#------------------------------------------------------------------------------
#$Date: 2011-09-10 04:16:28 +0100 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006107.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_2006107
loop_
_publ_author_name
'Jones, P. G.'
'Villacampa, M. D.'
'Crespo, O.'
'Gimeno, M. C.'
'Laguna, A.'
_publ_section_title
;
cis-[7,8-Bis(diphenylphosphino)-7,8-dicarba-nido-undecaborato-P,P']dichlorogold(III)
Chloroform Solvate
;
_journal_issue 5
_journal_name_full 'Acta Crystallographica Section C'
_journal_page_first 570
_journal_page_last 572
_journal_volume 53
_journal_year 1997
_chemical_formula_iupac '[Au Cl2 (C26 H30 B9 P2)] , C H Cl3'
_chemical_formula_moiety '(C26 H30 Au B9 Cl2 P2) (C H Cl3)'
_chemical_formula_sum 'C27 H31 Au B9 Cl5 P2'
_chemical_formula_weight 888.96
_chemical_name_systematic
;
?
;
_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'
_audit_creation_method SHELXL
_cell_angle_alpha 90.00
_cell_angle_beta 93.360(6)
_cell_angle_gamma 90.00
_cell_formula_units_Z 4
_cell_length_a 11.872(2)
_cell_length_b 8.477(2)
_cell_length_c 34.557(5)
_cell_measurement_reflns_used 62
_cell_measurement_temperature 173(2)
_cell_measurement_theta_max 11.5
_cell_measurement_theta_min 2.5
_cell_volume 3471.8(11)
_computing_cell_refinement XSCANS
_computing_data_collection 'XSCANS (Siemens, 1991)'
_computing_data_reduction XSCANS
_computing_molecular_graphics 'XP (Siemens, 1994b)'
_computing_publication_material SHELXL93
_computing_structure_refinement 'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution 'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature 173(2)
_diffrn_measurement_device 'Siemens P4'
_diffrn_measurement_method \w-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 0.0771
_diffrn_reflns_av_sigmaI/netI 0.1222
_diffrn_reflns_limit_h_max 0
_diffrn_reflns_limit_h_min -14
_diffrn_reflns_limit_k_max 0
_diffrn_reflns_limit_k_min -10
_diffrn_reflns_limit_l_max 41
_diffrn_reflns_limit_l_min -40
_diffrn_reflns_number 6164
_diffrn_reflns_theta_max 25.00
_diffrn_reflns_theta_min 3.00
_diffrn_standards_decay_% 0
_diffrn_standards_interval_count 247
_diffrn_standards_number 3
_exptl_absorpt_coefficient_mu 4.735
_exptl_absorpt_correction_T_max 0.753
_exptl_absorpt_correction_T_min 0.608
_exptl_absorpt_correction_type '\y scans (XEMP; Siemens, 1994a)'
_exptl_crystal_colour colour
_exptl_crystal_density_diffrn 1.701
_exptl_crystal_density_meas 'not measured'
_exptl_crystal_description tablet
_exptl_crystal_F_000 1728
_exptl_crystal_size_max 0.40
_exptl_crystal_size_mid 0.20
_exptl_crystal_size_min 0.06
_refine_diff_density_max 0.839
_refine_diff_density_min -1.107
_refine_ls_extinction_method none
_refine_ls_goodness_of_fit_all 0.820
_refine_ls_goodness_of_fit_obs 0.942
_refine_ls_hydrogen_treatment
'open face B-H with distance restraints, others riding'
_refine_ls_matrix_type full
_refine_ls_number_parameters 413
_refine_ls_number_reflns 6097
_refine_ls_number_restraints 298
_refine_ls_restrained_S_all 0.805
_refine_ls_restrained_S_obs 0.909
_refine_ls_R_factor_all 0.0834
_refine_ls_R_factor_obs 0.0412
_refine_ls_shift/esd_max 0.001
_refine_ls_shift/esd_mean 0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
'calc w = 1/[\s^2^(Fo^2^)+(0.0171P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_wR_factor_all 0.0700
_refine_ls_wR_factor_obs 0.0624
_reflns_number_observed 3852
_reflns_number_total 6098
_reflns_observed_criterion >2sigma(I)
_[local]_cod_data_source_file fg1231.cif
_[local]_cod_data_source_block small
_[local]_cod_cif_authors_sg_H-M 'P 21/c'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (18 times).
Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana
;
_cod_original_cell_volume 3471.7(9)
_cod_database_code 2006107
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Au 0.02221(14) 0.01553(13) 0.01950(13) 0.0012(2) 0.00122(10) -0.0006(2)
Cl1 0.0417(13) 0.0212(11) 0.0318(12) 0.0031(10) -0.0019(10) 0.0066(9)
Cl2 0.0447(13) 0.0232(11) 0.0349(12) 0.0112(10) 0.0048(10) -0.0096(9)
P1 0.0235(11) 0.0159(11) 0.0175(10) -0.0016(9) 0.0028(9) 0.0000(9)
P2 0.0269(12) 0.0150(11) 0.0170(10) 0.0017(9) 0.0036(9) -0.0022(9)
C11 0.021(4) 0.020(4) 0.025(4) 0.000(3) 0.008(3) 0.007(3)
C12 0.032(5) 0.032(5) 0.021(4) 0.001(4) -0.005(3) 0.005(3)
C13 0.022(5) 0.054(5) 0.018(4) 0.013(4) 0.003(3) 0.006(4)
C14 0.025(4) 0.051(6) 0.042(4) 0.007(4) 0.014(4) 0.019(4)
C15 0.033(5) 0.040(5) 0.048(5) -0.014(4) 0.006(4) 0.012(4)
C16 0.027(4) 0.031(4) 0.033(4) -0.003(4) 0.010(3) -0.001(4)
C21 0.024(4) 0.028(4) 0.022(4) -0.004(3) 0.000(3) -0.004(4)
C22 0.029(4) 0.025(5) 0.038(5) -0.002(4) -0.004(3) -0.002(4)
C23 0.030(4) 0.020(5) 0.053(5) -0.008(4) 0.003(4) -0.007(4)
C24 0.029(5) 0.046(5) 0.043(5) -0.006(4) -0.006(4) -0.020(4)
C25 0.042(5) 0.040(5) 0.025(5) 0.007(4) -0.007(4) -0.015(4)
C26 0.037(5) 0.029(5) 0.020(4) -0.001(4) -0.002(4) -0.005(3)
C31 0.026(4) 0.022(4) 0.025(4) 0.005(3) 0.000(4) -0.001(3)
C32 0.040(5) 0.035(5) 0.023(4) -0.007(4) -0.005(4) 0.001(4)
C33 0.060(7) 0.067(7) 0.022(4) 0.006(5) -0.009(4) -0.002(4)
C34 0.033(5) 0.058(6) 0.030(4) 0.017(4) -0.011(4) -0.028(5)
C35 0.021(4) 0.045(6) 0.050(5) -0.002(4) 0.000(4) -0.022(4)
C36 0.021(4) 0.030(4) 0.028(4) 0.008(4) 0.000(3) -0.006(4)
C41 0.021(4) 0.025(4) 0.022(4) 0.004(3) -0.002(3) 0.002(3)
C42 0.041(5) 0.019(4) 0.035(5) 0.002(4) 0.014(4) -0.001(4)
C43 0.035(5) 0.040(5) 0.042(5) 0.007(4) 0.014(4) 0.001(4)
C44 0.025(4) 0.039(5) 0.048(5) 0.002(4) 0.014(4) 0.008(4)
C45 0.036(4) 0.018(5) 0.050(5) -0.004(4) 0.004(4) 0.002(4)
C46 0.030(4) 0.025(5) 0.038(5) -0.002(4) 0.011(4) -0.003(4)
C99 0.051(5) 0.044(6) 0.042(5) 0.007(5) 0.001(4) 0.007(5)
Cl3 0.101(2) 0.060(2) 0.048(2) 0.025(2) 0.009(2) 0.0016(14)
Cl4 0.088(2) 0.065(2) 0.064(2) 0.014(2) 0.004(2) 0.024(2)
Cl5 0.058(2) 0.094(3) 0.101(2) 0.012(2) -0.029(2) -0.014(2)
B1 0.016(4) 0.031(5) 0.049(6) 0.005(4) -0.001(4) -0.001(4)
B2 0.015(5) 0.026(4) 0.030(5) -0.005(4) 0.003(4) -0.008(4)
B3 0.021(5) 0.023(5) 0.034(5) 0.007(4) 0.009(4) -0.005(4)
B4 0.033(5) 0.038(5) 0.033(5) 0.021(4) 0.009(4) -0.003(4)
B5 0.033(5) 0.034(5) 0.031(5) 0.011(4) 0.003(4) -0.003(4)
B6 0.024(5) 0.032(5) 0.026(4) 0.011(4) -0.008(4) -0.003(4)
C7 0.020(4) 0.021(4) 0.009(3) 0.001(3) -0.003(3) 0.000(3)
C8 0.011(3) 0.026(4) 0.015(3) 0.000(3) 0.001(3) 0.003(3)
B9 0.038(5) 0.011(4) 0.021(4) -0.002(4) 0.008(3) -0.003(3)
B10 0.037(6) 0.021(4) 0.030(5) 0.010(4) 0.002(4) -0.002(3)
B11 0.029(4) 0.015(4) 0.021(4) 0.006(4) 0.006(3) 0.002(4)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
Au 0.36041(3) 0.52718(3) 0.117880(10) 0.01908(8) Uani d . 1 Au
Cl1 0.4201(2) 0.3579(2) 0.16831(6) 0.0317(5) Uani d . 1 Cl
Cl2 0.4384(2) 0.3615(2) 0.07296(6) 0.0341(5) Uani d . 1 Cl
P1 0.2896(2) 0.7044(2) 0.16086(5) 0.0189(5) Uani d . 1 P
P2 0.3122(2) 0.7048(2) 0.06954(5) 0.0195(5) Uani d . 1 P
C11 0.2085(6) 0.6159(9) 0.1976(2) 0.022(2) Uani d DU 1 C
C12 0.1946(6) 0.6985(9) 0.2318(2) 0.028(2) Uani d DU 1 C
H12 0.2291(6) 0.7988(9) 0.2357(2) 0.034 Uiso calc R 1 H
C13 0.1310(6) 0.6351(10) 0.2600(2) 0.031(2) Uani d DU 1 C
H13 0.1219(6) 0.6910(10) 0.2834(2) 0.038 Uiso calc R 1 H
C14 0.0805(6) 0.4895(10) 0.2541(2) 0.039(2) Uani d DU 1 C
H14 0.0349(6) 0.4468(10) 0.2732(2) 0.047 Uiso calc R 1 H
C15 0.0959(6) 0.4053(10) 0.2204(2) 0.040(2) Uani d DU 1 C
H15 0.0643(6) 0.3029(10) 0.2170(2) 0.048 Uiso calc R 1 H
C16 0.1576(6) 0.4711(10) 0.1919(2) 0.030(2) Uani d DU 1 C
H16 0.1649(6) 0.4163(10) 0.1682(2) 0.036 Uiso calc R 1 H
C21 0.4091(6) 0.7974(9) 0.1854(2) 0.025(2) Uani d DU 1 C
C22 0.4506(6) 0.9415(9) 0.1746(2) 0.031(2) Uani d DU 1 C
H22 0.4101(6) 1.0040(9) 0.1556(2) 0.037 Uiso calc R 1 H
C23 0.5529(6) 0.9943(9) 0.1917(2) 0.034(2) Uani d DU 1 C
H23 0.5833(6) 1.0919(9) 0.1837(2) 0.041 Uiso calc R 1 H
C24 0.6103(7) 0.9077(9) 0.2199(2) 0.040(2) Uani d DU 1 C
H24 0.6799(7) 0.9452(9) 0.2314(2) 0.048 Uiso calc R 1 H
C25 0.5671(7) 0.7671(10) 0.2315(2) 0.036(2) Uani d DU 1 C
H25 0.6059(7) 0.7090(10) 0.2516(2) 0.043 Uiso calc R 1 H
C26 0.4675(6) 0.7080(9) 0.2143(2) 0.029(2) Uani d DU 1 C
H26 0.4392(6) 0.6086(9) 0.2220(2) 0.035 Uiso calc R 1 H
C31 0.2496(6) 0.6126(8) 0.0268(2) 0.024(2) Uani d DU 1 C
C32 0.2632(6) 0.6792(9) -0.0093(2) 0.033(2) Uani d DU 1 C
H32 0.3106(6) 0.7687(9) -0.0116(2) 0.040 Uiso calc R 1 H
C33 0.2086(7) 0.6161(11) -0.0417(2) 0.050(2) Uani d DU 1 C
H33 0.2164(7) 0.6642(11) -0.0662(2) 0.060 Uiso calc R 1 H
C34 0.1427(6) 0.4840(11) -0.0391(2) 0.041(2) Uani d DU 1 C
H34 0.1079(6) 0.4384(11) -0.0619(2) 0.049 Uiso calc R 1 H
C35 0.1267(6) 0.4171(10) -0.0032(2) 0.039(2) Uani d DU 1 C
H35 0.0782(6) 0.3286(10) -0.0012(2) 0.046 Uiso calc R 1 H
C36 0.1806(5) 0.4787(10) 0.0290(2) 0.027(2) Uani d DU 1 C
H36 0.1715(5) 0.4305(10) 0.0535(2) 0.032 Uiso calc R 1 H
C41 0.4407(6) 0.7987(9) 0.0569(2) 0.023(2) Uani d DU 1 C
C42 0.5130(6) 0.7191(9) 0.0332(2) 0.031(2) Uani d DU 1 C
H42 0.4905(6) 0.6215(9) 0.0216(2) 0.037 Uiso calc R 1 H
C43 0.6171(7) 0.7820(10) 0.0265(2) 0.038(2) Uani d DU 1 C
H43 0.6646(7) 0.7300(10) 0.0094(2) 0.046 Uiso calc R 1 H
C44 0.6529(7) 0.9194(9) 0.0445(2) 0.037(2) Uani d DU 1 C
H44 0.7265(7) 0.9586(9) 0.0410(2) 0.044 Uiso calc R 1 H
C45 0.5820(6) 0.9998(9) 0.0675(2) 0.035(2) Uani d DU 1 C
H45 0.6056(6) 1.0965(9) 0.0792(2) 0.042 Uiso calc R 1 H
C46 0.4762(6) 0.9401(9) 0.0736(2) 0.031(2) Uani d DU 1 C
H46 0.4273(6) 0.9965(9) 0.0894(2) 0.037 Uiso calc R 1 H
C99 0.7043(7) 0.5115(10) 0.1662(2) 0.045(2) Uani d . 1 C
H99 0.6342(7) 0.4960(10) 0.1805(2) 0.055 Uiso calc R 1 H
Cl3 0.7439(3) 0.3277(3) 0.14747(7) 0.0697(8) Uani d . 1 Cl
Cl4 0.6748(2) 0.6460(3) 0.12899(8) 0.0724(9) Uani d . 1 Cl
Cl5 0.8108(2) 0.5798(4) 0.19919(9) 0.0859(11) Uani d . 1 Cl
B1 -0.0086(8) 0.9045(11) 0.0993(3) 0.032(2) Uani d U 1 B
H1 -0.1005(8) 0.8766(11) 0.0940(3) 0.038 Uiso calc R 1 H
B2 0.0961(7) 0.7534(11) 0.1051(2) 0.024(2) Uani d U 1 B
H2 0.0780(7) 0.6237(11) 0.1041(2) 0.029 Uiso calc R 1 H
B3 0.0631(7) 0.8727(10) 0.1450(3) 0.026(2) Uani d U 1 B
H3 0.0195(7) 0.8205(10) 0.1699(3) 0.031 Uiso calc R 1 H
B4 0.0392(8) 1.0659(11) 0.1287(3) 0.035(2) Uani d U 1 B
H4 -0.0215(8) 1.1437(11) 0.1433(3) 0.042 Uiso calc R 1 H
B5 0.0544(8) 1.0700(11) 0.0776(3) 0.033(2) Uani d U 1 B
H5 0.0055(8) 1.1513(11) 0.0574(3) 0.039 Uiso calc R 1 H
B6 0.0851(8) 0.8765(11) 0.0629(3) 0.028(2) Uani d U 1 B
H6 0.0562(8) 0.8273(11) 0.0340(3) 0.033 Uiso calc R 1 H
C7 0.2144(6) 0.8462(8) 0.0883(2) 0.017(2) Uani d U 1 C
C8 0.2026(5) 0.8472(8) 0.1334(2) 0.017(2) Uani d U 1 C
B9 0.1728(7) 1.0164(11) 0.1517(2) 0.023(2) Uani d DU 1 B
H9 0.208(4) 1.056(7) 0.1798(12) 0.020(18) Uiso d D 1 H
B10 0.1582(9) 1.1508(12) 0.1105(3) 0.029(2) Uani d DU 1 B
H10A 0.160(5) 1.280(4) 0.1076(16) 0.009(16) Uiso d D 1 H
H10B 0.235(4) 1.090(8) 0.103(2) 0.06(3) Uiso d D 1 H
B11 0.1967(7) 1.0223(11) 0.0690(2) 0.021(2) Uani d DU 1 B
H11 0.246(4) 1.057(7) 0.0446(13) 0.025(19) Uiso d D 1 H
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'
B B 0.0013 0.0007 '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'
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_publ_flag
P2 Au P1 87.53(7) y
P2 Au Cl2 90.14(7) y
P1 Au Cl2 176.38(8) y
P2 Au Cl1 176.02(7) y
P1 Au Cl1 91.48(7) y
Cl2 Au Cl1 90.67(7) y
C21 P1 C11 106.9(3) y
C21 P1 C8 111.3(3) y
C11 P1 C8 109.5(3) y
C21 P1 Au 106.4(2) y
C11 P1 Au 114.4(3) y
C8 P1 Au 108.4(2) y
C31 P2 C41 108.0(3) y
C31 P2 C7 109.8(3) y
C41 P2 C7 111.3(3) y
C31 P2 Au 112.8(2) y
C41 P2 Au 106.8(2) y
C7 P2 Au 108.1(2) y
C16 C11 C12 119.8(7) ?
C16 C11 P1 121.2(6) ?
C12 C11 P1 118.9(6) ?
C13 C12 C11 120.1(7) ?
C12 C13 C14 119.6(8) ?
C13 C14 C15 120.5(8) ?
C16 C15 C14 119.6(8) ?
C11 C16 C15 120.3(8) ?
C22 C21 C26 120.2(7) ?
C22 C21 P1 123.2(6) ?
C26 C21 P1 116.3(6) ?
C21 C22 C23 119.1(7) ?
C24 C23 C22 121.0(7) ?
C25 C24 C23 119.7(8) ?
C24 C25 C26 121.1(8) ?
C25 C26 C21 118.8(7) ?
C32 C31 C36 118.5(7) ?
C32 C31 P2 119.9(6) ?
C36 C31 P2 121.5(5) ?
C33 C32 C31 120.1(8) ?
C32 C33 C34 120.7(8) ?
C33 C34 C35 120.1(8) ?
C36 C35 C34 119.6(8) ?
C35 C36 C31 121.0(7) ?
C46 C41 C42 118.7(7) ?
C46 C41 P2 121.6(6) ?
C42 C41 P2 119.3(6) ?
C43 C42 C41 120.0(7) ?
C44 C43 C42 120.6(8) ?
C45 C44 C43 119.9(8) ?
C44 C45 C46 120.0(7) ?
C45 C46 C41 120.7(7) ?
Cl4 C99 Cl5 111.8(5) ?
Cl4 C99 Cl3 110.7(4) ?
Cl5 C99 Cl3 109.5(4) ?
B6 B1 B3 109.2(6) ?
B6 B1 B4 108.7(7) ?
B3 B1 B4 59.1(5) ?
B6 B1 B5 60.0(5) ?
B3 B1 B5 107.7(6) ?
B4 B1 B5 60.3(5) ?
B6 B1 B2 60.9(5) ?
B3 B1 B2 59.8(5) ?
B4 B1 B2 106.9(6) ?
B5 B1 B2 107.7(6) ?
C7 B2 C8 53.8(4) ?
C7 B2 B3 102.8(6) ?
C8 B2 B3 59.3(4) ?
C7 B2 B1 102.1(6) ?
C8 B2 B1 102.2(6) ?
B3 B2 B1 59.6(5) ?
C7 B2 B6 59.1(5) ?
C8 B2 B6 101.9(6) ?
B3 B2 B6 107.0(6) ?
B1 B2 B6 58.4(5) ?
C8 B3 B4 100.4(7) ?
C8 B3 B1 103.2(6) ?
B4 B3 B1 60.7(5) ?
C8 B3 B2 59.6(4) ?
B4 B3 B2 108.8(7) ?
B1 B3 B2 60.6(5) ?
C8 B3 B9 54.4(4) ?
B4 B3 B9 60.5(5) ?
B1 B3 B9 108.7(6) ?
B2 B3 B9 107.3(6) ?
B10 B4 B3 112.7(7) ?
B10 B4 B1 110.6(7) ?
B3 B4 B1 60.2(5) ?
B10 B4 B9 62.4(5) ?
B3 B4 B9 60.9(5) ?
B1 B4 B9 108.7(6) ?
B10 B4 B5 60.1(5) ?
B3 B4 B5 108.2(6) ?
B1 B4 B5 59.9(5) ?
B9 B4 B5 107.9(6) ?
B6 B5 B10 113.5(7) ?
B6 B5 B1 59.1(5) ?
B10 B5 B1 109.2(7) ?
B6 B5 B11 61.7(5) ?
B10 B5 B11 64.0(5) ?
B1 B5 B11 108.6(6) ?
B6 B5 B4 107.5(6) ?
B10 B5 B4 58.5(5) ?
B1 B5 B4 59.8(5) ?
B11 B5 B4 108.2(6) ?
C7 B6 B1 103.8(6) ?
C7 B6 B5 100.6(6) ?
B1 B6 B5 60.9(5) ?
C7 B6 B2 59.0(4) ?
B1 B6 B2 60.8(5) ?
B5 B6 B2 108.4(6) ?
C7 B6 B11 55.0(4) ?
B1 B6 B11 108.4(6) ?
B5 B6 B11 59.6(5) ?
B2 B6 B11 106.5(6) ?
C8 C7 B11 112.3(6) ?
C8 C7 B2 63.3(4) ?
B11 C7 B2 117.3(6) ?
C8 C7 B6 111.7(6) ?
B11 C7 B6 64.8(5) ?
B2 C7 B6 61.9(5) ?
C8 C7 P2 117.0(5) ?
B11 C7 P2 121.7(5) ?
B2 C7 P2 111.5(5) ?
B6 C7 P2 118.8(5) ?
C7 C8 B9 115.3(6) ?
C7 C8 B3 111.7(5) ?
B9 C8 B3 64.3(5) ?
C7 C8 B2 62.9(4) ?
B9 C8 B2 117.2(6) ?
B3 C8 B2 61.2(4) ?
C7 C8 P1 115.5(5) ?
B9 C8 P1 121.2(5) ?
B3 C8 P1 118.8(5) ?
B2 C8 P1 111.1(5) ?
C8 B9 B4 104.1(6) ?
C8 B9 B3 61.2(5) ?
B4 B9 B3 58.7(5) ?
C8 B9 B10 105.2(6) ?
B4 B9 B10 57.5(5) ?
B3 B9 B10 106.8(6) ?
B4 B10 B5 61.3(5) ?
B4 B10 B9 60.0(5) ?
B5 B10 B9 106.9(7) ?
B4 B10 B11 106.0(7) ?
B5 B10 B11 58.3(5) ?
B9 B10 B11 102.5(6) ?
C7 B11 B5 103.9(6) ?
C7 B11 B6 60.2(5) ?
B5 B11 B6 58.7(5) ?
C7 B11 B10 104.5(6) ?
B5 B11 B10 57.6(5) ?
B6 B11 B10 106.0(6) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Au P2 2.296(2) y
Au P1 2.306(2) y
Au Cl2 2.326(2) y
Au Cl1 2.335(2) y
P1 C21 1.793(7) y
P1 C11 1.801(7) y
P1 C8 1.821(7) y
P2 C31 1.794(7) y
P2 C41 1.797(8) y
P2 C7 1.815(7) y
C11 C16 1.377(9) ?
C11 C12 1.393(9) ?
C12 C13 1.376(9) ?
C13 C14 1.382(10) ?
C14 C15 1.385(10) ?
C15 C16 1.381(9) ?
C21 C22 1.377(9) ?
C21 C26 1.404(9) ?
C22 C23 1.394(8) ?
C23 C24 1.370(9) ?
C24 C25 1.366(10) ?
C25 C26 1.385(9) ?
C31 C32 1.387(9) ?
C31 C36 1.405(9) ?
C32 C33 1.368(9) ?
C33 C34 1.372(10) ?
C34 C35 1.386(10) ?
C35 C36 1.355(8) ?
C41 C46 1.385(9) ?
C41 C42 1.395(9) ?
C42 C43 1.377(9) ?
C43 C44 1.375(10) ?
C44 C45 1.373(9) ?
C45 C46 1.381(9) ?
C99 Cl4 1.740(8) ?
C99 Cl5 1.749(8) ?
C99 Cl3 1.761(9) ?
B1 B6 1.744(13) ?
B1 B3 1.769(12) ?
B1 B4 1.777(12) ?
B1 B5 1.777(13) ?
B1 B2 1.788(12) ?
B2 C7 1.739(11) ?
B2 C8 1.745(10) ?
B2 B3 1.773(12) ?
B2 B6 1.789(12) ?
B3 C8 1.740(10) ?
B3 B4 1.749(12) ?
B3 B9 1.789(12) ?
B4 B10 1.736(13) ?
B4 B9 1.781(12) ?
B4 B5 1.786(13) ?
B5 B6 1.761(12) ?
B5 B10 1.765(13) ?
B5 B11 1.778(12) ?
B6 C7 1.741(10) ?
B6 B11 1.814(13) ?
C7 C8 1.575(9) y
C7 B11 1.642(11) y
C8 B9 1.614(11) y
B9 B10 1.824(12) y
B10 B11 1.878(13) y