#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:32:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179484 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/81/4338172.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_4338172
loop_
_publ_author_name
'Dau, Minh Thuy'
'Shakirova, Julia R.'
'Karttunen, Antti J.'
'Grachova, Elena V.'
'Tunik, Sergey P.'
'Melnikov, Alexey S.'
'Pakkanen, Tapani A.'
'Koshevoy, Igor O.'
_publ_section_title
;
 Coinage metal complexes supported by the tri- and tetraphosphine ligands.
;
_journal_issue                   9
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4705
_journal_page_last               4715
_journal_paper_doi               10.1021/ic500402m
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C64 H58 Au3 P6, 3(F6 P), C3 H6 O'
_chemical_formula_sum            'C67 H64 Au3 F18 O P9'
_chemical_formula_weight         2096.81
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.2730(10)
_cell_angle_beta                 112.6140(10)
_cell_angle_gamma                107.7790(10)
_cell_formula_units_Z            1
_cell_length_a                   12.8088(2)
_cell_length_b                   13.6552(2)
_cell_length_c                   13.8864(3)
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      38.16
_cell_measurement_theta_min      2.76
_cell_volume                     1961.62(7)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0171
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            43610
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    5.860
_exptl_absorpt_correction_T_max  0.4540
_exptl_absorpt_correction_T_min  0.2813
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.786
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7702
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0354P)²+5.9403P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0686
_reflns_number_gt                7144
_reflns_number_total             7702
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500402m_si_003.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4338172--4338179.cif.'
_cod_original_cell_volume        1961.61(6)
_cod_database_code               4338172
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.3298(4) 0.5864(3) 0.4819(4) 0.0215(8) Uani 1 1 d .
C2 C 0.3166(5) 0.5123(4) 0.3871(4) 0.0347(11) Uani 1 1 d .
H2 H 0.3012 0.5288 0.3215 0.042 Uiso 1 1 calc R
C3 C 0.3260(5) 0.4133(4) 0.3873(5) 0.0387(11) Uani 1 1 d .
H3 H 0.3173 0.3625 0.3220 0.046 Uiso 1 1 calc R
C4 C 0.3477(5) 0.3892(4) 0.4820(4) 0.0346(11) Uani 1 1 d .
H4 H 0.3535 0.3214 0.4817 0.042 Uiso 1 1 calc R
C5 C 0.3609(5) 0.4623(4) 0.5768(4) 0.0407(12) Uani 1 1 d .
H5 H 0.3750 0.4446 0.6416 0.049 Uiso 1 1 calc R
C6 C 0.3538(5) 0.5622(4) 0.5785(4) 0.0329(10) Uani 1 1 d .
H6 H 0.3652 0.6137 0.6449 0.039 Uiso 1 1 calc R
C7 C 0.1897(4) 0.7132(4) 0.5090(4) 0.0231(8) Uani 1 1 d .
C8 C 0.0791(4) 0.6156(4) 0.4527(5) 0.0343(11) Uani 1 1 d .
H8 H 0.0738 0.5488 0.4071 0.041 Uiso 1 1 calc R
C9 C -0.0247(5) 0.6159(5) 0.4634(6) 0.0477(14) Uani 1 1 d .
H9 H -0.1009 0.5490 0.4249 0.057 Uiso 1 1 calc R
C10 C -0.0172(5) 0.7118(5) 0.5290(5) 0.0470(14) Uani 1 1 d .
H10 H -0.0885 0.7109 0.5359 0.056 Uiso 1 1 calc R
C11 C 0.0921(5) 0.8096(5) 0.5854(5) 0.0417(12) Uani 1 1 d .
H11 H 0.0963 0.8758 0.6310 0.050 Uiso 1 1 calc R
C12 C 0.1965(5) 0.8110(4) 0.5755(4) 0.0304(10) Uani 1 1 d .
H12 H 0.2722 0.8783 0.6139 0.036 Uiso 1 1 calc R
C13 C 0.1718(4) 0.8748(3) 0.3546(3) 0.0170(7) Uani 1 1 d .
C14 C 0.0518(4) 0.7849(4) 0.2897(3) 0.0221(8) Uani 1 1 d .
H14 H 0.0406 0.7138 0.2469 0.027 Uiso 1 1 calc R
C15 C -0.0504(4) 0.8002(4) 0.2883(4) 0.0272(9) Uani 1 1 d .
H15 H -0.1318 0.7390 0.2456 0.033 Uiso 1 1 calc R
C16 C -0.0345(4) 0.9045(4) 0.3491(4) 0.0291(9) Uani 1 1 d .
H16 H -0.1054 0.9147 0.3469 0.035 Uiso 1 1 calc R
C17 C 0.0836(4) 0.9936(4) 0.4128(4) 0.0282(9) Uani 1 1 d .
H17 H 0.0937 1.0649 0.4539 0.034 Uiso 1 1 calc R
C18 C 0.1876(4) 0.9793(3) 0.4169(3) 0.0224(8) Uani 1 1 d .
H18 H 0.2691 1.0402 0.4618 0.027 Uiso 1 1 calc R
C19 C 0.8260(4) 0.9947(3) 0.8255(3) 0.0195(8) Uani 1 1 d .
C20 C 0.9456(4) 1.0819(4) 0.8967(4) 0.0259(9) Uani 1 1 d .
H20 H 0.9558 1.1547 0.9335 0.031 Uiso 1 1 calc R
C21 C 1.0503(4) 1.0625(4) 0.9139(4) 0.0312(10) Uani 1 1 d .
H21 H 1.1323 1.1222 0.9621 0.037 Uiso 1 1 calc R
C22 C 1.0354(4) 0.9572(4) 0.8612(4) 0.0319(10) Uani 1 1 d .
H22 H 1.1074 0.9447 0.8724 0.038 Uiso 1 1 calc R
C23 C 0.9169(5) 0.8693(4) 0.7920(4) 0.0342(10) Uani 1 1 d .
H23 H 0.9074 0.7963 0.7573 0.041 Uiso 1 1 calc R
C24 C 0.8118(4) 0.8880(4) 0.7735(4) 0.0266(9) Uani 1 1 d .
H24 H 0.7300 0.8279 0.7252 0.032 Uiso 1 1 calc R
C25 C 0.6722(4) 1.0279(4) 0.9261(3) 0.0226(8) Uani 1 1 d .
C26 C 0.7048(5) 1.1290(5) 1.0071(4) 0.0355(11) Uani 1 1 d .
H26 H 0.7332 1.1967 0.9968 0.043 Uiso 1 1 calc R
C27 C 0.6953(6) 1.1298(5) 1.1043(4) 0.0466(14) Uani 1 1 d .
H27 H 0.7182 1.1985 1.1611 0.056 Uiso 1 1 calc R
C28 C 0.6524(5) 1.0303(6) 1.1181(4) 0.0440(14) Uani 1 1 d .
H28 H 0.6459 1.0315 1.1842 0.053 Uiso 1 1 calc R
C29 C 0.6194(5) 0.9307(5) 1.0374(4) 0.0406(12) Uani 1 1 d .
H29 H 0.5902 0.8631 1.0477 0.049 Uiso 1 1 calc R
C30 C 0.6285(4) 0.9284(4) 0.9405(4) 0.0317(10) Uani 1 1 d .
H30 H 0.6051 0.8591 0.8842 0.038 Uiso 1 1 calc R
C31 C 0.2906(4) 0.7233(3) 0.3532(3) 0.0172(7) Uani 1 1 d .
H31A H 0.3490 0.7042 0.3311 0.021 Uiso 1 1 calc R
H31B H 0.2039 0.6664 0.2960 0.021 Uiso 1 1 calc R
C32 C 0.2870(4) 0.8504(3) 0.2130(3) 0.0161(7) Uani 1 1 d .
H32A H 0.3468 0.8248 0.2003 0.019 Uiso 1 1 calc R
H32B H 0.2007 0.7942 0.1538 0.019 Uiso 1 1 calc R
F1 F 0.3197(3) 0.1098(3) 0.7125(3) 0.0543(9) Uani 1 1 d .
F2 F 0.4570(3) 0.1719(3) 0.6545(3) 0.0496(8) Uani 1 1 d .
F3 F 0.5215(3) 0.2339(3) 0.8413(2) 0.0442(7) Uani 1 1 d .
F4 F 0.3012(3) 0.2262(2) 0.6244(2) 0.0391(7) Uani 1 1 d .
F5 F 0.3654(4) 0.2867(4) 0.8107(3) 0.0831(15) Uani 1 1 d .
F6 F 0.5039(3) 0.3486(3) 0.7496(4) 0.0720(12) Uani 1 1 d .
P1 P 0.32464(9) 0.71877(8) 0.49231(8) 0.01734(19) Uani 1 1 d .
P2 P 0.30649(9) 0.86053(8) 0.35329(8) 0.01421(18) Uani 1 1 d .
P3 P 0.68566(9) 1.01490(8) 0.79945(8) 0.01627(19) Uani 1 1 d .
P4 P 0.41078(10) 0.23094(9) 0.73319(9) 0.0244(2) Uani 1 1 d .
P5 P 0.9914(3) 0.4686(3) 0.0373(4) 0.104(2) Uani 0.50 1 d PD
F7 F 0.9919(9) 0.5891(7) 0.0411(10) 0.124(2) Uani 0.50 1 d PD
F8 F 1.1394(6) 0.5239(8) 0.0885(9) 0.124(2) Uani 0.50 1 d PD
F9 F 1.0107(8) 0.5020(8) 0.1614(7) 0.124(2) Uani 0.50 1 d PD
F10 F 0.9835(8) 0.3481(6) 0.0341(9) 0.124(2) Uani 0.50 1 d PD
F11 F 0.8425(6) 0.4164(8) -0.0154(9) 0.124(2) Uani 0.50 1 d PD
Au1 Au 0.506904(13) 0.869692(11) 0.640708(11) 0.01697(5) Uani 1 1 d .
Au2 Au 0.5000 1.0000 0.5000 0.01403(6) Uani 1 2 d S
F12 F 1.0343(9) 0.5771(11) 0.0857(8) 0.124(2) Uani 0.50 1 d P
O1 O 0.6315(9) 0.6931(6) 0.8355(7) 0.059(2) Uani 0.50 1 d PD
C34 C 0.6166(12) 0.6387(11) 0.8904(12) 0.082(3) Uani 0.50 1 d PDU
C33 C 0.4957(11) 0.6046(10) 0.8924(11) 0.082(3) Uani 0.50 1 d PD
H33A H 0.4446 0.6358 0.8488 0.123 Uiso 0.50 1 calc PR
H33B H 0.5130 0.6329 0.9711 0.123 Uiso 0.50 1 calc PR
H33C H 0.4501 0.5228 0.8587 0.123 Uiso 0.50 1 calc PR
C35 C 0.7106(12) 0.6046(10) 0.9471(10) 0.082(3) Uani 0.50 1 d PD
H35A H 0.7821 0.6342 0.9346 0.123 Uiso 0.50 1 calc PR
H35B H 0.6745 0.5227 0.9167 0.123 Uiso 0.50 1 calc PR
H35C H 0.7393 0.6336 1.0287 0.123 Uiso 0.50 1 calc PR
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'
O O 0.0106 0.0060 '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 C6 119.6(4) . .
C2 C1 P1 123.7(3) . .
C6 C1 P1 116.6(3) . .
C1 C2 C3 120.1(4) . .
C1 C2 H2 119.9 . .
C3 C2 H2 119.9 . .
C4 C3 C2 120.0(5) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C5 C4 C3 120.4(4) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 120.2(5) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C5 C6 C1 119.6(4) . .
C5 C6 H6 120.2 . .
C1 C6 H6 120.2 . .
C8 C7 C12 119.9(4) . .
C8 C7 P1 121.2(4) . .
C12 C7 P1 118.9(3) . .
C7 C8 C9 119.5(5) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C10 C9 C8 120.3(5) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C9 C10 C11 120.9(5) . .
C9 C10 H10 119.6 . .
C11 C10 H10 119.6 . .
C10 C11 C12 119.7(5) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C11 C12 C7 119.8(5) . .
C11 C12 H12 120.1 . .
C7 C12 H12 120.1 . .
C18 C13 C14 119.9(4) . .
C18 C13 P2 118.9(3) . .
C14 C13 P2 121.1(3) . .
C15 C14 C13 119.7(4) . .
C15 C14 H14 120.2 . .
C13 C14 H14 120.2 . .
C14 C15 C16 120.2(4) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
C17 C16 C15 120.4(4) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C16 C17 C18 120.1(4) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C18 C13 119.6(4) . .
C17 C18 H18 120.2 . .
C13 C18 H18 120.2 . .
C20 C19 C24 119.8(4) . .
C20 C19 P3 121.8(3) . .
C24 C19 P3 118.4(3) . .
C19 C20 C21 119.8(4) . .
C19 C20 H20 120.1 . .
C21 C20 H20 120.1 . .
C22 C21 C20 120.0(4) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C23 120.7(4) . .
C21 C22 H22 119.7 . .
C23 C22 H22 119.7 . .
C22 C23 C24 119.7(4) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C23 C24 C19 120.0(4) . .
C23 C24 H24 120.0 . .
C19 C24 H24 120.0 . .
C26 C25 C30 120.4(4) . .
C26 C25 P3 123.7(3) . .
C30 C25 P3 115.9(3) . .
C25 C26 C27 118.9(5) . .
C25 C26 H26 120.5 . .
C27 C26 H26 120.5 . .
C28 C27 C26 120.1(5) . .
C28 C27 H27 119.9 . .
C26 C27 H27 119.9 . .
C29 C28 C27 120.7(4) . .
C29 C28 H28 119.7 . .
C27 C28 H28 119.7 . .
C28 C29 C30 120.0(5) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C29 C30 C25 119.9(5) . .
C29 C30 H30 120.1 . .
C25 C30 H30 120.1 . .
P2 C31 P1 112.0(2) . .
P2 C31 H31A 109.2 . .
P1 C31 H31A 109.2 . .
P2 C31 H31B 109.2 . .
P1 C31 H31B 109.2 . .
H31A C31 H31B 107.9 . .
P3 C32 P2 111.3(2) 2_676 .
P3 C32 H32A 109.4 2_676 .
P2 C32 H32A 109.4 . .
P3 C32 H32B 109.4 2_676 .
P2 C32 H32B 109.4 . .
H32A C32 H32B 108.0 . .
C1 P1 C7 107.30(19) . .
C1 P1 C31 105.39(19) . .
C7 P1 C31 106.81(18) . .
C1 P1 Au1 112.85(14) . .
C7 P1 Au1 110.75(15) . .
C31 P1 Au1 113.32(13) . .
C13 P2 C31 107.41(18) . .
C13 P2 C32 105.69(17) . .
C31 P2 C32 104.37(17) . .
C13 P2 Au2 115.20(13) . .
C31 P2 Au2 110.82(13) . .
C32 P2 Au2 112.61(13) . .
C25 P3 C19 106.47(18) . .
C25 P3 C32 106.66(19) . 2_676
C19 P3 C32 107.82(18) . 2_676
C25 P3 Au1 111.30(15) . .
C19 P3 Au1 112.44(14) . .
C32 P3 Au1 111.82(12) 2_676 .
F5 P4 F6 92.2(3) . .
F5 P4 F1 90.8(3) . .
F6 P4 F1 176.9(2) . .
F5 P4 F4 90.51(19) . .
F6 P4 F4 90.78(18) . .
F1 P4 F4 89.17(17) . .
F5 P4 F3 90.58(18) . .
F6 P4 F3 89.6(2) . .
F1 P4 F3 90.43(18) . .
F4 P4 F3 178.85(18) . .
F5 P4 F2 178.9(3) . .
F6 P4 F2 88.7(2) . .
F1 P4 F2 88.3(2) . .
F4 P4 F2 90.07(17) . .
F3 P4 F2 88.84(17) . .
F12 P5 F9 173.8(7) 2_765 .
F12 P5 F8 93.3(6) 2_765 .
F9 P5 F8 89.5(5) . .
F12 P5 F11 86.3(6) 2_765 .
F9 P5 F11 91.0(5) . .
F8 P5 F11 178.1(7) . .
F12 P5 F10 84.7(7) 2_765 .
F9 P5 F10 89.6(5) . .
F8 P5 F10 93.5(5) . .
F11 P5 F10 88.4(5) . .
F12 P5 F7 96.7(7) 2_765 .
F9 P5 F7 88.8(5) . .
F8 P5 F7 89.5(5) . .
F11 P5 F7 88.6(5) . .
F10 P5 F7 176.6(5) . .
P1 Au1 P3 175.26(3) . .
P1 Au1 Au2 91.08(2) . .
P3 Au1 Au2 93.28(2) . .
P2 Au2 P2 180.00(5) . 2_676
P2 Au2 Au1 91.29(2) . .
P2 Au2 Au1 88.71(2) 2_676 .
P2 Au2 Au1 88.71(2) . 2_676
P2 Au2 Au1 91.29(2) 2_676 2_676
Au1 Au2 Au1 180.0 . 2_676
O1 C34 C35 120.6(12) . .
O1 C34 C33 117.5(10) . .
C35 C34 C33 121.9(14) . .
C34 C33 H33A 109.5 . .
C34 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C34 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.377(6) .
C1 C6 1.397(6) .
C1 P1 1.804(4) .
C2 C3 1.394(6) .
C2 H2 0.9500 .
C3 C4 1.374(7) .
C3 H3 0.9500 .
C4 C5 1.372(8) .
C4 H4 0.9500 .
C5 C6 1.390(7) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.383(6) .
C7 C12 1.394(6) .
C7 P1 1.811(4) .
C8 C9 1.395(7) .
C8 H8 0.9500 .
C9 C10 1.365(9) .
C9 H9 0.9500 .
C10 C11 1.376(9) .
C10 H10 0.9500 .
C11 C12 1.391(7) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.396(6) .
C13 C14 1.399(6) .
C13 P2 1.800(4) .
C14 C15 1.380(6) .
C14 H14 0.9500 .
C15 C16 1.386(6) .
C15 H15 0.9500 .
C16 C17 1.380(7) .
C16 H16 0.9500 .
C17 C18 1.386(6) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.386(6) .
C19 C24 1.390(6) .
C19 P3 1.813(4) .
C20 C21 1.387(6) .
C20 H20 0.9500 .
C21 C22 1.371(7) .
C21 H21 0.9500 .
C22 C23 1.380(7) .
C22 H22 0.9500 .
C23 C24 1.384(6) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.386(7) .
C25 C30 1.395(6) .
C25 P3 1.806(4) .
C26 C27 1.399(7) .
C26 H26 0.9500 .
C27 C28 1.388(9) .
C27 H27 0.9500 .
C28 C29 1.367(9) .
C28 H28 0.9500 .
C29 C30 1.389(6) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 P2 1.822(4) .
C31 P1 1.830(4) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 P3 1.826(4) 2_676
C32 P2 1.832(4) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
F1 P4 1.589(3) .
F2 P4 1.607(3) .
F3 P4 1.602(3) .
F4 P4 1.589(3) .
F5 P4 1.566(3) .
F6 P4 1.584(3) .
P1 Au1 2.3142(10) .
P2 Au2 2.3180(9) .
P3 C32 1.826(4) 2_676
P3 Au1 2.3178(10) .
P5 F12 1.538(9) 2_765
P5 F9 1.577(8) .
P5 F8 1.585(7) .
P5 F11 1.593(7) .
P5 F10 1.607(8) .
P5 F7 1.631(8) .
Au1 Au2 2.92431(15) .
Au2 P2 2.3181(10) 2_676
Au2 Au1 2.92433(14) 2_676
F12 P5 1.538(9) 2_765
O1 C34 1.205(19) .
C34 C35 1.439(13) .
C34 C33 1.488(14) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
