#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:01:46 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179521 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/18/4341859.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_4341859
loop_
_publ_author_name
'Dau, Thuy Minh'
'Chen, Yi-An'
'Karttunen, Antti J.'
'Grachova, Elena V.'
'Tunik, Sergey P.'
'Lin, Ke-Ting'
'Hung, Wen-Yi'
'Chou, Pi-Tai'
'Pakkanen, Tapani A.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State
 Luminescence.
;
_journal_name_full               'Inorganic chemistry'
_journal_page_first              141201154356007
_journal_paper_doi               10.1021/ic501470v
_journal_year                    2014
_chemical_formula_moiety
'C80 H68 Au4 P6, 2(F6 P), 2(C4 H10 O), C3 H6 O'
_chemical_formula_sum            'C91 H94 Au4 F12 O3 P8'
_chemical_formula_weight         2499.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.1980(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.1993(5)
_cell_length_b                   13.8892(2)
_cell_length_c                   22.3049(3)
_cell_measurement_reflns_used    9579
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      41.30
_cell_measurement_theta_min      2.40
_cell_volume                     8950.5(2)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2g (Brandenburg, 2011)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device
'62mm x 62mm CCD camera on three-circle goniostat'
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'φ scans and ω scans'
_diffrn_radiation_monochromator  'flat graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0283
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            72420
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    6.753
_exptl_absorpt_correction_T_max  0.4739
_exptl_absorpt_correction_T_min  0.2349
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4832
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.820
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     515
_refine_ls_number_reflns         13055
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0269
_refine_ls_R_factor_gt           0.0210
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0121P)²+35.5765P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0472
_refine_ls_wR_factor_ref         0.0496
_reflns_number_gt                11569
_reflns_number_total             13055
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501470v_si_002.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4341859
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.29331(10) 0.89706(19) 0.46210(12) 0.0199(5) Uani 1 1 d .
C2 C 0.32641(9) 0.95068(19) 0.47955(12) 0.0201(5) Uani 1 1 d .
C3 C 0.36775(9) 1.00835(19) 0.50438(13) 0.0217(5) Uani 1 1 d .
C4 C 0.37962(11) 1.0681(2) 0.56011(15) 0.0287(6) Uani 1 1 d .
H4 H 0.3591 1.0743 0.5801 0.034 Uiso 1 1 calc R
C5 C 0.42099(12) 1.1182(2) 0.58632(17) 0.0379(8) Uani 1 1 d .
H5 H 0.4287 1.1586 0.6241 0.046 Uiso 1 1 calc R
C6 C 0.45108(12) 1.1097(3) 0.55786(18) 0.0418(9) Uani 1 1 d .
H6 H 0.4798 1.1431 0.5766 0.050 Uiso 1 1 calc R
C7 C 0.43951(11) 1.0522(3) 0.50182(18) 0.0386(8) Uani 1 1 d .
H7 H 0.4601 1.0473 0.4818 0.046 Uiso 1 1 calc R
C8 C 0.39805(11) 1.0021(2) 0.47491(16) 0.0295(6) Uani 1 1 d .
H8 H 0.3902 0.9633 0.4363 0.035 Uiso 1 1 calc R
C9 C 0.26553(10) 0.41910(18) 0.41941(12) 0.0186(5) Uani 1 1 d .
C10 C 0.22868(11) 0.3545(2) 0.39454(14) 0.0248(6) Uani 1 1 d .
H10 H 0.1982 0.3768 0.3670 0.030 Uiso 1 1 calc R
C11 C 0.23672(13) 0.2575(2) 0.41031(16) 0.0332(7) Uani 1 1 d .
H11 H 0.2116 0.2134 0.3935 0.040 Uiso 1 1 calc R
C12 C 0.28090(13) 0.2246(2) 0.45025(16) 0.0335(7) Uani 1 1 d .
H12 H 0.2861 0.1580 0.4605 0.040 Uiso 1 1 calc R
C13 C 0.31740(12) 0.2880(2) 0.47518(15) 0.0300(6) Uani 1 1 d .
H13 H 0.3477 0.2652 0.5029 0.036 Uiso 1 1 calc R
C14 C 0.31006(11) 0.3854(2) 0.45994(14) 0.0244(6) Uani 1 1 d .
H14 H 0.3354 0.4290 0.4771 0.029 Uiso 1 1 calc R
C15 C 0.26169(9) 0.55882(19) 0.32067(12) 0.0183(5) Uani 1 1 d .
C16 C 0.28983(12) 0.6276(2) 0.31273(15) 0.0305(6) Uani 1 1 d .
H16 H 0.3073 0.6704 0.3482 0.037 Uiso 1 1 calc R
C17 C 0.29233(15) 0.6337(3) 0.25177(18) 0.0455(9) Uani 1 1 d .
H17 H 0.3115 0.6808 0.2457 0.055 Uiso 1 1 calc R
C18 C 0.26701(14) 0.5713(3) 0.20063(16) 0.0410(8) Uani 1 1 d .
H18 H 0.2696 0.5745 0.1599 0.049 Uiso 1 1 calc R
C19 C 0.23820(12) 0.5046(2) 0.20769(14) 0.0325(7) Uani 1 1 d .
H19 H 0.2201 0.4633 0.1716 0.039 Uiso 1 1 calc R
C20 C 0.23553(11) 0.4977(2) 0.26801(14) 0.0271(6) Uani 1 1 d .
H20 H 0.2158 0.4511 0.2733 0.032 Uiso 1 1 calc R
C21 C 0.16273(9) 0.71465(19) 0.27628(12) 0.0179(5) Uani 1 1 d .
C22 C 0.18356(11) 0.7824(3) 0.25270(15) 0.0333(7) Uani 1 1 d .
H22 H 0.2071 0.8235 0.2829 0.040 Uiso 1 1 calc R
C23 C 0.16942(14) 0.7894(3) 0.18397(18) 0.0519(11) Uani 1 1 d .
H23 H 0.1837 0.8352 0.1673 0.062 Uiso 1 1 calc R
C24 C 0.13527(13) 0.7309(3) 0.14045(16) 0.0466(10) Uani 1 1 d .
H24 H 0.1258 0.7367 0.0938 0.056 Uiso 1 1 calc R
C25 C 0.11461(11) 0.6640(3) 0.16374(14) 0.0329(7) Uani 1 1 d .
H25 H 0.0909 0.6236 0.1332 0.039 Uiso 1 1 calc R
C26 C 0.12819(10) 0.6552(2) 0.23156(13) 0.0245(6) Uani 1 1 d .
H26 H 0.1139 0.6086 0.2476 0.029 Uiso 1 1 calc R
C27 C 0.38747(9) 0.59391(18) 0.64791(12) 0.0172(5) Uani 1 1 d .
C28 C 0.41872(12) 0.6108(2) 0.71432(14) 0.0300(6) Uani 1 1 d .
H28 H 0.4337 0.6715 0.7272 0.036 Uiso 1 1 calc R
C29 C 0.42780(13) 0.5386(2) 0.76144(15) 0.0373(8) Uani 1 1 d .
H29 H 0.4491 0.5502 0.8066 0.045 Uiso 1 1 calc R
C30 C 0.40640(13) 0.4506(2) 0.74372(17) 0.0397(8) Uani 1 1 d .
H30 H 0.4134 0.4012 0.7762 0.048 Uiso 1 1 calc R
C31 C 0.37486(15) 0.4346(3) 0.67895(18) 0.0502(11) Uani 1 1 d .
H31 H 0.3594 0.3744 0.6668 0.060 Uiso 1 1 calc R
C32 C 0.36537(12) 0.5058(2) 0.63092(16) 0.0358(7) Uani 1 1 d .
H32 H 0.3435 0.4938 0.5860 0.043 Uiso 1 1 calc R
C33 C 0.42429(9) 0.70451(17) 0.56801(12) 0.0162(4) Uani 1 1 d .
C34 C 0.46910(10) 0.6817(2) 0.61414(15) 0.0275(6) Uani 1 1 d .
H34 H 0.4744 0.6492 0.6544 0.033 Uiso 1 1 calc R
C35 C 0.50592(11) 0.7068(3) 0.60099(17) 0.0358(7) Uani 1 1 d .
H35 H 0.5367 0.6927 0.6329 0.043 Uiso 1 1 calc R
C36 C 0.49826(10) 0.7520(2) 0.54193(16) 0.0281(6) Uani 1 1 d .
H36 H 0.5237 0.7681 0.5332 0.034 Uiso 1 1 calc R
C37 C 0.45397(11) 0.7741(2) 0.49566(15) 0.0307(6) Uani 1 1 d .
H37 H 0.4488 0.8049 0.4549 0.037 Uiso 1 1 calc R
C38 C 0.41695(10) 0.7509(2) 0.50911(14) 0.0280(6) Uani 1 1 d .
H38 H 0.3863 0.7669 0.4777 0.034 Uiso 1 1 calc R
C39 C 0.19816(9) 0.57089(17) 0.38050(12) 0.0159(4) Uani 1 1 d .
H39A H 0.1926 0.5487 0.4185 0.019 Uiso 1 1 calc R
H39B H 0.1777 0.5334 0.3406 0.019 Uiso 1 1 calc R
C40 C 0.13122(9) 0.70322(17) 0.38007(12) 0.0159(4) Uani 1 1 d .
H40A H 0.1034 0.6937 0.3371 0.019 Uiso 1 1 calc R
H40B H 0.1325 0.6499 0.4103 0.019 Uiso 1 1 calc R
C41 C 0.3962(2) 0.5266(4) 0.4184(3) 0.0762(8) Uani 1 1 d .
H41A H 0.4057 0.5565 0.3866 0.114 Uiso 1 1 calc R
H41B H 0.3809 0.5747 0.4339 0.114 Uiso 1 1 calc R
H41C H 0.3747 0.4736 0.3965 0.114 Uiso 1 1 calc R
C42 C 0.4371(2) 0.4893(4) 0.4755(3) 0.0762(8) Uani 1 1 d .
H42A H 0.4526 0.4413 0.4594 0.091 Uiso 1 1 calc R
H42B H 0.4591 0.5428 0.4965 0.091 Uiso 1 1 calc R
C43 C 0.4706(2) 0.4070(4) 0.5786(3) 0.0762(8) Uani 1 1 d .
H43A H 0.4812 0.3510 0.5615 0.091 Uiso 1 1 calc R
H43B H 0.4950 0.4569 0.5923 0.091 Uiso 1 1 calc R
C44 C 0.4640(2) 0.3790(4) 0.6335(3) 0.0762(8) Uani 1 1 d .
H44A H 0.4930 0.3534 0.6681 0.114 Uiso 1 1 calc R
H44B H 0.4400 0.3292 0.6200 0.114 Uiso 1 1 calc R
H44C H 0.4543 0.4348 0.6511 0.114 Uiso 1 1 calc R
C45 C -0.0139(2) 0.4371(4) 0.6867(3) 0.087(2) Uani 1 1 d .
H45A H -0.0221 0.3907 0.6501 0.131 Uiso 1 1 calc R
H45B H 0.0118 0.4774 0.6892 0.131 Uiso 1 1 calc R
H45C H -0.0408 0.4778 0.6784 0.131 Uiso 1 1 calc R
C46 C 0.0000 0.3852(4) 0.7500 0.0536(15) Uani 1 2 d S
O1 O 0.42652(14) 0.4463(3) 0.52365(17) 0.0729(10) Uani 1 1 d .
O2 O 0.0000 0.3003(4) 0.7500 0.173(5) Uani 1 2 d S
F1 F 0.41615(14) 0.23750(19) 0.82902(14) 0.0876(11) Uani 1 1 d .
F2 F 0.45000(11) 0.1631(3) 0.77525(17) 0.0824(9) Uani 1 1 d .
F3 F 0.42900(8) 0.07824(16) 0.84328(11) 0.0514(6) Uani 1 1 d .
F4 F 0.39138(15) 0.05995(18) 0.73142(14) 0.1099(15) Uani 1 1 d .
F5 F 0.35763(11) 0.1319(3) 0.7859(3) 0.139(2) Uani 1 1 d .
F6 F 0.37762(10) 0.21736(17) 0.71881(13) 0.0723(9) Uani 1 1 d .
P1 P 0.25809(2) 0.54639(5) 0.39893(3) 0.01521(12) Uani 1 1 d .
P2 P 0.18280(2) 0.69835(4) 0.36523(3) 0.01403(11) Uani 1 1 d .
P3 P 0.37417(2) 0.68314(4) 0.58316(3) 0.01436(11) Uani 1 1 d .
P4 P 0.40377(3) 0.14818(6) 0.78118(5) 0.03485(19) Uani 1 1 d .
Au1 Au 0.310102(3) 0.636051(7) 0.487498(4) 0.01594(3) Uani 1 1 d .
Au2 Au 0.241435(3) 0.802641(6) 0.425435(4) 0.01508(3) Uani 1 1 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'
O O 0.0106 0.0060 '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'
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
C2 C1 Au2 173.0(2) . .
C1 C2 C3 175.2(3) . .
C8 C3 C4 118.7(3) . .
C8 C3 C2 120.2(3) . .
C4 C3 C2 121.0(3) . .
C5 C4 C3 120.5(3) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C6 C5 C4 120.3(3) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C5 C6 C7 120.0(3) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C8 C7 C6 120.2(3) . .
C8 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
C7 C8 C3 120.2(3) . .
C7 C8 H8 119.9 . .
C3 C8 H8 119.9 . .
C10 C9 C14 119.5(2) . .
C10 C9 P1 122.2(2) . .
C14 C9 P1 118.3(2) . .
C11 C10 C9 119.6(3) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C12 C11 C10 120.6(3) . .
C12 C11 H11 119.7 . .
C10 C11 H11 119.7 . .
C13 C12 C11 120.2(3) . .
C13 C12 H12 119.9 . .
C11 C12 H12 119.9 . .
C12 C13 C14 120.1(3) . .
C12 C13 H13 119.9 . .
C14 C13 H13 119.9 . .
C13 C14 C9 120.0(3) . .
C13 C14 H14 120.0 . .
C9 C14 H14 120.0 . .
C16 C15 C20 120.1(2) . .
C16 C15 P1 121.0(2) . .
C20 C15 P1 118.9(2) . .
C15 C16 C17 119.2(3) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
C18 C17 C16 120.0(3) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C19 C18 C17 121.0(3) . .
C19 C18 H18 119.5 . .
C17 C18 H18 119.5 . .
C18 C19 C20 119.6(3) . .
C18 C19 H19 120.2 . .
C20 C19 H19 120.2 . .
C19 C20 C15 120.1(3) . .
C19 C20 H20 119.9 . .
C15 C20 H20 119.9 . .
C22 C21 C26 119.9(2) . .
C22 C21 P2 120.1(2) . .
C26 C21 P2 119.85(19) . .
C21 C22 C23 119.0(3) . .
C21 C22 H22 120.5 . .
C23 C22 H22 120.5 . .
C24 C23 C22 120.6(3) . .
C24 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C23 C24 C25 120.4(3) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C24 C25 C26 120.2(3) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C25 C26 C21 119.9(3) . .
C25 C26 H26 120.0 . .
C21 C26 H26 120.0 . .
C32 C27 C28 118.9(2) . .
C32 C27 P3 118.5(2) . .
C28 C27 P3 122.6(2) . .
C29 C28 C27 119.6(3) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
C30 C29 C28 121.0(3) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C31 C30 C29 119.6(3) . .
C31 C30 H30 120.2 . .
C29 C30 H30 120.2 . .
C30 C31 C32 120.4(3) . .
C30 C31 H31 119.8 . .
C32 C31 H31 119.8 . .
C27 C32 C31 120.5(3) . .
C27 C32 H32 119.8 . .
C31 C32 H32 119.8 . .
C38 C33 C34 119.6(2) . .
C38 C33 P3 117.3(2) . .
C34 C33 P3 122.92(19) . .
C35 C34 C33 119.5(3) . .
C35 C34 H34 120.3 . .
C33 C34 H34 120.3 . .
C36 C35 C34 120.5(3) . .
C36 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
C37 C36 C35 120.4(3) . .
C37 C36 H36 119.8 . .
C35 C36 H36 119.8 . .
C36 C37 C38 119.3(3) . .
C36 C37 H37 120.3 . .
C38 C37 H37 120.3 . .
C33 C38 C37 120.6(3) . .
C33 C38 H38 119.7 . .
C37 C38 H38 119.7 . .
P1 C39 P2 113.32(13) . .
P1 C39 H39A 108.9 . .
P2 C39 H39A 108.9 . .
P1 C39 H39B 108.9 . .
P2 C39 H39B 108.9 . .
H39A C39 H39B 107.7 . .
P3 C40 P2 112.80(13) 7_566 .
P3 C40 H40A 109.0 7_566 .
P2 C40 H40A 109.0 . .
P3 C40 H40B 109.0 7_566 .
P2 C40 H40B 109.0 . .
H40A C40 H40B 107.8 . .
C42 C41 H41A 109.5 . .
C42 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C42 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
O1 C42 C41 113.0(5) . .
O1 C42 H42A 109.0 . .
C41 C42 H42A 109.0 . .
O1 C42 H42B 109.0 . .
C41 C42 H42B 109.0 . .
H42A C42 H42B 107.8 . .
C44 C43 O1 111.2(5) . .
C44 C43 H43A 109.4 . .
O1 C43 H43A 109.4 . .
C44 C43 H43B 109.4 . .
O1 C43 H43B 109.4 . .
H43A C43 H43B 108.0 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C46 C45 H45A 109.5 . .
C46 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C46 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
O2 C46 C45 119.4(3) . .
O2 C46 C45 119.4(3) . 2_556
C45 C46 C45 121.3(6) . 2_556
C42 O1 C43 108.5(4) . .
C15 P1 C9 106.17(11) . .
C15 P1 C39 106.12(12) . .
C9 P1 C39 104.36(12) . .
C15 P1 Au1 116.29(9) . .
C9 P1 Au1 110.16(9) . .
C39 P1 Au1 112.87(8) . .
C21 P2 C39 105.17(11) . .
C21 P2 C40 106.26(12) . .
C39 P2 C40 101.20(11) . .
C21 P2 Au2 111.56(9) . .
C39 P2 Au2 114.74(8) . .
C40 P2 Au2 116.73(8) . .
C27 P3 C33 110.19(12) . .
C27 P3 C40 105.70(11) . 7_566
C33 P3 C40 102.21(11) . 7_566
C27 P3 Au1 110.11(9) . .
C33 P3 Au1 112.29(8) . .
C40 P3 Au1 115.90(9) 7_566 .
F5 P4 F2 178.8(3) . .
F5 P4 F1 91.9(3) . .
F2 P4 F1 89.3(2) . .
F5 P4 F4 89.0(3) . .
F2 P4 F4 89.9(2) . .
F1 P4 F4 178.42(18) . .
F5 P4 F3 89.31(18) . .
F2 P4 F3 90.88(16) . .
F1 P4 F3 90.69(14) . .
F4 P4 F3 90.66(14) . .
F5 P4 F6 89.69(19) . .
F2 P4 F6 90.11(18) . .
F1 P4 F6 89.69(15) . .
F4 P4 F6 88.98(15) . .
F3 P4 F6 178.95(16) . .
P1 Au1 P3 162.92(2) . .
P1 Au1 Au2 85.122(16) . .
P3 Au1 Au2 111.948(16) . .
P1 Au1 Au2 106.866(16) . 7_566
P3 Au1 Au2 81.618(15) . 7_566
Au2 Au1 Au2 66.907(3) . 7_566
C1 Au2 P2 169.42(7) . .
C1 Au2 Au1 90.26(8) . .
P2 Au2 Au1 91.769(16) . .
C1 Au2 Au1 98.17(7) . 7_566
P2 Au2 Au1 90.583(15) . 7_566
Au1 Au2 Au1 113.094(3) . 7_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.215(4) .
C1 Au2 1.993(3) .
C2 C3 1.439(4) .
C3 C8 1.399(4) .
C3 C4 1.400(4) .
C4 C5 1.383(4) .
C4 H4 0.9500 .
C5 C6 1.378(5) .
C5 H5 0.9500 .
C6 C7 1.388(6) .
C6 H6 0.9500 .
C7 C8 1.385(4) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C10 1.392(4) .
C9 C14 1.396(4) .
C9 P1 1.815(3) .
C10 C11 1.388(4) .
C10 H10 0.9500 .
C11 C12 1.381(5) .
C11 H11 0.9500 .
C12 C13 1.374(5) .
C12 H12 0.9500 .
C13 C14 1.389(4) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.381(4) .
C15 C20 1.392(4) .
C15 P1 1.808(2) .
C16 C17 1.400(4) .
C16 H16 0.9500 .
C17 C18 1.377(5) .
C17 H17 0.9500 .
C18 C19 1.368(5) .
C18 H18 0.9500 .
C19 C20 1.389(4) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.387(4) .
C21 C26 1.391(4) .
C21 P2 1.809(2) .
C22 C23 1.397(4) .
C22 H22 0.9500 .
C23 C24 1.367(6) .
C23 H23 0.9500 .
C24 C25 1.372(5) .
C24 H24 0.9500 .
C25 C26 1.382(4) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C32 1.382(4) .
C27 C28 1.395(4) .
C27 P3 1.805(2) .
C28 C29 1.388(4) .
C28 H28 0.9500 .
C29 C30 1.372(5) .
C29 H29 0.9500 .
C30 C31 1.369(5) .
C30 H30 0.9500 .
C31 C32 1.389(4) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C38 1.387(4) .
C33 C34 1.389(4) .
C33 P3 1.813(2) .
C34 C35 1.386(4) .
C34 H34 0.9500 .
C35 C36 1.380(4) .
C35 H35 0.9500 .
C36 C37 1.376(4) .
C36 H36 0.9500 .
C37 C38 1.390(4) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 P1 1.819(3) .
C39 P2 1.829(3) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 P3 1.822(2) 7_566
C40 P2 1.832(2) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.465(8) .
C41 H41A 0.9800 .
C41 H41B 0.9800 .
C41 H41C 0.9800 .
C42 O1 1.395(6) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 C44 1.388(8) .
C43 O1 1.509(7) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C46 1.469(6) .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C46 O2 1.180(7) .
C46 C45 1.469(6) 2_556
F1 P4 1.569(3) .
F2 P4 1.565(3) .
F3 P4 1.590(2) .
F4 P4 1.582(3) .
F5 P4 1.552(3) .
F6 P4 1.592(2) .
P1 Au1 2.3102(6) .
P2 Au2 2.2863(6) .
P3 C40 1.822(2) 7_566
P3 Au1 2.3130(6) .
Au1 Au2 3.07508(14) .
Au1 Au2 3.17737(13) 7_566
Au2 Au1 3.17728(13) 7_566
