt03546k2.cif
_cod_data_source_block           ad152_1_0m_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7709232
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_min   0.218
_shelx_estimated_absorpt_t_max   0.658
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.23090(2) 0.60952(2) 0.38078(2) 0.03720(5) Uani 1 1 d . . . . .
N1 N 0.5082(5) 0.47138(14) 0.2894(3) 0.0447(9) Uani 1 1 d D . . . .
P1 P 0.78526(12) 0.36820(4) 0.45615(8) 0.0324(2) Uani 1 1 d . . . . .
P2 P 0.22109(11) 0.58520(4) 0.21358(8) 0.0296(2) Uani 1 1 d . . . . .
C1 C 0.7214(5) 0.30648(16) 0.4194(3) 0.0392(9) Uani 1 1 d . . . . .
H1 H 0.785663 0.284934 0.470834 0.047 Uiso 1 1 calc R U . . .
C2 C 0.7344(6) 0.29171(18) 0.3129(4) 0.0533(12) Uani 1 1 d . . . . .
H2A H 0.837493 0.292708 0.313739 0.064 Uiso 1 1 calc R U . . .
H2B H 0.680304 0.314415 0.260731 0.064 Uiso 1 1 calc R U . . .
C3 C 0.6733(7) 0.2410(2) 0.2831(5) 0.0726(17) Uani 1 1 d . . . . .
H3A H 0.676782 0.233559 0.213027 0.087 Uiso 1 1 calc R U . . .
H3B H 0.734557 0.217799 0.330428 0.087 Uiso 1 1 calc R U . . .
C4 C 0.5184(7) 0.2371(2) 0.2879(6) 0.081(2) Uani 1 1 d . . . . .
H4A H 0.482780 0.204570 0.270199 0.098 Uiso 1 1 calc R U . . .
H4B H 0.455808 0.258783 0.237229 0.098 Uiso 1 1 calc R U . . .
C5 C 0.5089(8) 0.2493(2) 0.3942(6) 0.087(2) Uani 1 1 d . . . . .
H5A H 0.566594 0.226291 0.443908 0.104 Uiso 1 1 calc R U . . .
H5B H 0.406784 0.246832 0.395166 0.104 Uiso 1 1 calc R U . . .
C6 C 0.5656(6) 0.2999(2) 0.4274(5) 0.0636(15) Uani 1 1 d . . . . .
H6A H 0.500517 0.323336 0.383192 0.076 Uiso 1 1 calc R U . . .
H6B H 0.564685 0.305535 0.498771 0.076 Uiso 1 1 calc R U . . .
C7 C 0.9792(5) 0.37340(15) 0.4556(3) 0.0356(9) Uani 1 1 d . . . . .
H7 H 0.984328 0.367070 0.384705 0.043 Uiso 1 1 calc R U . . .
C8 C 1.0377(6) 0.42418(18) 0.4868(5) 0.0598(14) Uani 1 1 d . . . . .
H8A H 1.023907 0.432291 0.553931 0.072 Uiso 1 1 calc R U . . .
H8B H 0.982042 0.447068 0.435790 0.072 Uiso 1 1 calc R U . . .
C9 C 1.2022(8) 0.4278(2) 0.4936(6) 0.085(2) Uani 1 1 d . . . . .
H9A H 1.213751 0.423993 0.424306 0.102 Uiso 1 1 calc R U . . .
H9B H 1.237867 0.459623 0.518532 0.102 Uiso 1 1 calc R U . . .
C10 C 1.2949(7) 0.3907(3) 0.5648(6) 0.083(2) Uani 1 1 d . . . . .
H10A H 1.396414 0.393115 0.562385 0.099 Uiso 1 1 calc R U . . .
H10B H 1.293855 0.396936 0.635957 0.099 Uiso 1 1 calc R U . . .
C11 C 1.2381(6) 0.3408(2) 0.5339(5) 0.0679(16) Uani 1 1 d . . . . .
H11A H 1.295731 0.317902 0.583897 0.082 Uiso 1 1 calc R U . . .
H11B H 1.250222 0.333201 0.466049 0.082 Uiso 1 1 calc R U . . .
C12 C 1.0753(5) 0.33613(17) 0.5292(4) 0.0464(11) Uani 1 1 d . . . . .
H12A H 1.064763 0.340301 0.598653 0.056 Uiso 1 1 calc R U . . .
H12B H 1.040973 0.304078 0.505367 0.056 Uiso 1 1 calc R U . . .
C13 C 0.6791(6) 0.40661(18) 0.3504(3) 0.0487(12) Uani 1 1 d . . . . .
H13A H 0.747945 0.423813 0.321647 0.058 Uiso 1 1 calc R U . . .
H13B H 0.619227 0.386208 0.295560 0.058 Uiso 1 1 calc R U . . .
C14 C 0.5802(5) 0.44240(16) 0.3794(3) 0.0410(10) Uani 1 1 d . . . . .
H14A H 0.506390 0.425846 0.404328 0.049 Uiso 1 1 calc R U . . .
H14B H 0.637692 0.462876 0.435120 0.049 Uiso 1 1 calc R U . . .
C15 C 0.4079(5) 0.50747(16) 0.3071(3) 0.0414(10) Uani 1 1 d . . . . .
H15A H 0.458006 0.527297 0.366359 0.050 Uiso 1 1 calc R U . . .
H15B H 0.324068 0.492122 0.322179 0.050 Uiso 1 1 calc R U . . .
C16 C 0.3551(5) 0.53847(15) 0.2099(3) 0.0374(9) Uani 1 1 d . . . . .
H16A H 0.311456 0.517562 0.151091 0.045 Uiso 1 1 calc R U . . .
H16B H 0.440696 0.553699 0.197121 0.045 Uiso 1 1 calc R U . . .
C17 C 0.0369(4) 0.56090(15) 0.1493(3) 0.0359(9) Uani 1 1 d . . . . .
H17 H 0.029263 0.556287 0.075348 0.043 Uiso 1 1 calc R U . . .
C18 C 0.0128(6) 0.51228(17) 0.1942(5) 0.0570(13) Uani 1 1 d . . . . .
H18A H 0.085901 0.489611 0.184420 0.068 Uiso 1 1 calc R U . . .
H18B H 0.026441 0.515514 0.268557 0.068 Uiso 1 1 calc R U . . .
C19 C -0.1405(7) 0.4930(2) 0.1423(6) 0.0764(18) Uani 1 1 d . . . . .
H19A H -0.150454 0.486766 0.069259 0.092 Uiso 1 1 calc R U . . .
H19B H -0.153681 0.462807 0.174745 0.092 Uiso 1 1 calc R U . . .
C20 C -0.2576(7) 0.5274(3) 0.1504(6) 0.084(2) Uani 1 1 d . . . . .
H20A H -0.255028 0.530864 0.223070 0.100 Uiso 1 1 calc R U . . .
H20B H -0.353848 0.514671 0.112669 0.100 Uiso 1 1 calc R U . . .
C21 C -0.2369(6) 0.5759(3) 0.1068(6) 0.0779(19) Uani 1 1 d . . . . .
H21A H -0.310110 0.598006 0.118422 0.094 Uiso 1 1 calc R U . . .
H21B H -0.253124 0.573071 0.032101 0.094 Uiso 1 1 calc R U . . .
C22 C -0.0838(5) 0.59607(18) 0.1563(5) 0.0532(12) Uani 1 1 d . . . . .
H22A H -0.072851 0.603397 0.229003 0.064 Uiso 1 1 calc R U . . .
H22B H -0.072381 0.625821 0.121494 0.064 Uiso 1 1 calc R U . . .
C23 C 0.2555(5) 0.63402(14) 0.1315(3) 0.0350(9) Uani 1 1 d . . . . .
H23 H 0.168226 0.654933 0.115331 0.042 Uiso 1 1 calc R U . . .
C24 C 0.2741(7) 0.61739(17) 0.0283(4) 0.0536(13) Uani 1 1 d . . . . .
H24A H 0.184816 0.600994 -0.011148 0.064 Uiso 1 1 calc R U . . .
H24B H 0.355302 0.594636 0.041165 0.064 Uiso 1 1 calc R U . . .
C25 C 0.3050(9) 0.6594(2) -0.0356(5) 0.084(2) Uani 1 1 d . . . . .
H25A H 0.322936 0.647151 -0.098765 0.101 Uiso 1 1 calc R U . . .
H25B H 0.218542 0.680053 -0.055866 0.101 Uiso 1 1 calc R U . . .
C26 C 0.4350(8) 0.6882(2) 0.0236(6) 0.081(2) Uani 1 1 d . . . . .
H26A H 0.447888 0.715464 -0.018212 0.097 Uiso 1 1 calc R U . . .
H26B H 0.523569 0.668549 0.037837 0.097 Uiso 1 1 calc R U . . .
C27 C 0.4147(7) 0.7057(2) 0.1238(6) 0.0762(19) Uani 1 1 d . . . . .
H27A H 0.331465 0.727711 0.108948 0.091 Uiso 1 1 calc R U . . .
H27B H 0.502322 0.723344 0.161882 0.091 Uiso 1 1 calc R U . . .
C28 C 0.3876(6) 0.6648(2) 0.1916(4) 0.0562(13) Uani 1 1 d . . . . .
H28A H 0.368216 0.677907 0.253611 0.067 Uiso 1 1 calc R U . . .
H28B H 0.475337 0.644786 0.213630 0.067 Uiso 1 1 calc R U . . .
P3 P 0.1798(2) 0.36019(8) 0.17625(14) 0.0834(6) Uani 1 1 d . . . . .
F1 F 0.3191(8) 0.3484(3) 0.1442(6) 0.195(3) Uani 1 1 d . . . . .
F2 F 0.2811(8) 0.3765(3) 0.2839(4) 0.202(4) Uani 1 1 d . . . . .
F3 F 0.1903(10) 0.4130(2) 0.1361(6) 0.193(3) Uani 1 1 d . . . . .
F4 F 0.0417(7) 0.3750(3) 0.2114(4) 0.171(3) Uani 1 1 d . . . . .
F5 F 0.0818(7) 0.3510(3) 0.0656(4) 0.170(3) Uani 1 1 d . . . . .
F6 F 0.1730(12) 0.3119(3) 0.2176(9) 0.255(5) Uani 1 1 d . . . . .
H1D H 0.466(5) 0.4521(15) 0.243(3) 0.054(16) Uiso 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 174.01(4) . 3_666 ?
C15 N1 C14 115.0(4) . . ?
C15 N1 H1D 112(4) . . ?
C14 N1 H1D 106(4) . . ?
C13 P1 C7 106.0(2) . . ?
C13 P1 C1 105.9(2) . . ?
C7 P1 C1 108.81(19) . . ?
C13 P1 Au1 113.86(15) . 3_666 ?
C7 P1 Au1 108.52(14) . 3_666 ?
C1 P1 Au1 113.38(15) . 3_666 ?
C16 P2 C23 105.56(19) . . ?
C16 P2 C17 107.2(2) . . ?
C23 P2 C17 107.41(19) . . ?
C16 P2 Au1 113.49(14) . . ?
C23 P2 Au1 113.47(14) . . ?
C17 P2 Au1 109.30(14) . . ?
C6 C1 C2 112.0(4) . . ?
C6 C1 P1 110.1(3) . . ?
C2 C1 P1 113.2(3) . . ?
C6 C1 H1 107.1 . . ?
C2 C1 H1 107.1 . . ?
P1 C1 H1 107.1 . . ?
C1 C2 C3 111.5(5) . . ?
C1 C2 H2A 109.3 . . ?
C3 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
C3 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C4 C3 C2 111.0(5) . . ?
C4 C3 H3A 109.4 . . ?
C2 C3 H3A 109.4 . . ?
C4 C3 H3B 109.4 . . ?
C2 C3 H3B 109.4 . . ?
H3A C3 H3B 108.0 . . ?
C3 C4 C5 110.7(6) . . ?
C3 C4 H4A 109.5 . . ?
C5 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
C5 C4 H4B 109.5 . . ?
H4A C4 H4B 108.1 . . ?
C4 C5 C6 112.1(5) . . ?
C4 C5 H5A 109.2 . . ?
C6 C5 H5A 109.2 . . ?
C4 C5 H5B 109.2 . . ?
C6 C5 H5B 109.2 . . ?
H5A C5 H5B 107.9 . . ?
C1 C6 C5 110.9(5) . . ?
C1 C6 H6A 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 108.1 . . ?
C8 C7 C12 110.4(4) . . ?
C8 C7 P1 110.7(3) . . ?
C12 C7 P1 110.5(3) . . ?
C8 C7 H7 108.4 . . ?
C12 C7 H7 108.4 . . ?
P1 C7 H7 108.4 . . ?
C7 C8 C9 110.9(5) . . ?
C7 C8 H8A 109.5 . . ?
C9 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C9 C8 H8B 109.5 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 112.8(5) . . ?
C10 C9 H9A 109.0 . . ?
C8 C9 H9A 109.0 . . ?
C10 C9 H9B 109.0 . . ?
C8 C9 H9B 109.0 . . ?
H9A C9 H9B 107.8 . . ?
C11 C10 C9 111.2(5) . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C9 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C10 C11 C12 111.5(5) . . ?
C10 C11 H11A 109.3 . . ?
C12 C11 H11A 109.3 . . ?
C10 C11 H11B 109.3 . . ?
C12 C11 H11B 109.3 . . ?
H11A C11 H11B 108.0 . . ?
C11 C12 C7 111.8(4) . . ?
C11 C12 H12A 109.2 . . ?
C7 C12 H12A 109.2 . . ?
C11 C12 H12B 109.2 . . ?
C7 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C14 C13 P1 115.7(3) . . ?
C14 C13 H13A 108.4 . . ?
P1 C13 H13A 108.4 . . ?
C14 C13 H13B 108.4 . . ?
P1 C13 H13B 108.4 . . ?
H13A C13 H13B 107.4 . . ?
N1 C14 C13 109.5(4) . . ?
N1 C14 H14A 109.8 . . ?
C13 C14 H14A 109.8 . . ?
N1 C14 H14B 109.8 . . ?
C13 C14 H14B 109.8 . . ?
H14A C14 H14B 108.2 . . ?
N1 C15 C16 108.9(4) . . ?
N1 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
N1 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 P2 116.2(3) . . ?
C15 C16 H16A 108.2 . . ?
P2 C16 H16A 108.2 . . ?
C15 C16 H16B 108.2 . . ?
P2 C16 H16B 108.2 . . ?
H16A C16 H16B 107.4 . . ?
C18 C17 C22 110.3(4) . . ?
C18 C17 P2 111.8(3) . . ?
C22 C17 P2 111.1(3) . . ?
C18 C17 H17 107.8 . . ?
C22 C17 H17 107.8 . . ?
P2 C17 H17 107.8 . . ?
C19 C18 C17 111.4(5) . . ?
C19 C18 H18A 109.4 . . ?
C17 C18 H18A 109.4 . . ?
C19 C18 H18B 109.4 . . ?
C17 C18 H18B 109.4 . . ?
H18A C18 H18B 108.0 . . ?
C20 C19 C18 111.8(5) . . ?
C20 C19 H19A 109.2 . . ?
C18 C19 H19A 109.2 . . ?
C20 C19 H19B 109.2 . . ?
C18 C19 H19B 109.2 . . ?
H19A C19 H19B 107.9 . . ?
C19 C20 C21 111.4(5) . . ?
C19 C20 H20A 109.3 . . ?
C21 C20 H20A 109.3 . . ?
C19 C20 H20B 109.3 . . ?
C21 C20 H20B 109.3 . . ?
H20A C20 H20B 108.0 . . ?
C20 C21 C22 112.1(5) . . ?
C20 C21 H21A 109.2 . . ?
C22 C21 H21A 109.2 . . ?
C20 C21 H21B 109.2 . . ?
C22 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C21 C22 C17 111.8(5) . . ?
C21 C22 H22A 109.3 . . ?
C17 C22 H22A 109.3 . . ?
C21 C22 H22B 109.3 . . ?
C17 C22 H22B 109.3 . . ?
H22A C22 H22B 107.9 . . ?
C24 C23 C28 111.0(4) . . ?
C24 C23 P2 114.0(3) . . ?
C28 C23 P2 110.8(3) . . ?
C24 C23 H23 106.8 . . ?
C28 C23 H23 106.8 . . ?
P2 C23 H23 106.8 . . ?
C23 C24 C25 111.7(4) . . ?
C23 C24 H24A 109.3 . . ?
C25 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
C25 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
C26 C25 C24 112.0(5) . . ?
C26 C25 H25A 109.2 . . ?
C24 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
C24 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C25 C26 C27 110.8(5) . . ?
C25 C26 H26A 109.5 . . ?
C27 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C27 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C26 C27 C28 112.3(5) . . ?
C26 C27 H27A 109.1 . . ?
C28 C27 H27A 109.1 . . ?
C26 C27 H27B 109.1 . . ?
C28 C27 H27B 109.1 . . ?
H27A C27 H27B 107.9 . . ?
C27 C28 C23 110.7(5) . . ?
C27 C28 H28A 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 108.1 . . ?
F6 P3 F5 97.7(5) . . ?
F6 P3 F1 92.6(5) . . ?
F5 P3 F1 91.3(4) . . ?
F6 P3 F2 90.0(5) . . ?
F5 P3 F2 172.3(5) . . ?
F1 P3 F2 88.5(4) . . ?
F6 P3 F4 89.8(5) . . ?
F5 P3 F4 90.6(4) . . ?
F1 P3 F4 176.7(5) . . ?
F2 P3 F4 89.3(4) . . ?
F6 P3 F3 177.7(6) . . ?
F5 P3 F3 84.6(4) . . ?
F1 P3 F3 87.7(5) . . ?
F2 P3 F3 87.8(5) . . ?
F4 P3 F3 89.8(4) . . ?
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 2.3132(10) . ?
Au1 P1 2.3147(10) 3_666 ?
N1 C15 1.444(5) . ?
N1 C14 1.447(5) . ?
N1 H1D 0.832(19) . ?
P1 C13 1.825(4) . ?
P1 C7 1.837(4) . ?
P1 C1 1.838(5) . ?
P2 C16 1.823(4) . ?
P2 C23 1.832(4) . ?
P2 C17 1.833(4) . ?
C1 C6 1.516(6) . ?
C1 C2 1.521(6) . ?
C1 H1 0.9800 . ?
C2 C3 1.531(7) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 C4 1.485(9) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.490(10) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.525(8) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.530(6) . ?
C7 C12 1.533(6) . ?
C7 H7 0.9800 . ?
C8 C9 1.532(8) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.503(10) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.502(9) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.524(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.490(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.519(5) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.522(6) . ?
C17 C22 1.524(6) . ?
C17 H17 0.9800 . ?
C18 C19 1.511(8) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.488(9) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.503(9) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.514(7) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.513(6) . ?
C23 C28 1.535(6) . ?
C23 H23 0.9800 . ?
C24 C25 1.524(7) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C25 C26 1.488(9) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.489(9) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.523(8) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
P3 F6 1.461(6) . ?
P3 F5 1.526(5) . ?
P3 F1 1.530(6) . ?
P3 F2 1.550(6) . ?
P3 F4 1.562(6) . ?
P3 F3 1.576(7) . ?
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
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C14 H14A F2 0.97 2.65 3.298(8) 124.5 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C14 H14A F2 0.97 2.65 3.298(8) 124.5 .
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C14 H14A F2 0.97 2.65 3.298(8) 124.5 .
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
C6 H6A F2 0.97 2.58 3.531(10) 166.4 .
C7 H7 F4 0.98 2.54 3.483(7) 162.2 1_655
C18 H18A F3 0.97 2.51 3.430(9) 158.9 .
C22 H22B F5 0.97 2.56 3.318(9) 134.9 3_565
