#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/76/2017643.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2017643
loop_
_publ_author_name
'Tunyogi, Tünde'
'Deák, Andrea'
_publ_section_title
;
 [μ-4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene]bis[(trifluoroacetato)gold(I)]
 and its dichloromethane 0.58-solvate
;
_journal_coeditor_code           FG3162
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m133
_journal_page_last               m136
_journal_paper_doi               10.1107/S0108270110013363
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Au2 (C2 F3 O2)2 (C39 H32 O1 P2)], 0.58C H2 Cl2'
_chemical_formula_moiety         'C43 H32 Au2 F6 O5 P2 , 0.58C H2 Cl2'
_chemical_formula_sum            'C43.58 H33.16 Au2 Cl1.15 F6 O5 P2'
_chemical_formula_weight         1247.60
_chemical_name_systematic
;
[μ-4,5-Bis(diphenylphosphino)-9,9-
dimethylxanthene]bis[(trifluoroacetato)gold(I)] dichloromethane 0.58-solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 100.253(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.548(3)
_cell_length_b                   17.028(4)
_cell_length_c                   24.724(7)
_cell_measurement_reflns_used    92961
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      3.04
_cell_volume                     4370(2)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material
;
WinGX (Farrugia, 1999), PLATON (Spek, 2009),
SHELXL97 (Sheldrick, 2008), enCIFer (Allen et al., 2004)
and
publCIF (Westrip, 2010)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            99529
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    6.920
_exptl_absorpt_correction_T_max  0.050
_exptl_absorpt_correction_T_min  0.021
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku/MSC, 2005)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2385
_exptl_crystal_size_max          0.64
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.43
_refine_diff_density_max         1.040
_refine_diff_density_min         -1.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         7703
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0365
_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)+(0.0263P)²+15.3298P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.0924
_reflns_number_gt                6972
_reflns_number_total             7703
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            fg3162.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2017643
_cod_database_fobs_code          2017643
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.24156(2) 0.147441(14) 0.207456(10) 0.04753(9) Uani d . 1 . .
Au Au2 0.16507(2) 0.004702(14) 0.260655(10) 0.04694(9) Uani d . 1 . .
P P1 0.20030(15) 0.24986(9) 0.25665(6) 0.0406(3) Uani d . 1 . .
P P2 0.33771(16) -0.00126(9) 0.32663(7) 0.0417(4) Uani d . 1 . .
C C1 0.0907(6) 0.2495(3) 0.3052(2) 0.0422(13) Uani d . 1 . .
C C2 -0.0031(6) 0.3084(4) 0.3018(3) 0.0519(16) Uani d . 1 . .
H H2 -0.0203 0.3397 0.2706 0.062 Uiso calc R 1 . .
C C3 -0.0708(6) 0.3206(4) 0.3444(3) 0.0577(18) Uani d . 1 . .
H H3 -0.1327 0.3599 0.3417 0.069 Uiso calc R 1 . .
C C4 -0.0454(7) 0.2740(4) 0.3906(3) 0.0553(17) Uani d . 1 . .
H H4 -0.0902 0.2832 0.4192 0.066 Uiso calc R 1 . .
C C5 0.0444(6) 0.2139(4) 0.3961(2) 0.0435(14) Uani d . 1 . .
C C6 0.0728(6) 0.1680(4) 0.4480(2) 0.0486(15) Uani d . 1 . .
C C7 0.1753(6) 0.1063(4) 0.4457(2) 0.0445(14) Uani d . 1 . .
C C8 0.2182(7) 0.0579(4) 0.4903(2) 0.0558(17) Uani d . 1 . .
H H8 0.1899 0.0676 0.5232 0.067 Uiso calc R 1 . .
C C9 0.3004(8) -0.0035(4) 0.4877(3) 0.064(2) Uani d . 1 . .
H H9 0.3290 -0.0341 0.5186 0.077 Uiso calc R 1 . .
C C10 0.3401(7) -0.0195(4) 0.4392(3) 0.0550(16) Uani d . 1 . .
H H10 0.3935 -0.0623 0.4368 0.066 Uiso calc R 1 . .
C C11 0.3016(6) 0.0277(4) 0.3934(2) 0.0433(13) Uani d . 1 . .
C C12 0.2234(6) 0.0922(3) 0.3986(2) 0.0415(13) Uani d . 1 . .
O O1 0.1981(4) 0.1408(2) 0.35332(16) 0.0439(9) Uani d . 1 . .
C C13 0.1090(6) 0.2004(3) 0.3527(2) 0.0425(13) Uani d . 1 . .
C C14 -0.0504(7) 0.1255(5) 0.4581(3) 0.0638(19) Uani d . 1 . .
H H14A -0.0751 0.0867 0.4301 0.096 Uiso calc R 1 . .
H H14B -0.1188 0.1630 0.4571 0.096 Uiso calc R 1 . .
H H14C -0.0338 0.1005 0.4935 0.096 Uiso calc R 1 . .
C C15 0.1181(9) 0.2249(5) 0.4963(3) 0.079(2) Uani d . 1 . .
H H15A 0.1452 0.1952 0.5294 0.118 Uiso calc R 1 . .
H H15B 0.0483 0.2589 0.5010 0.118 Uiso calc R 1 . .
H H15C 0.1888 0.2558 0.4886 0.118 Uiso calc R 1 . .
C C21 0.1285(6) 0.3216(3) 0.2046(2) 0.0419(13) Uani d . 1 . .
C C22 0.1637(7) 0.3998(4) 0.2066(3) 0.0590(18) Uani d . 1 . .
H H22 0.2267 0.4184 0.2349 0.071 Uiso calc R 1 . .
C C23 0.1038(8) 0.4498(4) 0.1661(3) 0.069(2) Uani d . 1 . .
H H23 0.1260 0.5027 0.1678 0.083 Uiso calc R 1 . .
C C24 0.0131(7) 0.4239(4) 0.1237(3) 0.0607(18) Uani d . 1 . .
H H24 -0.0248 0.4587 0.0965 0.073 Uiso calc R 1 . .
C C25 -0.0223(7) 0.3454(4) 0.1212(3) 0.0573(17) Uani d . 1 . .
H H25 -0.0849 0.3272 0.0926 0.069 Uiso calc R 1 . .
C C26 0.0359(6) 0.2948(4) 0.1614(2) 0.0515(15) Uani d . 1 . .
H H26 0.0130 0.2419 0.1596 0.062 Uiso calc R 1 . .
C C31 0.3417(6) 0.2975(4) 0.2945(2) 0.0435(14) Uani d . 1 . .
C C32 0.3354(7) 0.3511(5) 0.3346(3) 0.069(2) Uani d . 1 . .
H H32 0.2577 0.3593 0.3465 0.083 Uiso calc R 1 . .
C C33 0.4429(8) 0.3935(5) 0.3580(4) 0.082(3) Uani d . 1 . .
H H33 0.4372 0.4299 0.3855 0.099 Uiso calc R 1 . .
C C34 0.5574(8) 0.3821(5) 0.3407(4) 0.075(2) Uani d . 1 . .
H H34 0.6292 0.4117 0.3556 0.090 Uiso calc R 1 . .
C C35 0.5660(7) 0.3268(5) 0.3015(3) 0.072(2) Uani d . 1 . .
H H35 0.6448 0.3176 0.2908 0.086 Uiso calc R 1 . .
C C36 0.4591(6) 0.2846(4) 0.2777(3) 0.0555(16) Uani d . 1 . .
H H36 0.4653 0.2478 0.2505 0.067 Uiso calc R 1 . .
C C41 0.4751(6) 0.0564(3) 0.3148(2) 0.0433(13) Uani d . 1 . .
C C42 0.5432(7) 0.1029(4) 0.3552(3) 0.0582(17) Uani d . 1 . .
H H42 0.5159 0.1087 0.3888 0.070 Uiso calc R 1 . .
C C43 0.6544(8) 0.1414(5) 0.3454(4) 0.075(2) Uani d . 1 . .
H H43 0.7005 0.1739 0.3721 0.090 Uiso calc R 1 . .
C C44 0.6946(8) 0.1312(5) 0.2964(4) 0.078(2) Uani d . 1 . .
H H44 0.7701 0.1554 0.2905 0.093 Uiso calc R 1 . .
C C45 0.6267(8) 0.0865(5) 0.2562(4) 0.071(2) Uani d . 1 . .
H H45 0.6546 0.0817 0.2228 0.085 Uiso calc R 1 . .
C C46 0.5156(7) 0.0478(4) 0.2644(3) 0.0547(16) Uani d . 1 . .
H H46 0.4693 0.0168 0.2368 0.066 Uiso calc R 1 . .
C C51 0.3990(6) -0.1010(4) 0.3370(3) 0.0483(15) Uani d . 1 . .
C C52 0.5279(7) -0.1167(4) 0.3563(3) 0.0593(18) Uani d . 1 . .
H H52 0.5878 -0.0761 0.3624 0.071 Uiso calc R 1 . .
C C53 0.5664(8) -0.1944(5) 0.3665(3) 0.072(2) Uani d . 1 . .
H H53 0.6525 -0.2057 0.3799 0.087 Uiso calc R 1 . .
C C54 0.4784(10) -0.2542(5) 0.3570(3) 0.075(2) Uani d . 1 . .
H H54 0.5051 -0.3057 0.3647 0.090 Uiso calc R 1 . .
C C55 0.3529(9) -0.2392(4) 0.3364(3) 0.072(2) Uani d . 1 . .
H H55 0.2949 -0.2806 0.3290 0.086 Uiso calc R 1 . .
C C56 0.3104(7) -0.1630(4) 0.3262(3) 0.0587(17) Uani d . 1 . .
H H56 0.2241 -0.1529 0.3124 0.070 Uiso calc R 1 . .
O O2 0.2740(6) 0.0665(3) 0.14759(19) 0.0745(15) Uani d . 1 . .
O O3 0.2109(14) 0.1561(5) 0.0886(3) 0.186(5) Uani d . 1 . .
C C16 0.2440(9) 0.0916(5) 0.1013(3) 0.076(2) Uani d . 1 . .
C C17 0.247(2) 0.0358(9) 0.0545(5) 0.148(6) Uani d . 1 . .
F F1 0.1950(13) -0.0335(5) 0.0638(4) 0.205(5) Uani d . 1 . .
F F2 0.1972(16) 0.0613(6) 0.0084(3) 0.298(9) Uani d . 1 . .
F F3 0.3596(16) 0.0156(9) 0.0506(5) 0.259(8) Uani d . 1 . .
O O4 0.0107(5) -0.0001(3) 0.1960(2) 0.0654(14) Uani d . 1 . .
O O5 -0.0791(5) 0.1143(4) 0.2119(3) 0.0835(17) Uani d . 1 . .
C C18 -0.0635(6) 0.0570(4) 0.1852(3) 0.0531(16) Uani d . 1 . .
C C19 -0.1423(9) 0.0513(6) 0.1270(3) 0.076(2) Uani d . 1 . .
F F4 -0.1472(8) -0.0152(4) 0.1042(3) 0.149(3) Uani d . 1 . .
F F5 -0.2637(6) 0.0691(5) 0.1246(3) 0.157(3) Uani d . 1 . .
F F6 -0.1022(9) 0.0976(6) 0.0941(3) 0.205(5) Uani d . 1 . .
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Au1 P1 . . 168.40(14) ?
O2 Au1 Au2 . . 82.24(15) ?
P1 Au1 Au2 . . 107.98(4) ?
O4 Au2 P2 . . 174.18(14) ?
O4 Au2 Au1 . . 85.89(14) ?
P2 Au2 Au1 . . 96.42(4) ?
C31 P1 C1 . . 102.9(3) ?
C31 P1 C21 . . 105.3(3) ?
C1 P1 C21 . . 103.6(3) ?
C31 P1 Au1 . . 114.5(2) ?
C1 P1 Au1 . . 125.0(2) ?
C21 P1 Au1 . . 103.6(2) ?
C41 P2 C51 . . 104.7(3) ?
C41 P2 C11 . . 107.5(3) ?
C51 P2 C11 . . 104.5(3) ?
C41 P2 Au2 . . 115.5(2) ?
C51 P2 Au2 . . 111.8(2) ?
C11 P2 Au2 . . 112.1(2) ?
C2 C1 C13 . . 117.4(5) ?
C2 C1 P1 . . 119.1(4) ?
C13 C1 P1 . . 122.7(4) ?
C3 C2 C1 . . 121.0(6) ?
C3 C2 H2 . . 119.5 ?
C1 C2 H2 . . 119.5 ?
C4 C3 C2 . . 119.5(6) ?
C4 C3 H3 . . 120.3 ?
C2 C3 H3 . . 120.3 ?
C3 C4 C5 . . 122.4(6) ?
C3 C4 H4 . . 118.8 ?
C5 C4 H4 . . 118.8 ?
C4 C5 C13 . . 117.9(6) ?
C4 C5 C6 . . 120.1(5) ?
C13 C5 C6 . . 121.9(6) ?
C5 C6 C7 . . 111.6(5) ?
C5 C6 C15 . . 109.0(6) ?
C7 C6 C15 . . 109.8(6) ?
C5 C6 C14 . . 109.9(5) ?
C7 C6 C14 . . 107.9(5) ?
C15 C6 C14 . . 108.7(6) ?
C12 C7 C8 . . 117.0(6) ?
C12 C7 C6 . . 121.8(5) ?
C8 C7 C6 . . 121.1(5) ?
C9 C8 C7 . . 122.5(6) ?
C9 C8 H8 . . 118.8 ?
C7 C8 H8 . . 118.8 ?
C10 C9 C8 . . 119.3(6) ?
C10 C9 H9 . . 120.3 ?
C8 C9 H9 . . 120.3 ?
C9 C10 C11 . . 120.6(7) ?
C9 C10 H10 . . 119.7 ?
C11 C10 H10 . . 119.7 ?
C10 C11 C12 . . 118.3(6) ?
C10 C11 P2 . . 120.2(5) ?
C12 C11 P2 . . 121.2(4) ?
C7 C12 O1 . . 122.5(5) ?
C7 C12 C11 . . 122.0(5) ?
O1 C12 C11 . . 115.5(5) ?
C12 O1 C13 . . 118.8(4) ?
O1 C13 C5 . . 122.7(5) ?
O1 C13 C1 . . 115.6(5) ?
C5 C13 C1 . . 121.7(5) ?
C6 C14 H14A . . 109.5 ?
C6 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C6 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C6 C15 H15A . . 109.5 ?
C6 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C6 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C22 C21 C26 . . 119.5(6) ?
C22 C21 P1 . . 122.8(5) ?
C26 C21 P1 . . 117.8(5) ?
C23 C22 C21 . . 118.9(7) ?
C23 C22 H22 . . 120.5 ?
C21 C22 H22 . . 120.5 ?
C24 C23 C22 . . 121.9(7) ?
C24 C23 H23 . . 119.1 ?
C22 C23 H23 . . 119.1 ?
C23 C24 C25 . . 119.6(6) ?
C23 C24 H24 . . 120.2 ?
C25 C24 H24 . . 120.2 ?
C26 C25 C24 . . 119.4(7) ?
C26 C25 H25 . . 120.3 ?
C24 C25 H25 . . 120.3 ?
C25 C26 C21 . . 120.8(6) ?
C25 C26 H26 . . 119.6 ?
C21 C26 H26 . . 119.6 ?
C32 C31 C36 . . 119.0(6) ?
C32 C31 P1 . . 122.5(5) ?
C36 C31 P1 . . 118.1(5) ?
C31 C32 C33 . . 121.0(7) ?
C31 C32 H32 . . 119.5 ?
C33 C32 H32 . . 119.5 ?
C34 C33 C32 . . 120.0(8) ?
C34 C33 H33 . . 120.0 ?
C32 C33 H33 . . 120.0 ?
C33 C34 C35 . . 119.7(7) ?
C33 C34 H34 . . 120.2 ?
C35 C34 H34 . . 120.2 ?
C34 C35 C36 . . 120.7(7) ?
C34 C35 H35 . . 119.7 ?
C36 C35 H35 . . 119.7 ?
C35 C36 C31 . . 119.6(7) ?
C35 C36 H36 . . 120.2 ?
C31 C36 H36 . . 120.2 ?
C42 C41 C46 . . 120.5(6) ?
C42 C41 P2 . . 121.6(5) ?
C46 C41 P2 . . 117.8(5) ?
C41 C42 C43 . . 119.2(7) ?
C41 C42 H42 . . 120.4 ?
C43 C42 H42 . . 120.4 ?
C44 C43 C42 . . 119.8(8) ?
C44 C43 H43 . . 120.1 ?
C42 C43 H43 . . 120.1 ?
C45 C44 C43 . . 121.1(8) ?
C45 C44 H44 . . 119.4 ?
C43 C44 H44 . . 119.4 ?
C44 C45 C46 . . 120.8(7) ?
C44 C45 H45 . . 119.6 ?
C46 C45 H45 . . 119.6 ?
C45 C46 C41 . . 118.6(7) ?
C45 C46 H46 . . 120.7 ?
C41 C46 H46 . . 120.7 ?
C52 C51 C56 . . 119.9(6) ?
C52 C51 P2 . . 122.1(5) ?
C56 C51 P2 . . 117.9(5) ?
C51 C52 C53 . . 118.9(7) ?
C51 C52 H52 . . 120.6 ?
C53 C52 H52 . . 120.6 ?
C54 C53 C52 . . 120.5(8) ?
C54 C53 H53 . . 119.7 ?
C52 C53 H53 . . 119.7 ?
C55 C54 C53 . . 120.8(7) ?
C55 C54 H54 . . 119.6 ?
C53 C54 H54 . . 119.6 ?
C54 C55 C56 . . 120.6(8) ?
C54 C55 H55 . . 119.7 ?
C56 C55 H55 . . 119.7 ?
C55 C56 C51 . . 119.3(7) ?
C55 C56 H56 . . 120.4 ?
C51 C56 H56 . . 120.4 ?
C16 O2 Au1 . . 112.8(5) ?
O3 C16 O2 . . 126.6(8) ?
O3 C16 C17 . . 115.6(9) ?
O2 C16 C17 . . 117.8(8) ?
F2 C17 F3 . . 106.1(17) ?
F2 C17 F1 . . 109.9(17) ?
F3 C17 F1 . . 101.3(12) ?
F2 C17 C16 . . 114.8(10) ?
F3 C17 C16 . . 112.7(17) ?
F1 C17 C16 . . 111.1(14) ?
C18 O4 Au2 . . 120.7(4) ?
O5 C18 O4 . . 131.0(7) ?
O5 C18 C19 . . 117.5(7) ?
O4 C18 C19 . . 111.5(6) ?
F6 C19 F4 . . 105.4(9) ?
F6 C19 F5 . . 105.4(9) ?
F4 C19 F5 . . 103.1(9) ?
F6 C19 C18 . . 112.3(8) ?
F4 C19 C18 . . 116.7(7) ?
F5 C19 C18 . . 113.0(7) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 O2 . 2.094(5) ?
Au1 P1 . 2.2133(16) ?
Au1 Au2 . 2.9439(6) ?
Au2 O4 . 2.071(5) ?
Au2 P2 . 2.2202(17) ?
P1 C31 . 1.806(6) ?
P1 C1 . 1.809(6) ?
P1 C21 . 1.837(6) ?
P2 C41 . 1.817(6) ?
P2 C51 . 1.818(6) ?
P2 C11 . 1.828(6) ?
C1 C2 . 1.400(8) ?
C1 C13 . 1.426(8) ?
C2 C3 . 1.389(9) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.377(9) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.385(9) ?
C4 H4 . 0.9300 ?
C5 C13 . 1.388(8) ?
C5 C6 . 1.486(8) ?
C6 C7 . 1.516(9) ?
C6 C15 . 1.546(9) ?
C6 C14 . 1.547(9) ?
C7 C12 . 1.372(8) ?
C7 C8 . 1.386(9) ?
C8 C9 . 1.368(10) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.366(10) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.387(9) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.394(8) ?
C12 O1 . 1.379(7) ?
O1 C13 . 1.382(7) ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C21 C22 . 1.381(9) ?
C21 C26 . 1.391(8) ?
C22 C23 . 1.380(9) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.361(11) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.387(10) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.375(9) ?
C25 H25 . 0.9300 ?
C26 H26 . 0.9300 ?
C31 C32 . 1.357(9) ?
C31 C36 . 1.393(9) ?
C32 C33 . 1.382(10) ?
C32 H32 . 0.9300 ?
C33 C34 . 1.364(11) ?
C33 H33 . 0.9300 ?
C34 C35 . 1.366(12) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.378(10) ?
C35 H35 . 0.9300 ?
C36 H36 . 0.9300 ?
C41 C42 . 1.373(9) ?
C41 C46 . 1.397(8) ?
C42 C43 . 1.403(10) ?
C42 H42 . 0.9300 ?
C43 C44 . 1.364(12) ?
C43 H43 . 0.9300 ?
C44 C45 . 1.350(12) ?
C44 H44 . 0.9300 ?
C45 C46 . 1.390(10) ?
C45 H45 . 0.9300 ?
C46 H46 . 0.9300 ?
C51 C52 . 1.385(9) ?
C51 C56 . 1.405(9) ?
C52 C53 . 1.393(10) ?
C52 H52 . 0.9300 ?
C53 C54 . 1.370(12) ?
C53 H53 . 0.9300 ?
C54 C55 . 1.355(12) ?
C54 H54 . 0.9300 ?
C55 C56 . 1.381(10) ?
C55 H55 . 0.9300 ?
C56 H56 . 0.9300 ?
O2 C16 . 1.210(9) ?
O3 C16 . 1.178(10) ?
C16 C17 . 1.501(14) ?
C17 F2 . 1.248(13) ?
C17 F3 . 1.25(2) ?
C17 F1 . 1.34(2) ?
O4 C18 . 1.247(8) ?
O5 C18 . 1.205(8) ?
C18 C19 . 1.532(10) ?
C19 F6 . 1.257(10) ?
C19 F4 . 1.262(10) ?
C19 F5 . 1.308(10) ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 Au1 Au2 O4 . . . . -67.6(2) ?
P1 Au1 Au2 O4 . . . . 106.74(16) ?
O2 Au1 Au2 P2 . . . . 107.03(17) ?
P1 Au1 Au2 P2 . . . . -78.62(6) ?
O2 Au1 P1 C31 . . . . -100.3(9) ?
Au2 Au1 P1 C31 . . . . 108.7(2) ?
O2 Au1 P1 C1 . . . . 131.5(9) ?
Au2 Au1 P1 C1 . . . . -19.4(3) ?
O2 Au1 P1 C21 . . . . 13.9(9) ?
Au2 Au1 P1 C21 . . . . -137.1(2) ?
Au1 Au2 P2 C41 . . . . -17.3(2) ?
Au1 Au2 P2 C51 . . . . -136.9(2) ?
Au1 Au2 P2 C11 . . . . 106.2(2) ?
C31 P1 C1 C2 . . . . 97.4(5) ?
C21 P1 C1 C2 . . . . -12.1(6) ?
Au1 P1 C1 C2 . . . . -129.8(5) ?
C31 P1 C1 C13 . . . . -71.3(5) ?
C21 P1 C1 C13 . . . . 179.2(5) ?
Au1 P1 C1 C13 . . . . 61.4(6) ?
C13 C1 C2 C3 . . . . 3.0(9) ?
P1 C1 C2 C3 . . . . -166.3(5) ?
C1 C2 C3 C4 . . . . -0.1(11) ?
C2 C3 C4 C5 . . . . -1.1(11) ?
C3 C4 C5 C13 . . . . -0.8(10) ?
C3 C4 C5 C6 . . . . 176.9(6) ?
C4 C5 C6 C7 . . . . -178.9(6) ?
C13 C5 C6 C7 . . . . -1.4(8) ?
C4 C5 C6 C15 . . . . -57.6(8) ?
C13 C5 C6 C15 . . . . 120.0(7) ?
C4 C5 C6 C14 . . . . 61.4(8) ?
C13 C5 C6 C14 . . . . -121.0(7) ?
C5 C6 C7 C12 . . . . -5.7(8) ?
C15 C6 C7 C12 . . . . -126.7(7) ?
C14 C6 C7 C12 . . . . 115.1(6) ?
C5 C6 C7 C8 . . . . 178.7(6) ?
C15 C6 C7 C8 . . . . 57.8(8) ?
C14 C6 C7 C8 . . . . -60.5(8) ?
C12 C7 C8 C9 . . . . -2.7(10) ?
C6 C7 C8 C9 . . . . 173.1(6) ?
C7 C8 C9 C10 . . . . -1.6(11) ?
C8 C9 C10 C11 . . . . 2.4(11) ?
C9 C10 C11 C12 . . . . 1.0(10) ?
C9 C10 C11 P2 . . . . -172.0(6) ?
C41 P2 C11 C10 . . . . -101.7(6) ?
C51 P2 C11 C10 . . . . 9.2(6) ?
Au2 P2 C11 C10 . . . . 130.4(5) ?
C41 P2 C11 C12 . . . . 85.5(5) ?
C51 P2 C11 C12 . . . . -163.7(5) ?
Au2 P2 C11 C12 . . . . -42.5(5) ?
C8 C7 C12 O1 . . . . -173.6(6) ?
C6 C7 C12 O1 . . . . 10.7(9) ?
C8 C7 C12 C11 . . . . 6.3(9) ?
C6 C7 C12 C11 . . . . -169.4(6) ?
C10 C11 C12 C7 . . . . -5.5(9) ?
P2 C11 C12 C7 . . . . 167.4(5) ?
C10 C11 C12 O1 . . . . 174.3(6) ?
P2 C11 C12 O1 . . . . -12.7(7) ?
C7 C12 O1 C13 . . . . -7.9(8) ?
C11 C12 O1 C13 . . . . 172.3(5) ?
C12 O1 C13 C5 . . . . 0.4(8) ?
C12 O1 C13 C1 . . . . 178.3(5) ?
C4 C5 C13 O1 . . . . -178.3(6) ?
C6 C5 C13 O1 . . . . 4.0(9) ?
C4 C5 C13 C1 . . . . 3.9(9) ?
C6 C5 C13 C1 . . . . -173.7(6) ?
C2 C1 C13 O1 . . . . 177.1(5) ?
P1 C1 C13 O1 . . . . -14.0(7) ?
C2 C1 C13 C5 . . . . -5.0(9) ?
P1 C1 C13 C5 . . . . 163.9(5) ?
C31 P1 C21 C22 . . . . -14.1(6) ?
C1 P1 C21 C22 . . . . 93.6(6) ?
Au1 P1 C21 C22 . . . . -134.6(5) ?
C31 P1 C21 C26 . . . . 165.2(5) ?
C1 P1 C21 C26 . . . . -87.0(5) ?
Au1 P1 C21 C26 . . . . 44.7(5) ?
C26 C21 C22 C23 . . . . 1.3(10) ?
P1 C21 C22 C23 . . . . -179.3(6) ?
C21 C22 C23 C24 . . . . -1.4(12) ?
C22 C23 C24 C25 . . . . 1.1(12) ?
C23 C24 C25 C26 . . . . -0.7(11) ?
C24 C25 C26 C21 . . . . 0.7(10) ?
C22 C21 C26 C25 . . . . -1.0(10) ?
P1 C21 C26 C25 . . . . 179.6(5) ?
C1 P1 C31 C32 . . . . -28.4(7) ?
C21 P1 C31 C32 . . . . 79.8(6) ?
Au1 P1 C31 C32 . . . . -167.1(5) ?
C1 P1 C31 C36 . . . . 158.5(5) ?
C21 P1 C31 C36 . . . . -93.3(5) ?
Au1 P1 C31 C36 . . . . 19.8(6) ?
C36 C31 C32 C33 . . . . 1.2(12) ?
P1 C31 C32 C33 . . . . -171.8(7) ?
C31 C32 C33 C34 . . . . 0.1(14) ?
C32 C33 C34 C35 . . . . -2.0(14) ?
C33 C34 C35 C36 . . . . 2.5(13) ?
C34 C35 C36 C31 . . . . -1.2(12) ?
C32 C31 C36 C35 . . . . -0.6(10) ?
P1 C31 C36 C35 . . . . 172.7(6) ?
C51 P2 C41 C42 . . . . -102.3(6) ?
C11 P2 C41 C42 . . . . 8.4(6) ?
Au2 P2 C41 C42 . . . . 134.3(5) ?
C51 P2 C41 C46 . . . . 73.2(5) ?
C11 P2 C41 C46 . . . . -176.1(5) ?
Au2 P2 C41 C46 . . . . -50.2(5) ?
C46 C41 C42 C43 . . . . -0.2(10) ?
P2 C41 C42 C43 . . . . 175.1(6) ?
C41 C42 C43 C44 . . . . -1.2(12) ?
C42 C43 C44 C45 . . . . 2.3(13) ?
C43 C44 C45 C46 . . . . -1.9(13) ?
C44 C45 C46 C41 . . . . 0.4(11) ?
C42 C41 C46 C45 . . . . 0.6(10) ?
P2 C41 C46 C45 . . . . -174.9(5) ?
C41 P2 C51 C52 . . . . 25.8(6) ?
C11 P2 C51 C52 . . . . -87.0(6) ?
Au2 P2 C51 C52 . . . . 151.6(5) ?
C41 P2 C51 C56 . . . . -155.9(5) ?
C11 P2 C51 C56 . . . . 91.3(6) ?
Au2 P2 C51 C56 . . . . -30.2(6) ?
C56 C51 C52 C53 . . . . -2.2(10) ?
P2 C51 C52 C53 . . . . 176.1(5) ?
C51 C52 C53 C54 . . . . 0.7(11) ?
C52 C53 C54 C55 . . . . 1.4(12) ?
C53 C54 C55 C56 . . . . -2.1(13) ?
C54 C55 C56 C51 . . . . 0.6(12) ?
C52 C51 C56 C55 . . . . 1.6(10) ?
P2 C51 C56 C55 . . . . -176.7(6) ?
P1 Au1 O2 C16 . . . . -10.2(14) ?
Au2 Au1 O2 C16 . . . . 142.0(7) ?
Au1 O2 C16 O3 . . . . 6.8(16) ?
Au1 O2 C16 C17 . . . . -172.7(12) ?
O3 C16 C17 F2 . . . . -10(3) ?
O2 C16 C17 F2 . . . . 169.6(16) ?
O3 C16 C17 F3 . . . . 111.7(16) ?
O2 C16 C17 F3 . . . . -69(2) ?
O3 C16 C17 F1 . . . . -135.5(14) ?
O2 C16 C17 F1 . . . . 44(2) ?
Au1 Au2 O4 C18 . . . . -55.0(5) ?
Au2 O4 C18 O5 . . . . -15.6(11) ?
Au2 O4 C18 C19 . . . . 162.2(5) ?
O5 C18 C19 F6 . . . . 73.5(11) ?
O4 C18 C19 F6 . . . . -104.6(10) ?
O5 C18 C19 F4 . . . . -164.8(9) ?
O4 C18 C19 F4 . . . . 17.1(11) ?
O5 C18 C19 F5 . . . . -45.5(11) ?
O4 C18 C19 F5 . . . . 136.3(8) ?
