#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/72/4077220.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_4077220
loop_
_publ_author_name
'Bennett, Martin A.'
'Hockless, David C. R.'
'Rae, A. David'
'Welling, Lee L.'
'Willis, Anthony C.'
_publ_section_title
;
 Carbon−Carbon Coupling in Dinuclear Cycloaurated Complexes
 Containing Bridging 2-(Diphenylphosphino)phenyl or
 2-(Diethylphosphino)phenyl. Role of the Axial Ligand and the Fine Balance
 between Gold(II)−Gold(II) and Gold(I)−Gold(III)
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              79
_journal_paper_doi               10.1021/om000773w
_journal_volume                  20
_journal_year                    2001
_chemical_formula_moiety         'C48 H28 Au2 F10 P2 '
_chemical_formula_sum            'C48 H28 Au2 F10 P2'
_chemical_formula_weight         1250.61
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             2000-10-05
_audit_creation_method           'by teXsan v1.8'
_audit_update_record
;
1998 - Report on C48 H28 Au2 F10 P2
             by David C. R. Hockless
             for Lee L. Welling and Martin A. Bennett
2000-10-05 - passes checkcif tests with minor warnings
              ** data weak

;
_cell_angle_alpha                90
_cell_angle_beta                 90.76(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.588(6)
_cell_length_b                   12.275(5)
_cell_length_c                   21.166(4)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      8.0
_cell_measurement_theta_min      5.9
_cell_volume                     4309(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.00657
_diffrn_orient_matrix_UB_12      -0.01347
_diffrn_orient_matrix_UB_13      -0.04624
_diffrn_orient_matrix_UB_21      -0.05291
_diffrn_orient_matrix_UB_22      0.03641
_diffrn_orient_matrix_UB_23      -0.00872
_diffrn_orient_matrix_UB_31      0.02814
_diffrn_orient_matrix_UB_32      0.07162
_diffrn_orient_matrix_UB_33      -0.00426
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.04681
_diffrn_reflns_av_sigmaI/netI    0.120
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8332
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        -2.74
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.977
_exptl_absorpt_correction_T_max  0.497
_exptl_absorpt_correction_T_min  0.386
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
ψ scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2376.00
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.67
_refine_diff_density_min         -1.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.291
_refine_ls_goodness_of_fit_ref   1.485
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     559
_refine_ls_number_reflns         3500
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1583
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00000|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0329
_refine_ls_wR_factor_ref         0.0244
_reflns_number_gt                3500
_reflns_number_total             7650
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            om000773w.cif
_cod_data_source_block           LLW9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c     '
_cod_original_formula_sum        'C48 H28 Au2 F10 P2 '
_cod_database_code               4077220
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,1/2+y,1/2-z'
'   -x,   -y,   -z'
'   +x,1/2-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_calc_flag
Au(1) 0.29681(3) 0.28532(4) 0.21565(2) 0.0554(2) 1.000 Uani d
Au(2) 0.26323(3) 0.06106(4) 0.27374(2) 0.0570(2) 1.000 Uani d
P(1) 0.1710(2) 0.3405(3) 0.2434(2) 0.047(1) 1.000 Uani d
P(2) 0.3166(2) 0.1275(3) 0.3661(2) 0.051(1) 1.000 Uani d
F(1) 0.4780(4) 0.3452(6) 0.2597(4) 0.086(3) 1.000 Uani d
F(2) 0.6181(5) 0.3299(7) 0.2008(4) 0.108(4) 1.000 Uani d
F(3) 0.6256(5) 0.2409(7) 0.0844(4) 0.118(4) 1.000 Uani d
F(4) 0.4905(5) 0.1613(7) 0.0276(4) 0.115(4) 1.000 Uani d
F(5) 0.3495(5) 0.1763(6) 0.0863(3) 0.085(3) 1.000 Uani d
F(6) 0.3590(5) -0.0516(8) 0.1618(4) 0.103(3) 1.000 Uani d
F(7) 0.3100(6) -0.1438(8) 0.0537(4) 0.140(4) 1.000 Uani d
F(8) 0.1501(6) -0.1501(8) 0.0214(4) 0.140(4) 1.000 Uani d
F(9) 0.0403(5) -0.0691(8) 0.1007(4) 0.120(4) 1.000 Uani d
F(10) 0.0892(5) 0.0143(7) 0.2136(4) 0.093(3) 1.000 Uani d
C(1) 0.1190(7) 0.272(1) 0.3076(5) 0.047(4) 1.000 Uani d
C(2) 0.0429(8) 0.226(1) 0.2973(5) 0.059(5) 1.000 Uani d
C(3) 0.0020(8) 0.176(1) 0.3445(7) 0.066(5) 1.000 Uani d
C(4) 0.0350(8) 0.167(1) 0.4038(6) 0.063(5) 1.000 Uani d
C(5) 0.1103(8) 0.213(1) 0.4151(5) 0.062(5) 1.000 Uani d
C(6) 0.1527(7) 0.265(1) 0.3683(5) 0.046(4) 1.000 Uani d
C(7) 0.2292(9) 0.322(1) 0.3848(5) 0.055(5) 1.000 Uani d
C(8) 0.2253(8) 0.427(1) 0.4062(6) 0.066(5) 1.000 Uani d
C(9) 0.293(1) 0.489(1) 0.4187(7) 0.090(7) 1.000 Uani d
C(10) 0.369(1) 0.445(1) 0.4123(7) 0.087(6) 1.000 Uani d
C(11) 0.3764(8) 0.336(1) 0.3951(7) 0.073(6) 1.000 Uani d
C(12) 0.3067(8) 0.274(1) 0.3820(5) 0.048(4) 1.000 Uani d
C(13) 0.1702(7) 0.485(1) 0.2608(5) 0.044(4) 1.000 Uani d
C(14) 0.1092(7) 0.532(1) 0.2967(6) 0.060(5) 1.000 Uani d
C(15) 0.1116(9) 0.642(1) 0.3082(7) 0.073(6) 1.000 Uani d
C(16) 0.171(1) 0.708(1) 0.2848(8) 0.089(7) 1.000 Uani d
C(17) 0.228(1) 0.660(1) 0.2482(7) 0.086(7) 1.000 Uani d
C(18) 0.2291(7) 0.551(1) 0.2347(6) 0.062(5) 1.000 Uani d
C(19) 0.1040(8) 0.325(1) 0.1746(5) 0.053(5) 1.000 Uani d
C(20) 0.0364(8) 0.388(1) 0.1647(6) 0.058(5) 1.000 Uani d
C(21) -0.0128(8) 0.372(1) 0.1125(7) 0.074(6) 1.000 Uani d
C(22) 0.003(1) 0.291(2) 0.0699(7) 0.088(7) 1.000 Uani d
C(23) 0.070(1) 0.228(1) 0.0790(7) 0.080(6) 1.000 Uani d
C(24) 0.1200(8) 0.245(1) 0.1312(6) 0.066(5) 1.000 Uani d
C(25) 0.2765(7) 0.061(1) 0.4352(6) 0.052(5) 1.000 Uani d
C(26) 0.2740(9) 0.112(1) 0.4946(8) 0.071(5) 1.000 Uani d
C(27) 0.244(1) 0.058(2) 0.5454(7) 0.094(7) 1.000 Uani d
C(28) 0.214(1) -0.044(2) 0.5391(8) 0.091(7) 1.000 Uani d
C(29) 0.2169(9) -0.097(1) 0.4817(8) 0.094(7) 1.000 Uani d
C(30) 0.2462(8) -0.042(1) 0.4309(6) 0.067(5) 1.000 Uani d
C(31) 0.4240(7) 0.100(1) 0.3691(6) 0.051(4) 1.000 Uani d
C(32) 0.4679(9) 0.099(1) 0.4259(6) 0.081(6) 1.000 Uani d
C(33) 0.5496(9) 0.089(1) 0.4277(7) 0.095(7) 1.000 Uani d
C(34) 0.5884(9) 0.077(1) 0.3726(8) 0.098(7) 1.000 Uani d
C(35) 0.5492(9) 0.078(1) 0.3158(7) 0.084(6) 1.000 Uani d
C(36) 0.4659(8) 0.088(1) 0.3143(6) 0.060(5) 1.000 Uani d
C(37) 0.4059(8) 0.260(1) 0.1770(7) 0.061(5) 1.000 Uani d
C(38) 0.476(1) 0.298(1) 0.2014(7) 0.067(6) 1.000 Uani d
C(39) 0.5505(9) 0.292(1) 0.1729(9) 0.081(6) 1.000 Uani d
C(40) 0.553(1) 0.247(1) 0.1137(9) 0.078(7) 1.000 Uani d
C(41) 0.485(1) 0.204(1) 0.0854(7) 0.073(6) 1.000 Uani d
C(42) 0.4142(9) 0.215(1) 0.1176(7) 0.068(6) 1.000 Uani d
C(43) 0.2262(9) -0.015(1) 0.1928(6) 0.066(5) 1.000 Uani d
C(44) 0.279(1) -0.056(1) 0.1492(7) 0.076(6) 1.000 Uani d
C(45) 0.255(1) -0.104(1) 0.0922(7) 0.085(6) 1.000 Uani d
C(46) 0.174(1) -0.109(1) 0.0777(8) 0.096(7) 1.000 Uani d
C(47) 0.120(1) -0.067(1) 0.1166(8) 0.078(6) 1.000 Uani d
C(48) 0.1432(9) -0.022(1) 0.1761(7) 0.069(6) 1.000 Uani d
H(2) 0.0190 0.2303 0.2564 0.071 1.000 Uiso c
H(3) -0.0502 0.1476 0.3361 0.079 1.000 Uiso c
H(4) 0.0073 0.1295 0.4363 0.076 1.000 Uiso c
H(5) 0.1332 0.2089 0.4564 0.074 1.000 Uiso c
H(8) 0.1738 0.4591 0.4127 0.079 1.000 Uiso c
H(9) 0.2874 0.5621 0.4318 0.108 1.000 Uiso c
H(10) 0.4155 0.4887 0.4196 0.105 1.000 Uiso c
H(11) 0.4282 0.3034 0.3922 0.088 1.000 Uiso c
H(14) 0.0667 0.4887 0.3129 0.072 1.000 Uiso c
H(15) 0.0707 0.6738 0.3333 0.088 1.000 Uiso c
H(16) 0.1716 0.7834 0.2937 0.106 1.000 Uiso c
H(17) 0.2696 0.7051 0.2315 0.104 1.000 Uiso c
H(18) 0.2690 0.5211 0.2080 0.074 1.000 Uiso c
H(20) 0.0234 0.4428 0.1944 0.070 1.000 Uiso c
H(21) -0.0579 0.4188 0.1059 0.089 1.000 Uiso c
H(22) -0.0326 0.2782 0.0349 0.105 1.000 Uiso c
H(23) 0.0827 0.1730 0.0494 0.096 1.000 Uiso c
H(24) 0.1663 0.2002 0.1370 0.079 1.000 Uiso c
H(26) 0.2935 0.1844 0.4995 0.085 1.000 Uiso c
H(27) 0.2432 0.0923 0.5856 0.113 1.000 Uiso c
H(28) 0.1919 -0.0798 0.5746 0.109 1.000 Uiso c
H(29) 0.1985 -0.1700 0.4776 0.113 1.000 Uiso c
H(30) 0.2455 -0.0773 0.3909 0.081 1.000 Uiso c
H(32) 0.4397 0.1055 0.4645 0.097 1.000 Uiso c
H(33) 0.5785 0.0899 0.4667 0.114 1.000 Uiso c
H(34) 0.6452 0.0671 0.3735 0.117 1.000 Uiso c
H(35) 0.5784 0.0730 0.2777 0.100 1.000 Uiso c
H(36) 0.4377 0.0864 0.2749 0.072 1.000 Uiso c
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 192 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 112 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Au 0 8 -2.688 8.798
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F 0 40 0.014 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P 0 8 0.090 0.095
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
2 0 0
0 4 1
1 1 2
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
Au(2) Au(1) P(1) 89.54(9) yes
Au(2) Au(1) C(37) 101.2(3) yes
P(1) Au(1) C(37) 168.0(4) yes
Au(1) Au(2) P(2) 87.25(9) yes
Au(1) Au(2) C(43) 97.4(4) yes
P(2) Au(2) C(43) 172.3(4) yes
Au(1) P(1) C(1) 119.8(4) yes
Au(1) P(1) C(13) 110.7(4) yes
Au(1) P(1) C(19) 108.2(4) yes
C(1) P(1) C(13) 107.3(5) yes
C(1) P(1) C(19) 104.7(5) yes
C(13) P(1) C(19) 105.1(6) yes
Au(2) P(2) C(12) 118.2(4) yes
Au(2) P(2) C(25) 112.8(5) yes
Au(2) P(2) C(31) 109.5(4) yes
C(12) P(2) C(25) 104.9(6) yes
C(12) P(2) C(31) 105.3(6) yes
C(25) P(2) C(31) 105.1(5) yes
P(1) C(1) C(2) 120.4(9) yes
P(1) C(1) C(6) 122(1) yes
C(2) C(1) C(6) 118(1) yes
C(1) C(2) C(3) 122(1) yes
C(1) C(2) H(2) 119.1 no
C(3) C(2) H(2) 119.2 no
C(2) C(3) C(4) 121(1) yes
C(2) C(3) H(3) 119.5 no
C(4) C(3) H(3) 119.5 no
C(3) C(4) C(5) 118(1) yes
C(3) C(4) H(4) 121.0 no
C(5) C(4) H(4) 120.9 no
C(4) C(5) C(6) 122(1) yes
C(4) C(5) H(5) 119.0 no
C(6) C(5) H(5) 118.9 no
C(1) C(6) C(5) 119(1) yes
C(1) C(6) C(7) 121(1) yes
C(5) C(6) C(7) 119(1) yes
C(6) C(7) C(8) 118(1) yes
C(6) C(7) C(12) 125(1) yes
C(8) C(7) C(12) 117(1) yes
C(7) C(8) C(9) 122(2) yes
C(7) C(8) H(8) 118.8 no
C(9) C(8) H(8) 118.8 no
C(8) C(9) C(10) 121(2) yes
C(8) C(9) H(9) 119.4 no
C(10) C(9) H(9) 119.4 no
C(9) C(10) C(11) 119(2) yes
C(9) C(10) H(10) 120.6 no
C(11) C(10) H(10) 120.6 no
C(10) C(11) C(12) 120(1) yes
C(10) C(11) H(11) 120.2 no
C(12) C(11) H(11) 120.1 no
P(2) C(12) C(7) 120(1) yes
P(2) C(12) C(11) 119(1) yes
C(7) C(12) C(11) 121(1) yes
P(1) C(13) C(14) 122(1) yes
P(1) C(13) C(18) 119(1) yes
C(14) C(13) C(18) 119(1) yes
C(13) C(14) C(15) 119(1) yes
C(13) C(14) H(14) 120.4 no
C(15) C(14) H(14) 120.6 no
C(14) C(15) C(16) 122(2) yes
C(14) C(15) H(15) 118.8 no
C(16) C(15) H(15) 118.9 no
C(15) C(16) C(17) 118(2) yes
C(15) C(16) H(16) 121.2 no
C(17) C(16) H(16) 120.9 no
C(16) C(17) C(18) 123(2) yes
C(16) C(17) H(17) 118.7 no
C(18) C(17) H(17) 118.6 no
C(13) C(18) C(17) 119(1) yes
C(13) C(18) H(18) 120.7 no
C(17) C(18) H(18) 120.7 no
P(1) C(19) C(20) 123(1) yes
P(1) C(19) C(24) 119(1) yes
C(20) C(19) C(24) 118(1) yes
C(19) C(20) C(21) 121(1) yes
C(19) C(20) H(20) 119.3 no
C(21) C(20) H(20) 119.5 no
C(20) C(21) C(22) 121(2) yes
C(20) C(21) H(21) 119.6 no
C(22) C(21) H(21) 119.5 no
C(21) C(22) C(23) 118(2) yes
C(21) C(22) H(22) 121.0 no
C(23) C(22) H(22) 120.7 no
C(22) C(23) C(24) 121(2) yes
C(22) C(23) H(23) 119.8 no
C(24) C(23) H(23) 119.6 no
C(19) C(24) C(23) 121(1) yes
C(19) C(24) H(24) 119.4 no
C(23) C(24) H(24) 119.3 no
P(2) C(25) C(26) 123(1) yes
P(2) C(25) C(30) 120(1) yes
C(26) C(25) C(30) 117(1) yes
C(25) C(26) C(27) 120(2) yes
C(25) C(26) H(26) 119.9 no
C(27) C(26) H(26) 119.9 no
C(26) C(27) C(28) 121(2) yes
C(26) C(27) H(27) 119.6 no
C(28) C(27) H(27) 119.7 no
C(27) C(28) C(29) 121(2) yes
C(27) C(28) H(28) 119.7 no
C(29) C(28) H(28) 119.7 no
C(28) C(29) C(30) 119(2) yes
C(28) C(29) H(29) 120.7 no
C(30) C(29) H(29) 120.7 no
C(25) C(30) C(29) 123(1) yes
C(25) C(30) H(30) 118.6 no
C(29) C(30) H(30) 118.6 no
P(2) C(31) C(32) 122(1) yes
P(2) C(31) C(36) 120(1) yes
C(32) C(31) C(36) 118(1) yes
C(31) C(32) C(33) 122(1) yes
C(31) C(32) H(32) 118.9 no
C(33) C(32) H(32) 119.0 no
C(32) C(33) C(34) 118(1) yes
C(32) C(33) H(33) 120.9 no
C(34) C(33) H(33) 120.9 no
C(33) C(34) C(35) 122(2) yes
C(33) C(34) H(34) 118.8 no
C(35) C(34) H(34) 118.8 no
C(34) C(35) C(36) 119(1) yes
C(34) C(35) H(35) 120.4 no
C(36) C(35) H(35) 120.4 no
C(31) C(36) C(35) 120(1) yes
C(31) C(36) H(36) 119.7 no
C(35) C(36) H(36) 119.8 no
Au(1) C(37) C(38) 124(1) yes
Au(1) C(37) C(42) 122(1) yes
C(38) C(37) C(42) 113(1) yes
F(1) C(38) C(37) 120(1) yes
F(1) C(38) C(39) 114(2) yes
C(37) C(38) C(39) 126(2) yes
F(2) C(39) C(38) 122(2) yes
F(2) C(39) C(40) 120(2) yes
C(38) C(39) C(40) 117(2) yes
F(3) C(40) C(39) 118(2) yes
F(3) C(40) C(41) 120(2) yes
C(39) C(40) C(41) 122(2) yes
F(4) C(41) C(40) 119(2) yes
F(4) C(41) C(42) 124(2) yes
C(40) C(41) C(42) 117(2) yes
F(5) C(42) C(37) 120(1) yes
F(5) C(42) C(41) 114(2) yes
C(37) C(42) C(41) 126(2) yes
Au(2) C(43) C(44) 123(1) yes
Au(2) C(43) C(48) 121(1) yes
C(44) C(43) C(48) 116(1) yes
F(6) C(44) C(43) 119(1) yes
F(6) C(44) C(45) 118(2) yes
C(43) C(44) C(45) 123(2) yes
F(7) C(45) C(44) 119(2) yes
F(7) C(45) C(46) 122(2) yes
C(44) C(45) C(46) 119(2) yes
F(8) C(46) C(45) 119(2) yes
F(8) C(46) C(47) 120(2) yes
C(45) C(46) C(47) 120(2) yes
F(9) C(47) C(46) 120(2) yes
F(9) C(47) C(48) 118(2) yes
C(46) C(47) C(48) 122(2) yes
F(10) C(48) C(43) 121(2) yes
F(10) C(48) C(47) 120(2) yes
C(43) C(48) C(47) 119(1) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Au(1) Au(2) 3.0688(8) yes
Au(1) P(1) 2.278(3) yes
Au(1) C(37) 2.02(1) yes
Au(2) P(2) 2.285(3) yes
Au(2) C(43) 2.04(1) yes
P(1) C(1) 1.83(1) yes
P(1) C(13) 1.81(1) yes
P(1) C(19) 1.83(1) yes
P(2) C(12) 1.83(1) yes
P(2) C(25) 1.81(1) yes
P(2) C(31) 1.81(1) yes
F(1) C(38) 1.36(1) yes
F(2) C(39) 1.34(1) yes
F(3) C(40) 1.37(1) yes
F(4) C(41) 1.34(1) yes
F(5) C(42) 1.34(1) yes
F(6) C(44) 1.35(1) yes
F(7) C(45) 1.33(1) yes
F(8) C(46) 1.35(2) yes
F(9) C(47) 1.36(2) yes
F(10) C(48) 1.28(1) yes
C(1) C(2) 1.39(1) yes
C(1) C(6) 1.40(1) yes
C(2) C(3) 1.36(1) yes
C(2) H(2) 0.95 no
C(3) C(4) 1.37(2) yes
C(3) H(3) 0.95 no
C(4) C(5) 1.39(2) yes
C(4) H(4) 0.95 no
C(5) C(6) 1.38(1) yes
C(5) H(5) 0.95 no
C(6) C(7) 1.48(2) yes
C(7) C(8) 1.37(2) yes
C(7) C(12) 1.42(1) yes
C(8) C(9) 1.38(2) yes
C(8) H(8) 0.95 no
C(9) C(10) 1.37(2) yes
C(9) H(9) 0.95 no
C(10) C(11) 1.40(2) yes
C(10) H(10) 0.95 no
C(11) C(12) 1.41(2) yes
C(11) H(11) 0.95 no
C(13) C(14) 1.40(1) yes
C(13) C(18) 1.39(1) yes
C(14) C(15) 1.37(2) yes
C(14) H(14) 0.95 no
C(15) C(16) 1.36(2) yes
C(15) H(15) 0.95 no
C(16) C(17) 1.37(2) yes
C(16) H(16) 0.95 no
C(17) C(18) 1.37(2) yes
C(17) H(17) 0.95 no
C(18) H(18) 0.95 no
C(19) C(20) 1.38(2) yes
C(19) C(24) 1.37(2) yes
C(20) C(21) 1.38(2) yes
C(20) H(20) 0.95 no
C(21) C(22) 1.37(2) yes
C(21) H(21) 0.95 no
C(22) C(23) 1.37(2) yes
C(22) H(22) 0.95 no
C(23) C(24) 1.39(2) yes
C(23) H(23) 0.95 no
C(24) H(24) 0.95 no
C(25) C(26) 1.41(2) yes
C(25) C(30) 1.37(2) yes
C(26) C(27) 1.37(2) yes
C(26) H(26) 0.95 no
C(27) C(28) 1.35(2) yes
C(27) H(27) 0.95 no
C(28) C(29) 1.38(2) yes
C(28) H(28) 0.95 no
C(29) C(30) 1.36(2) yes
C(29) H(29) 0.95 no
C(30) H(30) 0.95 no
C(31) C(32) 1.40(1) yes
C(31) C(36) 1.37(1) yes
C(32) C(33) 1.36(2) yes
C(32) H(32) 0.95 no
C(33) C(34) 1.35(2) yes
C(33) H(33) 0.95 no
C(34) C(35) 1.36(2) yes
C(34) H(34) 0.95 no
C(35) C(36) 1.39(2) yes
C(35) H(35) 0.95 no
C(36) H(36) 0.95 no
C(37) C(38) 1.35(2) yes
C(37) C(42) 1.38(2) yes
C(38) C(39) 1.38(2) yes
C(39) C(40) 1.37(2) yes
C(40) C(41) 1.37(2) yes
C(41) C(42) 1.38(2) yes
C(43) C(44) 1.38(2) yes
C(43) C(48) 1.42(2) yes
C(44) C(45) 1.39(2) yes
C(45) C(46) 1.37(2) yes
C(46) C(47) 1.33(2) yes
C(47) C(48) 1.43(2) yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Au(2) F(2) 3.492(9) 2_645 no
F(1) C(35) 3.31(2) 2_655 no
F(1) F(6) 3.40(1) 2_655 no
F(1) C(36) 3.50(1) 2_655 no
F(2) F(6) 3.27(1) 2_655 no
F(2) C(17) 3.45(2) 2_645 no
F(2) C(36) 3.48(2) 2_655 no
F(3) F(7) 3.34(1) 3_655 no
F(3) C(9) 3.38(2) 2_645 no
F(3) C(30) 3.43(2) 2_655 no
F(3) C(29) 3.58(2) 2_655 no
F(4) C(11) 3.36(2) 4_554 no
F(4) C(10) 3.41(2) 4_554 no
F(5) C(26) 3.47(2) 4_554 no
F(7) C(9) 3.44(2) 4_554 no
F(8) C(29) 3.41(2) 4_544 no
F(9) C(3) 3.41(2) 2_545 no
F(9) C(4) 3.48(2) 2_545 no
F(9) C(14) 3.54(2) 2_545 no
F(9) C(2) 3.60(2) 2_545 no
F(10) C(14) 3.30(1) 2_545 no
C(2) C(15) 3.53(2) 2_545 no
C(35) C(38) 3.49(2) 2_645 no
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_publ_flag
Au(1) Au(2) P(2) C(12) 29.8(5) no
Au(1) Au(2) P(2) C(25) 152.6(4) no
Au(1) Au(2) P(2) C(31) -90.7(4) no
Au(1) Au(2) C(43) C(44) 81(1) no
Au(1) Au(2) C(43) C(48) -94(1) no
Au(1) P(1) C(1) C(2) -124(1) no
Au(1) P(1) C(1) C(6) 58(1) no
Au(1) P(1) C(13) C(14) -160.1(9) no
Au(1) P(1) C(13) C(18) 24(1) no
Au(1) P(1) C(19) C(20) -152(1) no
Au(1) P(1) C(19) C(24) 29(1) no
Au(1) C(37) C(38) F(1) 8(2) no
Au(1) C(37) C(38) C(39) -173(1) no
Au(1) C(37) C(42) F(5) -6(2) no
Au(1) C(37) C(42) C(41) 174(1) no
Au(2) Au(1) P(1) C(1) 22.9(5) no
Au(2) Au(1) P(1) C(13) 148.5(4) no
Au(2) Au(1) P(1) C(19) -96.9(4) no
Au(2) Au(1) C(37) C(38) -105(1) no
Au(2) Au(1) C(37) C(42) 84(1) no
Au(2) P(2) C(12) C(7) 59(1) no
Au(2) P(2) C(12) C(11) -125(1) no
Au(2) P(2) C(25) C(26) -154(1) no
Au(2) P(2) C(25) C(30) 25(1) no
Au(2) P(2) C(31) C(32) -159(1) no
Au(2) P(2) C(31) C(36) 26(1) no
Au(2) C(43) C(44) F(6) 4(2) no
Au(2) C(43) C(44) C(45) -177(1) no
Au(2) C(43) C(48) F(10) -4(2) no
Au(2) C(43) C(48) C(47) 175(1) no
P(1) Au(1) Au(2) P(2) -91.1(1) no
P(1) Au(1) Au(2) C(43) 95.0(4) no
P(1) Au(1) C(37) C(38) 102(2) no
P(1) Au(1) C(37) C(42) -69(3) no
P(1) C(1) C(2) C(3) -179(1) no
P(1) C(1) C(6) C(5) 179.4(9) no
P(1) C(1) C(6) C(7) 5(2) no
P(1) C(13) C(14) C(15) -180(1) no
P(1) C(13) C(18) C(17) -180(1) no
P(1) C(19) C(20) C(21) -180(1) no
P(1) C(19) C(24) C(23) 179(1) no
P(2) Au(2) Au(1) C(37) 94.2(4) no
P(2) Au(2) C(43) C(44) -46(4) no
P(2) Au(2) C(43) C(48) 138(3) no
P(2) C(12) C(7) C(6) -7(2) no
P(2) C(12) C(7) C(8) 170.4(9) no
P(2) C(12) C(11) C(10) -175(1) no
P(2) C(25) C(26) C(27) -179(1) no
P(2) C(25) C(30) C(29) 178(1) no
P(2) C(31) C(32) C(33) -174(1) no
P(2) C(31) C(36) C(35) 173(1) no
F(1) C(38) C(37) C(42) -180(1) no
F(1) C(38) C(39) F(2) 0(2) no
F(1) C(38) C(39) C(40) -179(1) no
F(2) C(39) C(38) C(37) -179(1) no
F(2) C(39) C(40) F(3) 1(2) no
F(2) C(39) C(40) C(41) 178(1) no
F(3) C(40) C(39) C(38) 180(1) no
F(3) C(40) C(41) F(4) -3(2) no
F(3) C(40) C(41) C(42) -179(1) no
F(4) C(41) C(40) C(39) -180(1) no
F(4) C(41) C(42) F(5) 1(2) no
F(4) C(41) C(42) C(37) -179(1) no
F(5) C(42) C(37) C(38) -178(1) no
F(5) C(42) C(41) C(40) 177(1) no
F(6) C(44) C(43) C(48) 179(1) no
F(6) C(44) C(45) F(7) 1(2) no
F(6) C(44) C(45) C(46) -180(2) no
F(7) C(45) C(44) C(43) -178(1) no
F(7) C(45) C(46) F(8) -4(3) no
F(7) C(45) C(46) C(47) -179(2) no
F(8) C(46) C(45) C(44) 177(1) no
F(8) C(46) C(47) F(9) 2(3) no
F(8) C(46) C(47) C(48) -179(1) no
F(9) C(47) C(46) C(45) 177(2) no
F(9) C(47) C(48) F(10) 2(2) no
F(9) C(47) C(48) C(43) -178(1) no
F(10) C(48) C(43) C(44) -180(1) no
F(10) C(48) C(47) C(46) -177(2) no
C(1) P(1) Au(1) C(37) 177(2) no
C(1) P(1) C(13) C(14) -28(1) no
C(1) P(1) C(13) C(18) 156(1) no
C(1) P(1) C(19) C(20) 79(1) no
C(1) P(1) C(19) C(24) -100(1) no
C(1) C(2) C(3) C(4) -1(2) no
C(1) C(6) C(5) C(4) 0(2) no
C(1) C(6) C(7) C(8) 89(2) no
C(1) C(6) C(7) C(12) -93(2) no
C(2) C(1) P(1) C(13) 109(1) no
C(2) C(1) P(1) C(19) -3(1) no
C(2) C(1) C(6) C(5) 1(2) no
C(2) C(1) C(6) C(7) -173(1) no
C(2) C(3) C(4) C(5) 2(2) no
C(3) C(2) C(1) C(6) 0(2) no
C(3) C(4) C(5) C(6) -2(2) no
C(4) C(5) C(6) C(7) 174(1) no
C(5) C(6) C(7) C(8) -86(2) no
C(5) C(6) C(7) C(12) 92(2) no
C(6) C(1) P(1) C(13) -70(1) no
C(6) C(1) P(1) C(19) 179(1) no
C(6) C(7) C(8) C(9) -176(1) no
C(6) C(7) C(12) C(11) 176(1) no
C(7) C(8) C(9) C(10) -2(3) no
C(7) C(12) P(2) C(25) -68(1) no
C(7) C(12) P(2) C(31) -178.3(9) no
C(7) C(12) C(11) C(10) 1(2) no
C(8) C(7) C(12) C(11) -6(2) no
C(8) C(9) C(10) C(11) -2(3) no
C(9) C(8) C(7) C(12) 6(2) no
C(9) C(10) C(11) C(12) 3(2) no
C(11) C(12) P(2) C(25) 109(1) no
C(11) C(12) P(2) C(31) -2(1) no
C(12) P(2) Au(2) C(43) 158(3) no
C(12) P(2) C(25) C(26) -24(1) no
C(12) P(2) C(25) C(30) 155(1) no
C(12) P(2) C(31) C(32) 73(1) no
C(12) P(2) C(31) C(36) -102(1) no
C(13) P(1) Au(1) C(37) -57(2) no
C(13) P(1) C(19) C(20) -34(1) no
C(13) P(1) C(19) C(24) 147(1) no
C(13) C(14) C(15) C(16) 1(2) no
C(13) C(18) C(17) C(16) -2(3) no
C(14) C(13) P(1) C(19) 83(1) no
C(14) C(13) C(18) C(17) 4(2) no
C(14) C(15) C(16) C(17) 1(3) no
C(15) C(14) C(13) C(18) -4(2) no
C(15) C(16) C(17) C(18) 0(3) no
C(18) C(13) P(1) C(19) -93(1) no
C(19) P(1) Au(1) C(37) 57(2) no
C(19) C(20) C(21) C(22) 2(2) no
C(19) C(24) C(23) C(22) -1(2) no
C(20) C(19) C(24) C(23) 0(2) no
C(20) C(21) C(22) C(23) -3(2) no
C(21) C(20) C(19) C(24) -1(2) no
C(21) C(22) C(23) C(24) 2(2) no
C(25) P(2) Au(2) C(43) -80(3) no
C(25) P(2) C(31) C(32) -38(1) no
C(25) P(2) C(31) C(36) 147(1) no
C(25) C(26) C(27) C(28) -1(3) no
C(25) C(30) C(29) C(28) 3(2) no
C(26) C(25) P(2) C(31) 86(1) no
C(26) C(25) C(30) C(29) -2(2) no
C(26) C(27) C(28) C(29) 2(3) no
C(27) C(26) C(25) C(30) 1(2) no
C(27) C(28) C(29) C(30) -3(3) no
C(30) C(25) P(2) C(31) -94(1) no
C(31) P(2) Au(2) C(43) 37(3) no
C(31) C(32) C(33) C(34) -2(3) no
C(31) C(36) C(35) C(34) 3(3) no
C(32) C(31) C(36) C(35) -2(2) no
C(32) C(33) C(34) C(35) 2(3) no
C(33) C(32) C(31) C(36) 2(2) no
C(33) C(34) C(35) C(36) -3(3) no
C(37) Au(1) Au(2) C(43) -79.7(6) no
C(37) C(38) C(39) C(40) 2(3) no
C(37) C(42) C(41) C(40) -3(3) no
C(38) C(37) C(42) C(41) 2(2) no
C(38) C(39) C(40) C(41) -4(3) no
C(39) C(38) C(37) C(42) -1(2) no
C(39) C(40) C(41) C(42) 4(3) no
C(43) C(44) C(45) C(46) 1(3) no
C(43) C(48) C(47) C(46) 4(3) no
C(44) C(43) C(48) C(47) -1(2) no
C(44) C(45) C(46) C(47) 2(3) no
C(45) C(44) C(43) C(48) -1(2) no
C(45) C(46) C(47) C(48) -4(3) no
