#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002192.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_7002192
loop_
_publ_author_name
'Bennett, Martin A.'
'Bhargava, Suresh K.'
'Mirzadeh, Nedaossadat'
'Privér, Steven H.'
'Wagler, Jörg'
'Willis, Anthony C.'
_publ_section_title
;
 Synthesis and interconversions of digold(i), tetragold(i), digold(ii),
 gold(i)--gold(iii) and digold(iii) complexes of fluorine-substituted
 aryl carbanions
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7537
_journal_page_last               7551
_journal_paper_doi               10.1039/b906769h
_journal_year                    2009
_chemical_formula_moiety         'C50 H30 Au2 F8 O4 P2, 0.5(C6 H14)'
_chemical_formula_sum            'C53 H37 Au2 F8 O4 P2'
_chemical_formula_weight         1345.70
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 99.8870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.14090(10)
_cell_length_b                   15.8124(2)
_cell_length_c                   24.6158(3)
_cell_measurement_reflns_used    278761
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      38.568
_cell_measurement_theta_min      2.546
_cell_volume                     4655.48(9)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        Scalepack
_computing_molecular_graphics    'ORTEP32 for windows (Farugia)'
_computing_publication_material  'Ciftab (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius Kappa CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0453
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            154997
_diffrn_reflns_theta_full        36.00
_diffrn_reflns_theta_max         36.00
_diffrn_reflns_theta_min         2.71
_exptl_absorpt_coefficient_mu    6.444
_exptl_absorpt_correction_T_max  0.522
_exptl_absorpt_correction_T_min  0.390
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SORTAV
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       piece
_exptl_crystal_F_000             2588
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.125
_refine_diff_density_min         -2.019
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         22018
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0260P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0594
_reflns_number_gt                17210
_reflns_number_total             22018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906769h.txt
_cod_data_source_block           neda00602
_cod_original_sg_symbol_Hall     -P2yn
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7002192
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.183002(7) 0.544732(5) 0.667068(3) 0.01281(2) Uani 1 1 d . . .
Au2 Au 0.050322(7) 0.567799(5) 0.734028(3) 0.01239(2) Uani 1 1 d . . .
P1 P 0.24973(5) 0.43166(3) 0.72445(2) 0.01432(10) Uani 1 1 d . . .
P2 P -0.07713(5) 0.59174(4) 0.65288(2) 0.01403(10) Uani 1 1 d . . .
F1 F 0.40548(12) 0.38585(9) 0.83527(6) 0.0238(3) Uani 1 1 d . . .
F2 F 0.42358(12) 0.47329(10) 0.93064(6) 0.0261(3) Uani 1 1 d . . .
F3 F 0.28774(13) 0.60633(10) 0.93869(6) 0.0277(3) Uani 1 1 d . . .
F4 F 0.13028(12) 0.65096(9) 0.85527(6) 0.0226(3) Uani 1 1 d . . .
F5 F -0.16037(12) 0.73623(9) 0.56675(6) 0.0266(3) Uani 1 1 d . . .
F6 F -0.03048(12) 0.83542(9) 0.51573(6) 0.0278(3) Uani 1 1 d . . .
F7 F 0.19527(12) 0.82067(8) 0.53915(6) 0.0219(3) Uani 1 1 d . . .
F8 F 0.29183(11) 0.69966(8) 0.60681(6) 0.0200(3) Uani 1 1 d . . .
O1 O 0.30184(13) 0.52107(10) 0.61554(7) 0.0185(3) Uani 1 1 d . . .
O2 O 0.17244(15) 0.43068(11) 0.57432(7) 0.0248(4) Uani 1 1 d . . .
O3 O -0.05789(13) 0.59045(10) 0.79046(7) 0.0188(3) Uani 1 1 d . . .
O4 O -0.13780(17) 0.46583(12) 0.76492(8) 0.0301(4) Uani 1 1 d . . .
C1 C 0.25637(18) 0.47480(14) 0.79322(9) 0.0155(4) Uani 1 1 d . . .
C2 C 0.33573(19) 0.45151(14) 0.83804(10) 0.0185(4) Uani 1 1 d . . .
C3 C 0.34638(19) 0.49552(16) 0.88745(9) 0.0199(4) Uani 1 1 d . . .
C4 C 0.2769(2) 0.56266(15) 0.89161(10) 0.0200(4) Uani 1 1 d . . .
C5 C 0.19461(19) 0.58457(14) 0.84713(9) 0.0168(4) Uani 1 1 d . . .
C6 C 0.18088(18) 0.54141(13) 0.79791(9) 0.0146(4) Uani 1 1 d . . .
C7 C 0.38967(18) 0.40405(14) 0.71547(9) 0.0165(4) Uani 1 1 d . . .
C8 C 0.4715(2) 0.46709(15) 0.72084(10) 0.0220(5) Uani 1 1 d . . .
H8 H 0.4537 0.5229 0.7307 0.026 Uiso 1 1 calc R . .
C9 C 0.5775(2) 0.44871(16) 0.71194(11) 0.0254(5) Uani 1 1 d . . .
H9 H 0.6337 0.4912 0.7169 0.030 Uiso 1 1 calc R . .
C10 C 0.6025(2) 0.36780(18) 0.69561(11) 0.0273(5) Uani 1 1 d . . .
H10 H 0.6751 0.3555 0.6883 0.033 Uiso 1 1 calc R . .
C11 C 0.5222(2) 0.30534(17) 0.69003(12) 0.0303(6) Uani 1 1 d . . .
H11 H 0.5400 0.2498 0.6796 0.036 Uiso 1 1 calc R . .
C12 C 0.4151(2) 0.32351(15) 0.69961(11) 0.0230(5) Uani 1 1 d . . .
H12 H 0.3595 0.2806 0.6953 0.028 Uiso 1 1 calc R . .
C13 C 0.17087(18) 0.33440(13) 0.71761(9) 0.0167(4) Uani 1 1 d . . .
C14 C 0.1742(2) 0.27988(15) 0.76296(10) 0.0209(4) Uani 1 1 d . . .
H14 H 0.2126 0.2962 0.7983 0.025 Uiso 1 1 calc R . .
C15 C 0.1209(2) 0.20189(15) 0.75570(11) 0.0236(5) Uani 1 1 d . . .
H15 H 0.1226 0.1649 0.7862 0.028 Uiso 1 1 calc R . .
C16 C 0.0653(2) 0.17796(15) 0.70404(11) 0.0254(5) Uani 1 1 d . . .
H16 H 0.0293 0.1245 0.6993 0.030 Uiso 1 1 calc R . .
C17 C 0.0621(2) 0.23135(16) 0.65945(11) 0.0275(5) Uani 1 1 d . . .
H17 H 0.0242 0.2143 0.6241 0.033 Uiso 1 1 calc R . .
C18 C 0.1143(2) 0.31035(16) 0.66599(10) 0.0249(5) Uani 1 1 d . . .
H18 H 0.1112 0.3473 0.6354 0.030 Uiso 1 1 calc R . .
C19 C -0.00127(18) 0.66158(13) 0.61378(9) 0.0156(4) Uani 1 1 d . . .
C20 C -0.04982(19) 0.72412(14) 0.57765(9) 0.0186(4) Uani 1 1 d . . .
C21 C 0.0162(2) 0.77694(14) 0.55154(9) 0.0190(4) Uani 1 1 d . . .
C22 C 0.13081(19) 0.76793(14) 0.56322(9) 0.0171(4) Uani 1 1 d . . .
C23 C 0.17880(18) 0.70428(13) 0.59822(9) 0.0143(4) Uani 1 1 d . . .
C24 C 0.11564(18) 0.64909(13) 0.62321(8) 0.0144(4) Uani 1 1 d . . .
C25 C -0.20664(18) 0.64180(14) 0.66129(10) 0.0184(4) Uani 1 1 d . . .
C26 C -0.2007(2) 0.71246(17) 0.69571(11) 0.0291(6) Uani 1 1 d . . .
H26 H -0.1304 0.7313 0.7149 0.035 Uiso 1 1 calc R . .
C27 C -0.2976(2) 0.75504(18) 0.70172(12) 0.0339(6) Uani 1 1 d . . .
H27 H -0.2936 0.8038 0.7245 0.041 Uiso 1 1 calc R . .
C28 C -0.3997(2) 0.72668(17) 0.67469(12) 0.0319(6) Uani 1 1 d . . .
H28 H -0.4660 0.7557 0.6793 0.038 Uiso 1 1 calc R . .
C29 C -0.4063(2) 0.65623(19) 0.64093(15) 0.0388(7) Uani 1 1 d . . .
H29 H -0.4770 0.6370 0.6225 0.047 Uiso 1 1 calc R . .
C30 C -0.3093(2) 0.61348(17) 0.63401(12) 0.0294(6) Uani 1 1 d . . .
H30 H -0.3135 0.5652 0.6107 0.035 Uiso 1 1 calc R . .
C31 C -0.11032(17) 0.49722(14) 0.61179(9) 0.0151(4) Uani 1 1 d . . .
C32 C -0.1355(2) 0.42394(15) 0.63851(10) 0.0204(4) Uani 1 1 d . . .
H32 H -0.1348 0.4242 0.6772 0.024 Uiso 1 1 calc R . .
C33 C -0.1617(2) 0.35021(15) 0.60810(10) 0.0229(5) Uani 1 1 d . . .
H33 H -0.1804 0.3002 0.6258 0.027 Uiso 1 1 calc R . .
C34 C -0.1605(2) 0.34990(15) 0.55193(10) 0.0228(5) Uani 1 1 d . . .
H34 H -0.1780 0.2994 0.5313 0.027 Uiso 1 1 calc R . .
C35 C -0.1339(2) 0.42250(15) 0.52563(10) 0.0234(5) Uani 1 1 d . . .
H35 H -0.1327 0.4215 0.4871 0.028 Uiso 1 1 calc R . .
C36 C -0.1088(2) 0.49717(15) 0.55531(9) 0.0197(4) Uani 1 1 d . . .
H36 H -0.0909 0.5472 0.5373 0.024 Uiso 1 1 calc R . .
C37 C 0.2696(2) 0.45739(15) 0.58332(9) 0.0190(4) Uani 1 1 d . . .
C38 C 0.3599(2) 0.41511(16) 0.55835(10) 0.0233(5) Uani 1 1 d . . .
C39 C 0.3363(3) 0.3384(2) 0.53193(14) 0.0455(8) Uani 1 1 d . . .
H39 H 0.2636 0.3146 0.5285 0.055 Uiso 1 1 calc R . .
C40 C 0.4201(3) 0.2962(3) 0.51023(16) 0.0644(12) Uani 1 1 d . . .
H40 H 0.4043 0.2434 0.4922 0.077 Uiso 1 1 calc R . .
C41 C 0.5250(3) 0.3305(2) 0.51483(13) 0.0488(9) Uani 1 1 d . . .
H41 H 0.5813 0.3018 0.4995 0.059 Uiso 1 1 calc R . .
C42 C 0.5487(3) 0.4059(2) 0.54138(13) 0.0387(7) Uani 1 1 d . . .
H42 H 0.6215 0.4295 0.5448 0.046 Uiso 1 1 calc R . .
C43 C 0.4656(2) 0.44834(18) 0.56355(12) 0.0318(6) Uani 1 1 d . . .
H43 H 0.4824 0.5005 0.5823 0.038 Uiso 1 1 calc R . .
C44 C -0.12689(18) 0.52966(15) 0.79431(9) 0.0178(4) Uani 1 1 d . . .
C45 C -0.19548(19) 0.54070(15) 0.83958(9) 0.0188(4) Uani 1 1 d . . .
C46 C -0.1795(2) 0.60963(15) 0.87523(10) 0.0239(5) Uani 1 1 d . . .
H46 H -0.1258 0.6516 0.8708 0.029 Uiso 1 1 calc R . .
C47 C -0.2418(2) 0.61705(18) 0.91722(11) 0.0306(6) Uani 1 1 d . . .
H47 H -0.2306 0.6643 0.9414 0.037 Uiso 1 1 calc R . .
C48 C -0.3202(2) 0.55629(18) 0.92418(12) 0.0311(6) Uani 1 1 d . . .
H48 H -0.3630 0.5618 0.9529 0.037 Uiso 1 1 calc R . .
C49 C -0.3358(2) 0.4872(2) 0.88890(12) 0.0333(6) Uani 1 1 d . . .
H49 H -0.3894 0.4452 0.8935 0.040 Uiso 1 1 calc R . .
C50 C -0.2733(2) 0.47912(18) 0.84680(11) 0.0287(6) Uani 1 1 d . . .
H50 H -0.2839 0.4315 0.8230 0.034 Uiso 1 1 calc R . .
C51 C -0.0507(2) 0.60783(18) 1.10305(12) 0.0332(6) Uani 1 1 d . . .
H51A H 0.0270 0.6080 1.1223 0.050 Uiso 1 1 calc R . .
H51B H -0.1010 0.6014 1.1300 0.050 Uiso 1 1 calc R . .
H51C H -0.0669 0.6612 1.0831 0.050 Uiso 1 1 calc R . .
C52 C -0.0680(2) 0.53486(18) 1.06259(12) 0.0292(6) Uani 1 1 d . . .
H52A H -0.1467 0.5351 1.0435 0.035 Uiso 1 1 calc R . .
H52B H -0.0550 0.4811 1.0833 0.035 Uiso 1 1 calc R . .
C53 C 0.0085(2) 0.53789(16) 1.01959(11) 0.0263(5) Uani 1 1 d . . .
H53A H 0.0872 0.5392 1.0386 0.032 Uiso 1 1 calc R . .
H53B H -0.0061 0.5906 0.9979 0.032 Uiso 1 1 calc R . .
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
_geom_angle_publ_flag
C24 Au1 O1 94.46(7) . . ?
C24 Au1 P1 173.81(6) . . ?
O1 Au1 P1 91.48(5) . . ?
C24 Au1 Au2 89.20(6) . . ?
O1 Au1 Au2 175.93(4) . . ?
P1 Au1 Au2 84.815(14) . . ?
C6 Au2 O3 90.93(8) . . ?
C6 Au2 P2 171.00(6) . . ?
O3 Au2 P2 98.05(5) . . ?
C6 Au2 Au1 88.61(6) . . ?
O3 Au2 Au1 178.31(5) . . ?
P2 Au2 Au1 82.433(14) . . ?
C7 P1 C13 106.15(10) . . ?
C7 P1 C1 108.26(10) . . ?
C13 P1 C1 110.21(10) . . ?
C7 P1 Au1 110.33(7) . . ?
C13 P1 Au1 118.21(7) . . ?
C1 P1 Au1 103.40(7) . . ?
C25 P2 C31 108.15(10) . . ?
C25 P2 C19 108.99(10) . . ?
C31 P2 C19 106.87(10) . . ?
C25 P2 Au2 115.79(8) . . ?
C31 P2 Au2 113.25(7) . . ?
C19 P2 Au2 103.28(7) . . ?
C37 O1 Au1 109.76(14) . . ?
C44 O3 Au2 114.19(14) . . ?
C2 C1 C6 120.3(2) . . ?
C2 C1 P1 123.86(17) . . ?
C6 C1 P1 115.52(16) . . ?
F1 C2 C1 121.4(2) . . ?
F1 C2 C3 117.7(2) . . ?
C1 C2 C3 120.8(2) . . ?
F2 C3 C4 120.0(2) . . ?
F2 C3 C2 120.8(2) . . ?
C4 C3 C2 119.2(2) . . ?
F3 C4 C3 119.7(2) . . ?
F3 C4 C5 120.2(2) . . ?
C3 C4 C5 120.1(2) . . ?
F4 C5 C6 122.2(2) . . ?
F4 C5 C4 115.7(2) . . ?
C6 C5 C4 122.1(2) . . ?
C5 C6 C1 117.4(2) . . ?
C5 C6 Au2 121.95(16) . . ?
C1 C6 Au2 120.63(16) . . ?
C12 C7 C8 119.6(2) . . ?
C12 C7 P1 121.22(18) . . ?
C8 C7 P1 119.02(17) . . ?
C9 C8 C7 120.3(2) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 119.9(2) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
C11 C10 C9 120.2(2) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.1(2) . . ?
C10 C11 H11 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 C11 120.0(2) . . ?
C7 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C18 C13 C14 120.0(2) . . ?
C18 C13 P1 119.31(17) . . ?
C14 C13 P1 120.42(18) . . ?
C15 C14 C13 119.5(2) . . ?
C15 C14 H14 120.2 . . ?
C13 C14 H14 120.2 . . ?
C16 C15 C14 120.2(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 120.4(2) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 120.3(2) . . ?
C16 C17 H17 119.8 . . ?
C18 C17 H17 119.8 . . ?
C13 C18 C17 119.5(2) . . ?
C13 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C24 120.5(2) . . ?
C20 C19 P2 124.97(17) . . ?
C24 C19 P2 114.50(16) . . ?
F5 C20 C21 117.4(2) . . ?
F5 C20 C19 122.0(2) . . ?
C21 C20 C19 120.5(2) . . ?
F6 C21 C22 120.5(2) . . ?
F6 C21 C20 120.6(2) . . ?
C22 C21 C20 118.9(2) . . ?
F7 C22 C21 119.04(19) . . ?
F7 C22 C23 120.6(2) . . ?
C21 C22 C23 120.4(2) . . ?
F8 C23 C24 121.60(19) . . ?
F8 C23 C22 116.28(19) . . ?
C24 C23 C22 122.1(2) . . ?
C23 C24 C19 117.37(19) . . ?
C23 C24 Au1 122.73(16) . . ?
C19 C24 Au1 119.66(15) . . ?
C30 C25 C26 120.1(2) . . ?
C30 C25 P2 122.14(19) . . ?
C26 C25 P2 117.73(18) . . ?
C27 C26 C25 119.8(3) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C28 C27 C26 120.0(3) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 120.4(2) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C28 C29 C30 120.1(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 119.5(3) . . ?
C25 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C32 C31 C36 120.8(2) . . ?
C32 C31 P2 117.96(17) . . ?
C36 C31 P2 121.19(17) . . ?
C31 C32 C33 119.4(2) . . ?
C31 C32 H32 120.3 . . ?
C33 C32 H32 120.3 . . ?
C34 C33 C32 119.9(2) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C35 C34 C33 120.5(2) . . ?
C35 C34 H34 119.7 . . ?
C33 C34 H34 119.7 . . ?
C34 C35 C36 120.3(2) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C31 C36 C35 119.0(2) . . ?
C31 C36 H36 120.5 . . ?
C35 C36 H36 120.5 . . ?
O2 C37 O1 123.5(2) . . ?
O2 C37 C38 121.0(2) . . ?
O1 C37 C38 115.4(2) . . ?
C43 C38 C39 119.7(2) . . ?
C43 C38 C37 121.9(2) . . ?
C39 C38 C37 118.4(3) . . ?
C38 C39 C40 119.6(3) . . ?
C38 C39 H39 120.2 . . ?
C40 C39 H39 120.2 . . ?
C41 C40 C39 120.4(3) . . ?
C41 C40 H40 119.8 . . ?
C39 C40 H40 119.8 . . ?
C42 C41 C40 120.1(3) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C43 119.9(3) . . ?
C41 C42 H42 120.0 . . ?
C43 C42 H42 120.0 . . ?
C38 C43 C42 120.4(3) . . ?
C38 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
O4 C44 O3 124.9(2) . . ?
O4 C44 C45 120.6(2) . . ?
O3 C44 C45 114.5(2) . . ?
C50 C45 C46 119.5(2) . . ?
C50 C45 C44 119.1(2) . . ?
C46 C45 C44 121.4(2) . . ?
C47 C46 C45 120.1(2) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C48 C47 C46 120.6(3) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C47 C48 C49 119.5(2) . . ?
C47 C48 H48 120.3 . . ?
C49 C48 H48 120.3 . . ?
C48 C49 C50 120.3(3) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C45 C50 C49 120.0(2) . . ?
C45 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C52 C51 H51A 109.5 . . ?
C52 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C52 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C51 C52 C53 113.6(2) . . ?
C51 C52 H52A 108.8 . . ?
C53 C52 H52A 108.8 . . ?
C51 C52 H52B 108.8 . . ?
C53 C52 H52B 108.8 . . ?
H52A C52 H52B 107.7 . . ?
C52 C53 C53 112.4(3) . 3_567 ?
C52 C53 H53A 109.1 . . ?
C53 C53 H53A 109.1 3_567 . ?
C52 C53 H53B 109.1 . . ?
C53 C53 H53B 109.1 3_567 . ?
H53A C53 H53B 107.9 . . ?
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 C24 2.063(2) . ?
Au1 O1 2.1116(15) . ?
Au1 P1 2.3356(6) . ?
Au1 Au2 2.52120(11) . ?
Au2 C6 2.075(2) . ?
Au2 O3 2.1002(15) . ?
Au2 P2 2.3380(6) . ?
P1 C7 1.804(2) . ?
P1 C13 1.804(2) . ?
P1 C1 1.814(2) . ?
P2 C25 1.804(2) . ?
P2 C31 1.811(2) . ?
P2 C19 1.816(2) . ?
F1 C2 1.349(3) . ?
F2 C3 1.338(3) . ?
F3 C4 1.336(3) . ?
F4 C5 1.344(3) . ?
F5 C20 1.337(3) . ?
F6 C21 1.335(2) . ?
F7 C22 1.348(2) . ?
F8 C23 1.354(2) . ?
O1 C37 1.300(3) . ?
O2 C37 1.236(3) . ?
O3 C44 1.289(3) . ?
O4 C44 1.236(3) . ?
C1 C2 1.384(3) . ?
C1 C6 1.414(3) . ?
C2 C3 1.388(3) . ?
C3 C4 1.371(3) . ?
C4 C5 1.393(3) . ?
C5 C6 1.375(3) . ?
C7 C12 1.383(3) . ?
C7 C8 1.398(3) . ?
C8 C9 1.373(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.378(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.390(3) . ?
C13 C14 1.406(3) . ?
C14 C15 1.390(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.386(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.380(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.398(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.392(3) . ?
C19 C24 1.412(3) . ?
C20 C21 1.389(3) . ?
C21 C22 1.379(3) . ?
C22 C23 1.387(3) . ?
C23 C24 1.375(3) . ?
C25 C30 1.385(3) . ?
C25 C26 1.396(3) . ?
C26 C27 1.385(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.377(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.384(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.393(4) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.392(3) . ?
C31 C36 1.393(3) . ?
C32 C33 1.393(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.385(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.383(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.504(3) . ?
C38 C43 1.372(4) . ?
C38 C39 1.382(4) . ?
C39 C40 1.397(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.371(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.366(5) . ?
C41 H41 0.9500 . ?
C42 C43 1.398(4) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.511(3) . ?
C45 C50 1.390(3) . ?
C45 C46 1.392(3) . ?
C46 C47 1.387(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.384(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.388(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.391(4) . ?
C49 H49 0.9500 . ?
C50 H50 0.9500 . ?
C51 C52 1.515(4) . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C53 1.524(4) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C53 1.530(5) 3_567 ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C24 Au1 Au2 C6 -137.76(8) . . . . ?
P1 Au1 Au2 C6 40.67(6) . . . . ?
C24 Au1 Au2 P2 43.13(6) . . . . ?
P1 Au1 Au2 P2 -138.44(2) . . . . ?
O1 Au1 P1 C7 20.10(9) . . . . ?
Au2 Au1 P1 C7 -158.23(8) . . . . ?
O1 Au1 P1 C13 -102.27(10) . . . . ?
Au2 Au1 P1 C13 79.40(9) . . . . ?
O1 Au1 P1 C1 135.68(9) . . . . ?
Au2 Au1 P1 C1 -42.65(7) . . . . ?
O3 Au2 P2 C25 13.09(10) . . . . ?
Au1 Au2 P2 C25 -165.27(9) . . . . ?
O3 Au2 P2 C31 -112.66(9) . . . . ?
Au1 Au2 P2 C31 68.98(8) . . . . ?
O3 Au2 P2 C19 132.13(8) . . . . ?
Au1 Au2 P2 C19 -46.24(7) . . . . ?
C24 Au1 O1 C37 -103.75(15) . . . . ?
P1 Au1 O1 C37 77.99(14) . . . . ?
C6 Au2 O3 C44 -103.26(16) . . . . ?
P2 Au2 O3 C44 76.11(16) . . . . ?
C7 P1 C1 C2 -30.1(2) . . . . ?
C13 P1 C1 C2 85.6(2) . . . . ?
Au1 P1 C1 C2 -147.10(18) . . . . ?
C7 P1 C1 C6 143.91(17) . . . . ?
C13 P1 C1 C6 -100.39(18) . . . . ?
Au1 P1 C1 C6 26.88(17) . . . . ?
C6 C1 C2 F1 177.1(2) . . . . ?
P1 C1 C2 F1 -9.2(3) . . . . ?
C6 C1 C2 C3 -3.2(3) . . . . ?
P1 C1 C2 C3 170.52(18) . . . . ?
F1 C2 C3 F2 0.1(3) . . . . ?
C1 C2 C3 F2 -179.6(2) . . . . ?
F1 C2 C3 C4 179.9(2) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
F2 C3 C4 F3 0.9(3) . . . . ?
C2 C3 C4 F3 -178.9(2) . . . . ?
F2 C3 C4 C5 -178.4(2) . . . . ?
C2 C3 C4 C5 1.8(4) . . . . ?
F3 C4 C5 F4 0.4(3) . . . . ?
C3 C4 C5 F4 179.6(2) . . . . ?
F3 C4 C5 C6 179.8(2) . . . . ?
C3 C4 C5 C6 -0.9(4) . . . . ?
F4 C5 C6 C1 177.40(19) . . . . ?
C4 C5 C6 C1 -2.0(3) . . . . ?
F4 C5 C6 Au2 -5.7(3) . . . . ?
C4 C5 C6 Au2 174.90(17) . . . . ?
C2 C1 C6 C5 4.0(3) . . . . ?
P1 C1 C6 C5 -170.19(17) . . . . ?
C2 C1 C6 Au2 -172.94(17) . . . . ?
P1 C1 C6 Au2 12.9(2) . . . . ?
O3 Au2 C6 C5 -36.64(18) . . . . ?
Au1 Au2 C6 C5 141.74(18) . . . . ?
O3 Au2 C6 C1 140.18(17) . . . . ?
Au1 Au2 C6 C1 -41.45(17) . . . . ?
C13 P1 C7 C12 7.2(2) . . . . ?
C1 P1 C7 C12 125.5(2) . . . . ?
Au1 P1 C7 C12 -122.04(19) . . . . ?
C13 P1 C7 C8 -177.49(19) . . . . ?
C1 P1 C7 C8 -59.2(2) . . . . ?
Au1 P1 C7 C8 53.3(2) . . . . ?
C12 C7 C8 C9 -1.8(4) . . . . ?
P1 C7 C8 C9 -177.2(2) . . . . ?
C7 C8 C9 C10 2.3(4) . . . . ?
C8 C9 C10 C11 -2.0(4) . . . . ?
C9 C10 C11 C12 1.3(4) . . . . ?
C8 C7 C12 C11 1.1(4) . . . . ?
P1 C7 C12 C11 176.4(2) . . . . ?
C10 C11 C12 C7 -0.9(4) . . . . ?
C7 P1 C13 C18 -90.9(2) . . . . ?
C1 P1 C13 C18 152.07(19) . . . . ?
Au1 P1 C13 C18 33.5(2) . . . . ?
C7 P1 C13 C14 83.7(2) . . . . ?
C1 P1 C13 C14 -33.3(2) . . . . ?
Au1 P1 C13 C14 -151.86(16) . . . . ?
C18 C13 C14 C15 0.2(4) . . . . ?
P1 C13 C14 C15 -174.36(19) . . . . ?
C13 C14 C15 C16 0.3(4) . . . . ?
C14 C15 C16 C17 -0.2(4) . . . . ?
C15 C16 C17 C18 -0.3(4) . . . . ?
C14 C13 C18 C17 -0.7(4) . . . . ?
P1 C13 C18 C17 173.9(2) . . . . ?
C16 C17 C18 C13 0.8(4) . . . . ?
C25 P2 C19 C20 -24.2(2) . . . . ?
C31 P2 C19 C20 92.5(2) . . . . ?
Au2 P2 C19 C20 -147.82(18) . . . . ?
C25 P2 C19 C24 154.85(16) . . . . ?
C31 P2 C19 C24 -88.49(17) . . . . ?
Au2 P2 C19 C24 31.21(17) . . . . ?
C24 C19 C20 F5 178.3(2) . . . . ?
P2 C19 C20 F5 -2.7(3) . . . . ?
C24 C19 C20 C21 -1.9(3) . . . . ?
P2 C19 C20 C21 177.04(17) . . . . ?
F5 C20 C21 F6 -2.1(3) . . . . ?
C19 C20 C21 F6 178.2(2) . . . . ?
F5 C20 C21 C22 177.9(2) . . . . ?
C19 C20 C21 C22 -1.8(3) . . . . ?
F6 C21 C22 F7 1.9(3) . . . . ?
C20 C21 C22 F7 -178.1(2) . . . . ?
F6 C21 C22 C23 -176.6(2) . . . . ?
C20 C21 C22 C23 3.3(3) . . . . ?
F7 C22 C23 F8 0.8(3) . . . . ?
C21 C22 C23 F8 179.29(19) . . . . ?
F7 C22 C23 C24 -179.63(19) . . . . ?
C21 C22 C23 C24 -1.1(3) . . . . ?
F8 C23 C24 C19 176.99(18) . . . . ?
C22 C23 C24 C19 -2.6(3) . . . . ?
F8 C23 C24 Au1 -8.7(3) . . . . ?
C22 C23 C24 Au1 171.75(16) . . . . ?
C20 C19 C24 C23 4.1(3) . . . . ?
P2 C19 C24 C23 -175.01(16) . . . . ?
C20 C19 C24 Au1 -170.43(16) . . . . ?
P2 C19 C24 Au1 10.5(2) . . . . ?
O1 Au1 C24 C23 -34.70(18) . . . . ?
Au2 Au1 C24 C23 143.52(17) . . . . ?
O1 Au1 C24 C19 139.49(16) . . . . ?
Au2 Au1 C24 C19 -42.29(16) . . . . ?
C31 P2 C25 C30 -6.7(2) . . . . ?
C19 P2 C25 C30 109.1(2) . . . . ?
Au2 P2 C25 C30 -135.0(2) . . . . ?
C31 P2 C25 C26 174.8(2) . . . . ?
C19 P2 C25 C26 -69.4(2) . . . . ?
Au2 P2 C25 C26 46.5(2) . . . . ?
C30 C25 C26 C27 -1.1(4) . . . . ?
P2 C25 C26 C27 177.4(2) . . . . ?
C25 C26 C27 C28 1.3(4) . . . . ?
C26 C27 C28 C29 -0.7(5) . . . . ?
C27 C28 C29 C30 -0.1(5) . . . . ?
C26 C25 C30 C29 0.3(4) . . . . ?
P2 C25 C30 C29 -178.2(2) . . . . ?
C28 C29 C30 C25 0.3(5) . . . . ?
C25 P2 C31 C32 -83.1(2) . . . . ?
C19 P2 C31 C32 159.74(18) . . . . ?
Au2 P2 C31 C32 46.7(2) . . . . ?
C25 P2 C31 C36 98.1(2) . . . . ?
C19 P2 C31 C36 -19.1(2) . . . . ?
Au2 P2 C31 C36 -132.16(17) . . . . ?
C36 C31 C32 C33 -1.3(4) . . . . ?
P2 C31 C32 C33 179.81(19) . . . . ?
C31 C32 C33 C34 1.2(4) . . . . ?
C32 C33 C34 C35 -0.3(4) . . . . ?
C33 C34 C35 C36 -0.5(4) . . . . ?
C32 C31 C36 C35 0.5(3) . . . . ?
P2 C31 C36 C35 179.34(18) . . . . ?
C34 C35 C36 C31 0.4(4) . . . . ?
Au1 O1 C37 O2 17.6(3) . . . . ?
Au1 O1 C37 C38 -160.47(16) . . . . ?
O2 C37 C38 C43 173.7(2) . . . . ?
O1 C37 C38 C43 -8.1(3) . . . . ?
O2 C37 C38 C39 -9.6(4) . . . . ?
O1 C37 C38 C39 168.5(2) . . . . ?
C43 C38 C39 C40 -0.8(5) . . . . ?
C37 C38 C39 C40 -177.5(3) . . . . ?
C38 C39 C40 C41 -0.3(6) . . . . ?
C39 C40 C41 C42 0.9(6) . . . . ?
C40 C41 C42 C43 -0.4(5) . . . . ?
C39 C38 C43 C42 1.2(4) . . . . ?
C37 C38 C43 C42 177.9(3) . . . . ?
C41 C42 C43 C38 -0.6(5) . . . . ?
Au2 O3 C44 O4 -6.0(3) . . . . ?
Au2 O3 C44 C45 173.00(14) . . . . ?
O4 C44 C45 C50 -1.7(4) . . . . ?
O3 C44 C45 C50 179.3(2) . . . . ?
O4 C44 C45 C46 176.0(2) . . . . ?
O3 C44 C45 C46 -3.0(3) . . . . ?
C50 C45 C46 C47 -0.7(4) . . . . ?
C44 C45 C46 C47 -178.4(2) . . . . ?
C45 C46 C47 C48 0.0(4) . . . . ?
C46 C47 C48 C49 0.4(5) . . . . ?
C47 C48 C49 C50 -0.1(5) . . . . ?
C46 C45 C50 C49 0.9(4) . . . . ?
C44 C45 C50 C49 178.7(2) . . . . ?
C48 C49 C50 C45 -0.5(5) . . . . ?
C51 C52 C53 C53 178.3(3) . . . 3_567 ?
