#------------------------------------------------------------------------------
#$Date: 2022-04-09 01:03:27 +0200 (Sat 09 de Apr de 2022) $
#$Revision: 274441 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/99/7709953.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_7709953
loop_
_publ_author_name
'Schulz, Jiří'
'Císařová, Ivana'
'Gyepes, Róbert'
'Štěpnička, Petr'
_publ_section_title
;
 Metallation of a gold(I) metalloligand with P,C-bridging
 phosphinoferrocenyl groups enables the construction of defined
 multimetallic arrays.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d2dt00850e
_journal_year                    2022
_chemical_formula_moiety
;
C88 H72 Au6 Fe4 P4, 2(Cl O4), C2 H3 N, 4(C H2 Cl2)
;
_chemical_formula_sum            'C94 H83 Au6 Cl10 Fe4 N O8 P4'
_chemical_formula_weight         3238.19
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-11-27 deposited with the CCDC.	2022-03-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.291(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2872(7)
_cell_length_b                   22.7547(13)
_cell_length_c                   33.741(2)
_cell_measurement_reflns_used    9213
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.55
_cell_volume                     10140.0(10)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.6'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'PLATON (Spek, 2016)'
_computing_publication_material  'PLATON (Spek, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo PHOTON 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
_diffrn_radiation_source         'I\mS micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0589
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            181788
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.537
_diffrn_reflns_theta_min         1.828
_exptl_absorpt_coefficient_mu    9.578
_exptl_absorpt_correction_T_max  0.46
_exptl_absorpt_correction_T_min  0.10
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    2.121
_exptl_crystal_description       prism
_exptl_crystal_F_000             6104
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.645
_refine_diff_density_min         -1.947
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1009
_refine_ls_number_reflns         23310
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0287P)²+36.0270P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0694
_refine_ls_wR_factor_ref         0.0745
_reflns_Friedel_coverage         0.000
_reflns_number_gt                19479
_reflns_number_total             23310
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00850e3.cif
_cod_data_source_block           mo_js436_sq
_cod_original_cell_volume        10139.9(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7709953
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.155
_shelx_estimated_absorpt_t_max   0.448
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.40576(2) 0.29376(2) 0.64413(2) 0.02966(5) Uani 1 1 d . . . . .
Au2 Au 0.40491(2) 0.31274(2) 0.56328(2) 0.02737(5) Uani 1 1 d . . . . .
Au3 Au 0.43713(2) 0.31079(2) 0.48365(2) 0.02546(4) Uani 1 1 d . . . . .
Au4 Au 0.59444(2) 0.21094(2) 0.65364(2) 0.02699(5) Uani 1 1 d . . . . .
Au5 Au 0.59872(2) 0.19174(2) 0.57293(2) 0.02797(5) Uani 1 1 d . . . . .
Au6 Au 0.56939(2) 0.19160(2) 0.49057(2) 0.02576(4) Uani 1 1 d . . . . .
Fe1 Fe 0.55302(6) 0.38883(3) 0.66747(2) 0.02944(15) Uani 1 1 d . . . . .
P1 P 0.68774(10) 0.27035(6) 0.69850(3) 0.0283(3) Uani 1 1 d . . . . .
C1 C 0.4798(4) 0.3595(2) 0.61187(13) 0.0286(10) Uani 1 1 d . . . . .
C2 C 0.5887(4) 0.3621(2) 0.61283(12) 0.0309(11) Uani 1 1 d . . . . .
H2 H 0.6312 0.3295 0.6089 0.037 Uiso 1 1 calc R U . . .
C3 C 0.6223(5) 0.4198(3) 0.62033(15) 0.0449(14) Uani 1 1 d . . . . .
H3 H 0.6903 0.4331 0.6215 0.054 Uiso 1 1 calc R U . . .
C4 C 0.5355(5) 0.4553(2) 0.62596(15) 0.0470(15) Uani 1 1 d . . . . .
H4 H 0.5359 0.4962 0.6317 0.056 Uiso 1 1 calc R U . . .
C5 C 0.4495(4) 0.4186(2) 0.62145(14) 0.0344(11) Uani 1 1 d . . . . .
H5 H 0.3822 0.4307 0.6242 0.041 Uiso 1 1 calc R U . . .
C6 C 0.6282(4) 0.3382(2) 0.71075(13) 0.0312(11) Uani 1 1 d . . . . .
C7 C 0.6703(4) 0.3962(2) 0.71109(14) 0.0363(12) Uani 1 1 d . . . . .
H7 H 0.7380 0.4060 0.7071 0.044 Uiso 1 1 calc R U . . .
C8 C 0.5927(5) 0.4364(3) 0.71837(14) 0.0424(14) Uani 1 1 d . . . . .
H8 H 0.5999 0.4779 0.7201 0.051 Uiso 1 1 calc R U . . .
C9 C 0.5031(5) 0.4047(3) 0.72260(14) 0.0424(14) Uani 1 1 d . . . . .
H9 H 0.4396 0.4211 0.7271 0.051 Uiso 1 1 calc R U . . .
C10 C 0.5247(4) 0.3437(3) 0.71898(13) 0.0370(12) Uani 1 1 d . . . . .
H10 H 0.4788 0.3122 0.7215 0.044 Uiso 1 1 calc R U . . .
C11 C 0.7147(4) 0.2335(2) 0.74633(14) 0.0350(11) Uani 1 1 d . . . . .
C12 C 0.6926(6) 0.2578(3) 0.78130(16) 0.0581(18) Uani 1 1 d . . . . .
H12 H 0.6639 0.2960 0.7816 0.070 Uiso 1 1 calc R U . . .
C13 C 0.7125(7) 0.2260(4) 0.8167(2) 0.076(2) Uani 1 1 d . . . . .
H13 H 0.6959 0.2428 0.8409 0.091 Uiso 1 1 calc R U . . .
C14 C 0.7535(5) 0.1736(4) 0.8173(2) 0.071(2) Uani 1 1 d . . . . .
H14 H 0.7663 0.1532 0.8419 0.085 Uiso 1 1 calc R U . . .
C15 C 0.7781(7) 0.1478(4) 0.7826(2) 0.084(3) Uani 1 1 d . . . . .
H15 H 0.8093 0.1102 0.7832 0.101 Uiso 1 1 calc R U . . .
C16 C 0.7567(6) 0.1776(3) 0.7471(2) 0.070(2) Uani 1 1 d . . . . .
H16 H 0.7709 0.1597 0.7229 0.083 Uiso 1 1 calc R U . . .
C17 C 0.8100(4) 0.2941(2) 0.68503(15) 0.0347(11) Uani 1 1 d . . . . .
C18 C 0.8300(4) 0.2941(3) 0.64524(15) 0.0400(13) Uani 1 1 d . . . . .
H18 H 0.7815 0.2789 0.6251 0.048 Uiso 1 1 calc R U . . .
C19 C 0.9206(5) 0.3164(3) 0.63540(19) 0.0536(16) Uani 1 1 d . . . . .
H19 H 0.9339 0.3166 0.6083 0.064 Uiso 1 1 calc R U . . .
C20 C 0.9922(5) 0.3384(3) 0.6642(2) 0.0615(18) Uani 1 1 d . . . . .
H20 H 1.0535 0.3548 0.6571 0.074 Uiso 1 1 calc R U . . .
C21 C 0.9732(5) 0.3361(4) 0.7039(2) 0.071(2) Uani 1 1 d . . . . .
H21 H 1.0228 0.3499 0.7242 0.085 Uiso 1 1 calc R U . . .
C22 C 0.8839(5) 0.3141(3) 0.71393(18) 0.0560(18) Uani 1 1 d . . . . .
H22 H 0.8723 0.3124 0.7412 0.067 Uiso 1 1 calc R U . . .
Fe2 Fe 0.26915(5) 0.22917(3) 0.45960(2) 0.02790(14) Uani 1 1 d . . . . .
P2 P 0.46308(10) 0.13933(5) 0.44551(3) 0.0272(3) Uani 1 1 d . . . . .
C31 C 0.3201(4) 0.2714(2) 0.51400(13) 0.0282(10) Uani 1 1 d . . . . .
C32 C 0.2206(4) 0.2924(2) 0.49798(14) 0.0340(11) Uani 1 1 d . . . . .
H32 H 0.2036 0.3320 0.4913 0.041 Uiso 1 1 calc R U . . .
C33 C 0.1532(4) 0.2442(3) 0.49398(15) 0.0383(12) Uani 1 1 d . . . . .
H33 H 0.0833 0.2459 0.4844 0.046 Uiso 1 1 calc R U . . .
C34 C 0.2086(4) 0.1923(3) 0.50693(15) 0.0386(12) Uani 1 1 d . . . . .
H34 H 0.1819 0.1537 0.5078 0.046 Uiso 1 1 calc R U . . .
C35 C 0.3102(4) 0.2090(2) 0.51813(13) 0.0295(10) Uani 1 1 d . . . . .
H35 H 0.3637 0.1829 0.5270 0.035 Uiso 1 1 calc R U . . .
C36 C 0.3523(4) 0.1782(2) 0.42524(13) 0.0295(10) Uani 1 1 d . . . . .
C37 C 0.3519(4) 0.2379(2) 0.41092(12) 0.0299(10) Uani 1 1 d . . . . .
H37 H 0.4099 0.2617 0.4090 0.036 Uiso 1 1 calc R U . . .
C38 C 0.2490(4) 0.2549(2) 0.40019(14) 0.0361(12) Uani 1 1 d . . . . .
H38 H 0.2268 0.2923 0.3902 0.043 Uiso 1 1 calc R U . . .
C39 C 0.1857(4) 0.2067(3) 0.40692(14) 0.0379(12) Uani 1 1 d . . . . .
H39 H 0.1139 0.2059 0.4022 0.045 Uiso 1 1 calc R U . . .
C40 C 0.2490(4) 0.1596(2) 0.42208(14) 0.0337(11) Uani 1 1 d . . . . .
H40 H 0.2262 0.1218 0.4290 0.040 Uiso 1 1 calc R U . . .
C41 C 0.5255(4) 0.1213(2) 0.40148(13) 0.0306(11) Uani 1 1 d . . . . .
C42 C 0.4727(5) 0.1239(2) 0.36325(14) 0.0404(13) Uani 1 1 d . . . . .
H42 H 0.4028 0.1337 0.3600 0.048 Uiso 1 1 calc R U . . .
C43 C 0.5228(5) 0.1119(3) 0.33022(16) 0.0532(16) Uani 1 1 d . . . . .
H43 H 0.4877 0.1148 0.3042 0.064 Uiso 1 1 calc R U . . .
C44 C 0.6244(6) 0.0958(3) 0.33514(17) 0.0516(17) Uani 1 1 d . . . . .
H44 H 0.6583 0.0871 0.3125 0.062 Uiso 1 1 calc R U . . .
C45 C 0.6760(5) 0.0924(3) 0.37267(18) 0.0449(14) Uani 1 1 d . . . . .
H45 H 0.7452 0.0811 0.3759 0.054 Uiso 1 1 calc R U . . .
C46 C 0.6268(4) 0.1056(2) 0.40614(15) 0.0344(11) Uani 1 1 d . . . . .
H46 H 0.6628 0.1037 0.4320 0.041 Uiso 1 1 calc R U . . .
C47 C 0.4122(4) 0.0714(2) 0.46290(14) 0.0318(11) Uani 1 1 d . . . . .
C48 C 0.4106(4) 0.0610(2) 0.50373(14) 0.0355(12) Uani 1 1 d . . . . .
H48 H 0.4428 0.0878 0.5227 0.043 Uiso 1 1 calc R U . . .
C49 C 0.3623(5) 0.0122(2) 0.51639(17) 0.0460(14) Uani 1 1 d . . . . .
H49 H 0.3602 0.0060 0.5441 0.055 Uiso 1 1 calc R U . . .
C50 C 0.3169(5) -0.0279(3) 0.48953(18) 0.0500(15) Uani 1 1 d . . . . .
H50 H 0.2840 -0.0615 0.4987 0.060 Uiso 1 1 calc R U . . .
C51 C 0.3197(5) -0.0190(3) 0.44940(18) 0.0500(15) Uani 1 1 d . . . . .
H51 H 0.2891 -0.0468 0.4308 0.060 Uiso 1 1 calc R U . . .
C52 C 0.3669(4) 0.0305(2) 0.43568(15) 0.0397(13) Uani 1 1 d . . . . .
H52 H 0.3682 0.0365 0.4079 0.048 Uiso 1 1 calc R U . . .
Fe3 Fe 0.44647(6) 0.11542(3) 0.66314(2) 0.03648(17) Uani 1 1 d . . . . .
P3 P 0.30983(11) 0.23502(7) 0.68030(4) 0.0357(3) Uani 1 1 d . . . . .
C61 C 0.5219(4) 0.1446(2) 0.61466(13) 0.0318(11) Uani 1 1 d . . . . .
C62 C 0.4137(4) 0.1426(3) 0.60526(13) 0.0384(13) Uani 1 1 d . . . . .
H62 H 0.3716 0.1752 0.5974 0.046 Uiso 1 1 calc R U . . .
C63 C 0.3797(5) 0.0838(3) 0.60962(16) 0.0532(17) Uani 1 1 d . . . . .
H63 H 0.3120 0.0701 0.6044 0.064 Uiso 1 1 calc R U . . .
C64 C 0.4656(6) 0.0496(3) 0.62316(17) 0.0555(19) Uani 1 1 d . . . . .
H64 H 0.4650 0.0086 0.6287 0.067 Uiso 1 1 calc R U . . .
C65 C 0.5520(5) 0.0859(2) 0.62718(15) 0.0410(13) Uani 1 1 d . . . . .
H65 H 0.6188 0.0737 0.6366 0.049 Uiso 1 1 calc R U . . .
C66 C 0.3672(4) 0.1668(2) 0.69805(14) 0.0363(12) Uani 1 1 d . . . . .
C67 C 0.3246(5) 0.1082(3) 0.69414(16) 0.0467(15) Uani 1 1 d . . . . .
H67 H 0.2579 0.0984 0.6830 0.056 Uiso 1 1 calc R U . . .
C68 C 0.4002(5) 0.0681(3) 0.70982(16) 0.0498(16) Uani 1 1 d . . . . .
H68 H 0.3927 0.0266 0.7111 0.060 Uiso 1 1 calc R U . . .
C69 C 0.4891(5) 0.1001(3) 0.72332(14) 0.0461(15) Uani 1 1 d . . . . .
H69 H 0.5515 0.0837 0.7346 0.055 Uiso 1 1 calc R U . . .
C70 C 0.4684(4) 0.1608(3) 0.71713(14) 0.0374(12) Uani 1 1 d . . . . .
H70 H 0.5140 0.1921 0.7244 0.045 Uiso 1 1 calc R U . . .
C71 C 0.2824(4) 0.2725(3) 0.72557(15) 0.0429(14) Uani 1 1 d . . . . .
C72 C 0.2563(5) 0.3315(3) 0.72364(19) 0.0524(16) Uani 1 1 d . . . . .
H72 H 0.2525 0.3516 0.6988 0.063 Uiso 1 1 calc R U . . .
C73 C 0.2360(5) 0.3609(4) 0.7570(2) 0.069(2) Uani 1 1 d . . . . .
H73 H 0.2185 0.4014 0.7556 0.082 Uiso 1 1 calc R U . . .
C74 C 0.2410(6) 0.3314(5) 0.7931(2) 0.081(3) Uani 1 1 d . . . . .
H74 H 0.2262 0.3519 0.8163 0.097 Uiso 1 1 calc R U . . .
C75 C 0.2662(7) 0.2749(5) 0.7958(2) 0.089(3) Uani 1 1 d . . . . .
H75 H 0.2701 0.2557 0.8209 0.106 Uiso 1 1 calc R U . . .
C76 C 0.2870(6) 0.2434(4) 0.76201(17) 0.0620(19) Uani 1 1 d . . . . .
H76 H 0.3039 0.2028 0.7639 0.074 Uiso 1 1 calc R U . . .
C77 C 0.1876(4) 0.2142(3) 0.65527(16) 0.0435(14) Uani 1 1 d . . . . .
C78 C 0.1118(5) 0.1920(3) 0.67749(19) 0.0552(17) Uani 1 1 d . . . . .
H78 H 0.1246 0.1886 0.7057 0.066 Uiso 1 1 calc R U . . .
C79 C 0.0199(5) 0.1752(4) 0.6584(2) 0.065(2) Uani 1 1 d . . . . .
H79 H -0.0310 0.1604 0.6734 0.079 Uiso 1 1 calc R U . . .
C80 C 0.0009(6) 0.1799(4) 0.6170(2) 0.069(2) Uani 1 1 d . . . . .
H80 H -0.0629 0.1682 0.6040 0.083 Uiso 1 1 calc R U . . .
C81 C 0.0742(5) 0.2013(3) 0.59495(19) 0.0579(18) Uani 1 1 d . . . . .
H81 H 0.0612 0.2035 0.5667 0.070 Uiso 1 1 calc R U . . .
C82 C 0.1675(5) 0.2200(3) 0.61385(16) 0.0476(15) Uani 1 1 d . . . . .
H82 H 0.2169 0.2364 0.5987 0.057 Uiso 1 1 calc R U . . .
Fe4 Fe 0.73666(5) 0.27400(3) 0.48112(2) 0.02668(14) Uani 1 1 d . . . . .
P4 P 0.54444(10) 0.36258(5) 0.44813(3) 0.0256(2) Uani 1 1 d . . . . .
C91 C 0.6842(4) 0.2330(2) 0.53154(13) 0.0280(10) Uani 1 1 d . . . . .
C92 C 0.7856(4) 0.2133(2) 0.52534(14) 0.0328(11) Uani 1 1 d . . . . .
H92 H 0.8048 0.1738 0.5210 0.039 Uiso 1 1 calc R U . . .
C93 C 0.8504(4) 0.2623(3) 0.52687(15) 0.0381(12) Uani 1 1 d . . . . .
H93 H 0.9207 0.2614 0.5240 0.046 Uiso 1 1 calc R U . . .
C94 C 0.7925(4) 0.3140(2) 0.53355(15) 0.0377(12) Uani 1 1 d . . . . .
H94 H 0.8175 0.3531 0.5363 0.045 Uiso 1 1 calc R U . . .
C95 C 0.6914(4) 0.2959(2) 0.53521(13) 0.0289(10) Uani 1 1 d . . . . .
H95 H 0.6363 0.3215 0.5383 0.035 Uiso 1 1 calc R U . . .
C96 C 0.6553(4) 0.3224(2) 0.43810(13) 0.0287(10) Uani 1 1 d . . . . .
C97 C 0.6551(4) 0.2621(2) 0.42527(12) 0.0292(10) Uani 1 1 d . . . . .
H97 H 0.5963 0.2388 0.4187 0.035 Uiso 1 1 calc R U . . .
C98 C 0.7549(4) 0.2433(2) 0.42406(13) 0.0350(12) Uani 1 1 d . . . . .
H98 H 0.7756 0.2051 0.4171 0.042 Uiso 1 1 calc R U . . .
C99 C 0.8206(4) 0.2923(2) 0.43522(15) 0.0372(12) Uani 1 1 d . . . . .
H99 H 0.8925 0.2922 0.4369 0.045 Uiso 1 1 calc R U . . .
C100 C 0.7585(4) 0.3409(2) 0.44327(14) 0.0331(11) Uani 1 1 d . . . . .
H100 H 0.7818 0.3792 0.4508 0.040 Uiso 1 1 calc R U . . .
C101 C 0.4826(4) 0.3801(2) 0.39870(13) 0.0295(10) Uani 1 1 d . . . . .
C102 C 0.3794(4) 0.3892(2) 0.39305(15) 0.0364(12) Uani 1 1 d . . . . .
H102 H 0.3413 0.3884 0.4153 0.044 Uiso 1 1 calc R U . . .
C103 C 0.3304(5) 0.3998(2) 0.35495(18) 0.0462(14) Uani 1 1 d . . . . .
H103 H 0.2593 0.4062 0.3511 0.055 Uiso 1 1 calc R U . . .
C104 C 0.3875(5) 0.4006(3) 0.32248(16) 0.0497(16) Uani 1 1 d . . . . .
H104 H 0.3548 0.4069 0.2964 0.060 Uiso 1 1 calc R U . . .
C105 C 0.4898(5) 0.3923(3) 0.32798(16) 0.0518(16) Uani 1 1 d . . . . .
H105 H 0.5278 0.3932 0.3057 0.062 Uiso 1 1 calc R U . . .
C106 C 0.5388(4) 0.3825(2) 0.36593(14) 0.0374(12) Uani 1 1 d . . . . .
H106 H 0.6101 0.3775 0.3697 0.045 Uiso 1 1 calc R U . . .
C107 C 0.5948(4) 0.4307(2) 0.47028(13) 0.0271(10) Uani 1 1 d . . . . .
C108 C 0.6416(4) 0.4713(2) 0.44685(15) 0.0336(11) Uani 1 1 d . . . . .
H108 H 0.6437 0.4642 0.4192 0.040 Uiso 1 1 calc R U . . .
C109 C 0.6849(4) 0.5222(2) 0.46428(17) 0.0414(13) Uani 1 1 d . . . . .
H109 H 0.7161 0.5501 0.4486 0.050 Uiso 1 1 calc R U . . .
C110 C 0.6821(5) 0.5319(2) 0.50505(17) 0.0448(14) Uani 1 1 d . . . . .
H110 H 0.7126 0.5661 0.5173 0.054 Uiso 1 1 calc R U . . .
C111 C 0.6348(5) 0.4917(2) 0.52753(15) 0.0415(13) Uani 1 1 d . . . . .
H111 H 0.6327 0.4985 0.5552 0.050 Uiso 1 1 calc R U . . .
C112 C 0.5911(4) 0.4423(2) 0.51040(14) 0.0305(10) Uani 1 1 d . . . . .
H112 H 0.5579 0.4155 0.5262 0.037 Uiso 1 1 calc R U . . .
Cl1 Cl 0.21810(16) 0.49508(9) 0.66700(8) 0.0806(6) Uani 1 1 d . . . . .
O1 O 0.2253(9) 0.5340(4) 0.6357(3) 0.163(4) Uani 1 1 d . . . . .
O2 O 0.2101(6) 0.4376(3) 0.6509(3) 0.143(3) Uani 1 1 d . . . . .
O3 O 0.1356(6) 0.5093(4) 0.6850(3) 0.172(4) Uani 1 1 d . . . . .
O4 O 0.3069(7) 0.5025(5) 0.6936(4) 0.186(5) Uani 1 1 d . . . . .
Cl2 Cl 0.95944(11) 0.12419(8) 0.45752(5) 0.0556(4) Uani 1 1 d . . . . .
O5 O 1.0413(4) 0.0863(2) 0.4520(2) 0.0855(18) Uani 1 1 d . . . . .
O6 O 0.9724(4) 0.1461(3) 0.49775(17) 0.093(2) Uani 1 1 d . . . . .
O7 O 0.8654(4) 0.0951(3) 0.4505(2) 0.093(2) Uani 1 1 d . . . . .
O8 O 0.9617(4) 0.1753(3) 0.4327(2) 0.101(2) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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
C1 Au1 P3 171.20(14) . . ?
C1 Au1 Au2 48.97(12) . . ?
P3 Au1 Au2 132.52(3) . . ?
C1 Au1 Fe1 45.72(12) . . ?
P3 Au1 Fe1 132.38(4) . . ?
Au2 Au1 Fe1 94.557(14) . . ?
C1 Au1 Au4 93.72(13) . . ?
P3 Au1 Au4 94.61(4) . . ?
Au2 Au1 Au4 96.440(7) . . ?
Fe1 Au1 Au4 85.070(16) . . ?
C1 Au2 C31 175.16(19) . . ?
C1 Au2 Au1 50.23(13) . . ?
C31 Au2 Au1 130.44(13) . . ?
C1 Au2 Au3 130.76(13) . . ?
C31 Au2 Au3 50.05(13) . . ?
Au1 Au2 Au3 166.573(10) . . ?
C31 Au3 P4 171.72(14) . . ?
C31 Au3 Au2 49.23(11) . . ?
P4 Au3 Au2 132.23(3) . . ?
C31 Au3 Fe2 45.82(11) . . ?
P4 Au3 Fe2 132.60(3) . . ?
Au2 Au3 Fe2 94.842(14) . . ?
C31 Au3 Au6 91.82(13) . . ?
P4 Au3 Au6 96.04(3) . . ?
Au2 Au3 Au6 94.835(7) . . ?
Fe2 Au3 Au6 83.127(15) . . ?
C61 Au4 P1 171.40(15) . . ?
C61 Au4 Au5 49.12(12) . . ?
P1 Au4 Au5 132.56(3) . . ?
C61 Au4 Fe3 45.38(12) . . ?
P1 Au4 Fe3 132.61(3) . . ?
Au5 Au4 Fe3 94.356(15) . . ?
C61 Au4 Au1 93.42(14) . . ?
P1 Au4 Au1 94.70(3) . . ?
Au5 Au4 Au1 95.569(7) . . ?
Fe3 Au4 Au1 85.373(18) . . ?
C91 Au5 C61 175.2(2) . . ?
C91 Au5 Au6 50.45(12) . . ?
C61 Au5 Au6 129.97(13) . . ?
C91 Au5 Au4 130.60(13) . . ?
C61 Au5 Au4 50.38(13) . . ?
Au6 Au5 Au4 167.107(10) . . ?
C91 Au6 P2 172.76(14) . . ?
C91 Au6 Au5 49.02(12) . . ?
P2 Au6 Au5 132.57(3) . . ?
C91 Au6 Fe4 45.92(12) . . ?
P2 Au6 Fe4 132.44(3) . . ?
Au5 Au6 Fe4 94.764(14) . . ?
C91 Au6 Au3 91.17(13) . . ?
P2 Au6 Au3 95.57(3) . . ?
Au5 Au6 Au3 95.018(7) . . ?
Fe4 Au6 Au3 82.463(15) . . ?
C7 Fe1 C6 41.3(2) . . ?
C7 Fe1 C2 116.3(2) . . ?
C6 Fe1 C2 109.5(2) . . ?
C7 Fe1 C3 99.2(2) . . ?
C6 Fe1 C3 121.7(2) . . ?
C2 Fe1 C3 40.1(2) . . ?
C7 Fe1 C8 40.7(2) . . ?
C6 Fe1 C8 68.7(2) . . ?
C2 Fe1 C8 148.0(2) . . ?
C3 Fe1 C8 111.9(2) . . ?
C7 Fe1 C4 117.0(2) . . ?
C6 Fe1 C4 156.2(2) . . ?
C2 Fe1 C4 68.0(2) . . ?
C3 Fe1 C4 41.0(3) . . ?
C8 Fe1 C4 100.5(2) . . ?
C7 Fe1 C5 155.6(2) . . ?
C6 Fe1 C5 163.0(2) . . ?
C2 Fe1 C5 67.8(2) . . ?
C3 Fe1 C5 67.9(2) . . ?
C8 Fe1 C5 123.0(2) . . ?
C4 Fe1 C5 39.9(2) . . ?
C7 Fe1 C9 68.3(2) . . ?
C6 Fe1 C9 68.6(2) . . ?
C2 Fe1 C9 171.3(2) . . ?
C3 Fe1 C9 148.4(2) . . ?
C8 Fe1 C9 40.1(2) . . ?
C4 Fe1 C9 117.3(2) . . ?
C5 Fe1 C9 111.3(2) . . ?
C7 Fe1 C10 68.4(2) . . ?
C6 Fe1 C10 40.8(2) . . ?
C2 Fe1 C10 133.2(2) . . ?
C3 Fe1 C10 162.4(2) . . ?
C8 Fe1 C10 67.4(2) . . ?
C4 Fe1 C10 155.7(2) . . ?
C5 Fe1 C10 128.2(2) . . ?
C9 Fe1 C10 40.1(2) . . ?
C7 Fe1 C1 155.1(2) . . ?
C6 Fe1 C1 126.69(19) . . ?
C2 Fe1 C1 40.48(19) . . ?
C3 Fe1 C1 67.9(2) . . ?
C8 Fe1 C1 163.1(2) . . ?
C4 Fe1 C1 67.9(2) . . ?
C5 Fe1 C1 40.43(18) . . ?
C9 Fe1 C1 133.3(2) . . ?
C10 Fe1 C1 118.2(2) . . ?
C7 Fe1 Au1 133.21(15) . . ?
C6 Fe1 Au1 92.06(15) . . ?
C2 Fe1 Au1 75.80(14) . . ?
C3 Fe1 Au1 112.62(16) . . ?
C8 Fe1 Au1 135.22(18) . . ?
C4 Fe1 Au1 109.46(17) . . ?
C5 Fe1 Au1 71.00(15) . . ?
C9 Fe1 Au1 95.66(18) . . ?
C10 Fe1 Au1 71.82(15) . . ?
C1 Fe1 Au1 46.43(13) . . ?
C6 P1 C17 103.2(3) . . ?
C6 P1 C11 103.9(2) . . ?
C17 P1 C11 105.3(2) . . ?
C6 P1 Au4 115.97(16) . . ?
C17 P1 Au4 116.38(17) . . ?
C11 P1 Au4 110.76(18) . . ?
C2 C1 C5 105.0(4) . . ?
C2 C1 Au2 115.1(3) . . ?
C5 C1 Au2 121.4(3) . . ?
C2 C1 Fe1 66.8(2) . . ?
C5 C1 Fe1 67.9(3) . . ?
Au2 C1 Fe1 167.5(3) . . ?
C2 C1 Au1 122.0(3) . . ?
C5 C1 Au1 112.2(3) . . ?
Au2 C1 Au1 80.80(17) . . ?
Fe1 C1 Au1 87.85(16) . . ?
C3 C2 C1 110.0(5) . . ?
C3 C2 Fe1 70.1(3) . . ?
C1 C2 Fe1 72.7(3) . . ?
C3 C2 H2 125.0 . . ?
C1 C2 H2 125.0 . . ?
Fe1 C2 H2 123.8 . . ?
C2 C3 C4 107.8(5) . . ?
C2 C3 Fe1 69.9(3) . . ?
C4 C3 Fe1 69.8(3) . . ?
C2 C3 H3 126.1 . . ?
C4 C3 H3 126.1 . . ?
Fe1 C3 H3 125.8 . . ?
C5 C4 C3 107.8(5) . . ?
C5 C4 Fe1 70.6(3) . . ?
C3 C4 Fe1 69.2(3) . . ?
C5 C4 H4 126.1 . . ?
C3 C4 H4 126.1 . . ?
Fe1 C4 H4 125.7 . . ?
C4 C5 C1 109.4(5) . . ?
C4 C5 Fe1 69.4(3) . . ?
C1 C5 Fe1 71.7(3) . . ?
C4 C5 H5 125.3 . . ?
C1 C5 H5 125.3 . . ?
Fe1 C5 H5 125.1 . . ?
C7 C6 C10 107.5(5) . . ?
C7 C6 P1 127.6(4) . . ?
C10 C6 P1 124.8(4) . . ?
C7 C6 Fe1 69.2(3) . . ?
C10 C6 Fe1 71.6(3) . . ?
P1 C6 Fe1 120.9(2) . . ?
C8 C7 C6 107.8(5) . . ?
C8 C7 Fe1 70.4(3) . . ?
C6 C7 Fe1 69.5(3) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Fe1 C7 H7 125.5 . . ?
C9 C8 C7 108.9(5) . . ?
C9 C8 Fe1 70.9(3) . . ?
C7 C8 Fe1 68.9(3) . . ?
C9 C8 H8 125.6 . . ?
C7 C8 H8 125.6 . . ?
Fe1 C8 H8 126.3 . . ?
C8 C9 C10 108.0(5) . . ?
C8 C9 Fe1 69.0(3) . . ?
C10 C9 Fe1 70.5(3) . . ?
C8 C9 H9 126.0 . . ?
C10 C9 H9 126.0 . . ?
Fe1 C9 H9 126.0 . . ?
C9 C10 C6 107.8(5) . . ?
C9 C10 Fe1 69.4(3) . . ?
C6 C10 Fe1 67.5(3) . . ?
C9 C10 H10 126.1 . . ?
C6 C10 H10 126.1 . . ?
Fe1 C10 H10 128.5 . . ?
C12 C11 C16 118.6(5) . . ?
C12 C11 P1 122.8(5) . . ?
C16 C11 P1 118.6(4) . . ?
C11 C12 C13 119.5(7) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C14 C13 C12 121.7(7) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 120.7(6) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C16 C15 C14 118.8(8) . . ?
C16 C15 H15 120.6 . . ?
C14 C15 H15 120.6 . . ?
C15 C16 C11 120.8(7) . . ?
C15 C16 H16 119.6 . . ?
C11 C16 H16 119.6 . . ?
C22 C17 C18 118.8(5) . . ?
C22 C17 P1 120.5(4) . . ?
C18 C17 P1 120.7(4) . . ?
C19 C18 C17 119.7(5) . . ?
C19 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 C18 121.1(6) . . ?
C20 C19 H19 119.5 . . ?
C18 C19 H19 119.5 . . ?
C19 C20 C21 118.8(6) . . ?
C19 C20 H20 120.6 . . ?
C21 C20 H20 120.6 . . ?
C22 C21 C20 120.5(6) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C17 121.0(6) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
C40 Fe2 C35 115.6(2) . . ?
C40 Fe2 C34 97.6(2) . . ?
C35 Fe2 C34 40.4(2) . . ?
C40 Fe2 C36 41.1(2) . . ?
C35 Fe2 C36 108.5(2) . . ?
C34 Fe2 C36 119.5(2) . . ?
C40 Fe2 C39 40.8(2) . . ?
C35 Fe2 C39 147.4(2) . . ?
C34 Fe2 C39 110.6(2) . . ?
C36 Fe2 C39 69.0(2) . . ?
C40 Fe2 C33 115.2(2) . . ?
C35 Fe2 C33 68.2(2) . . ?
C34 Fe2 C33 40.9(2) . . ?
C36 Fe2 C33 153.9(2) . . ?
C39 Fe2 C33 99.4(2) . . ?
C40 Fe2 C38 67.9(2) . . ?
C35 Fe2 C38 171.4(2) . . ?
C34 Fe2 C38 148.1(2) . . ?
C36 Fe2 C38 68.5(2) . . ?
C39 Fe2 C38 40.1(2) . . ?
C33 Fe2 C38 118.2(2) . . ?
C40 Fe2 C37 68.1(2) . . ?
C35 Fe2 C37 132.5(2) . . ?
C34 Fe2 C37 160.3(2) . . ?
C36 Fe2 C37 40.83(18) . . ?
C39 Fe2 C37 67.9(2) . . ?
C33 Fe2 C37 157.2(2) . . ?
C38 Fe2 C37 40.2(2) . . ?
C40 Fe2 C32 154.0(2) . . ?
C35 Fe2 C32 67.8(2) . . ?
C34 Fe2 C32 67.8(2) . . ?
C36 Fe2 C32 165.0(2) . . ?
C39 Fe2 C32 122.3(2) . . ?
C33 Fe2 C32 39.9(2) . . ?
C38 Fe2 C32 112.9(2) . . ?
C37 Fe2 C32 130.5(2) . . ?
C40 Fe2 C31 154.8(2) . . ?
C35 Fe2 C31 40.27(19) . . ?
C34 Fe2 C31 67.9(2) . . ?
C36 Fe2 C31 127.40(19) . . ?
C39 Fe2 C31 162.7(2) . . ?
C33 Fe2 C31 67.9(2) . . ?
C38 Fe2 C31 134.8(2) . . ?
C37 Fe2 C31 119.62(19) . . ?
C32 Fe2 C31 40.47(19) . . ?
C40 Fe2 Au3 135.09(15) . . ?
C35 Fe2 Au3 76.19(14) . . ?
C34 Fe2 Au3 113.20(15) . . ?
C36 Fe2 Au3 94.22(14) . . ?
C39 Fe2 Au3 135.70(16) . . ?
C33 Fe2 Au3 109.35(16) . . ?
C38 Fe2 Au3 95.82(15) . . ?
C37 Fe2 Au3 73.02(13) . . ?
C32 Fe2 Au3 70.77(15) . . ?
C31 Fe2 Au3 46.74(13) . . ?
C36 P2 C47 103.0(2) . . ?
C36 P2 C41 103.2(2) . . ?
C47 P2 C41 106.9(2) . . ?
C36 P2 Au6 114.76(16) . . ?
C47 P2 Au6 116.94(16) . . ?
C41 P2 Au6 110.75(17) . . ?
C35 C31 C32 105.8(4) . . ?
C35 C31 Fe2 67.1(2) . . ?
C32 C31 Fe2 68.6(3) . . ?
C35 C31 Au2 114.2(3) . . ?
C32 C31 Au2 121.9(3) . . ?
Fe2 C31 Au2 166.5(3) . . ?
C35 C31 Au3 122.6(3) . . ?
C32 C31 Au3 111.2(3) . . ?
Fe2 C31 Au3 87.44(16) . . ?
Au2 C31 Au3 80.72(17) . . ?
C33 C32 C31 108.7(5) . . ?
C33 C32 Fe2 68.9(3) . . ?
C31 C32 Fe2 70.9(3) . . ?
C33 C32 H32 125.6 . . ?
C31 C32 H32 125.6 . . ?
Fe2 C32 H32 126.1 . . ?
C32 C33 C34 108.1(5) . . ?
C32 C33 Fe2 71.2(3) . . ?
C34 C33 Fe2 69.1(3) . . ?
C32 C33 H33 125.9 . . ?
C34 C33 H33 125.9 . . ?
Fe2 C33 H33 125.4 . . ?
C35 C34 C33 107.7(5) . . ?
C35 C34 Fe2 69.7(3) . . ?
C33 C34 Fe2 70.0(3) . . ?
C35 C34 H34 126.2 . . ?
C33 C34 H34 126.2 . . ?
Fe2 C34 H34 125.8 . . ?
C34 C35 C31 109.6(5) . . ?
C34 C35 Fe2 69.9(3) . . ?
C31 C35 Fe2 72.6(3) . . ?
C34 C35 H35 125.2 . . ?
C31 C35 H35 125.2 . . ?
Fe2 C35 H35 123.9 . . ?
C40 C36 C37 106.6(4) . . ?
C40 C36 P2 128.8(4) . . ?
C37 C36 P2 124.5(4) . . ?
C40 C36 Fe2 68.7(3) . . ?
C37 C36 Fe2 71.0(3) . . ?
P2 C36 Fe2 122.4(2) . . ?
C38 C37 C36 108.0(5) . . ?
C38 C37 Fe2 69.7(3) . . ?
C36 C37 Fe2 68.2(3) . . ?
C38 C37 H37 126.0 . . ?
C36 C37 H37 126.0 . . ?
Fe2 C37 H37 127.7 . . ?
C39 C38 C37 108.5(5) . . ?
C39 C38 Fe2 69.1(3) . . ?
C37 C38 Fe2 70.2(3) . . ?
C39 C38 H38 125.7 . . ?
C37 C38 H38 125.7 . . ?
Fe2 C38 H38 126.6 . . ?
C38 C39 C40 107.6(5) . . ?
C38 C39 Fe2 70.8(3) . . ?
C40 C39 Fe2 68.5(3) . . ?
C38 C39 H39 126.2 . . ?
C40 C39 H39 126.2 . . ?
Fe2 C39 H39 126.0 . . ?
C39 C40 C36 109.3(5) . . ?
C39 C40 Fe2 70.7(3) . . ?
C36 C40 Fe2 70.3(3) . . ?
C39 C40 H40 125.4 . . ?
C36 C40 H40 125.4 . . ?
Fe2 C40 H40 125.3 . . ?
C46 C41 C42 119.8(5) . . ?
C46 C41 P2 119.2(4) . . ?
C42 C41 P2 120.9(4) . . ?
C43 C42 C41 119.8(6) . . ?
C43 C42 H42 120.1 . . ?
C41 C42 H42 120.1 . . ?
C42 C43 C44 120.0(6) . . ?
C42 C43 H43 120.0 . . ?
C44 C43 H43 120.0 . . ?
C45 C44 C43 120.3(5) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 120.2(6) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 119.9(5) . . ?
C41 C46 H46 120.1 . . ?
C45 C46 H46 120.1 . . ?
C52 C47 C48 118.9(5) . . ?
C52 C47 P2 120.3(4) . . ?
C48 C47 P2 120.6(4) . . ?
C49 C48 C47 120.0(5) . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 121.1(5) . . ?
C48 C49 H49 119.4 . . ?
C50 C49 H49 119.4 . . ?
C51 C50 C49 119.5(5) . . ?
C51 C50 H50 120.2 . . ?
C49 C50 H50 120.2 . . ?
C50 C51 C52 120.6(5) . . ?
C50 C51 H51 119.7 . . ?
C52 C51 H51 119.7 . . ?
C51 C52 C47 119.8(5) . . ?
C51 C52 H52 120.1 . . ?
C47 C52 H52 120.1 . . ?
C67 Fe3 C66 41.8(2) . . ?
C67 Fe3 C62 114.7(2) . . ?
C66 Fe3 C62 108.0(2) . . ?
C67 Fe3 C64 116.3(3) . . ?
C66 Fe3 C64 155.6(3) . . ?
C62 Fe3 C64 67.8(3) . . ?
C67 Fe3 C63 97.6(3) . . ?
C66 Fe3 C63 120.7(3) . . ?
C62 Fe3 C63 40.6(2) . . ?
C64 Fe3 C63 40.3(3) . . ?
C67 Fe3 C68 40.6(3) . . ?
C66 Fe3 C68 68.9(2) . . ?
C62 Fe3 C68 146.9(2) . . ?
C64 Fe3 C68 100.9(2) . . ?
C63 Fe3 C68 110.7(2) . . ?
C67 Fe3 C65 155.3(2) . . ?
C66 Fe3 C65 162.9(2) . . ?
C62 Fe3 C65 68.0(2) . . ?
C64 Fe3 C65 40.0(2) . . ?
C63 Fe3 C65 67.9(3) . . ?
C68 Fe3 C65 123.9(2) . . ?
C67 Fe3 C69 68.3(2) . . ?
C66 Fe3 C69 68.5(2) . . ?
C62 Fe3 C69 171.5(2) . . ?
C64 Fe3 C69 118.7(3) . . ?
C63 Fe3 C69 147.8(3) . . ?
C68 Fe3 C69 40.2(2) . . ?
C65 Fe3 C69 113.0(2) . . ?
C67 Fe3 C70 68.5(2) . . ?
C66 Fe3 C70 40.7(2) . . ?
C62 Fe3 C70 132.6(2) . . ?
C64 Fe3 C70 157.0(3) . . ?
C63 Fe3 C70 161.3(3) . . ?
C68 Fe3 C70 67.4(2) . . ?
C65 Fe3 C70 129.5(2) . . ?
C69 Fe3 C70 39.9(2) . . ?
C67 Fe3 C61 153.7(2) . . ?
C66 Fe3 C61 125.9(2) . . ?
C62 Fe3 C61 40.4(2) . . ?
C64 Fe3 C61 67.5(2) . . ?
C63 Fe3 C61 68.0(2) . . ?
C68 Fe3 C61 164.2(2) . . ?
C65 Fe3 C61 40.4(2) . . ?
C69 Fe3 C61 135.0(2) . . ?
C70 Fe3 C61 119.1(2) . . ?
C67 Fe3 Au4 133.62(18) . . ?
C66 Fe3 Au4 91.88(15) . . ?
C62 Fe3 Au4 75.56(15) . . ?
C64 Fe3 Au4 109.41(17) . . ?
C63 Fe3 Au4 112.86(17) . . ?
C68 Fe3 Au4 136.26(18) . . ?
C65 Fe3 Au4 71.04(15) . . ?
C69 Fe3 Au4 96.64(18) . . ?
C70 Fe3 Au4 72.62(15) . . ?
C61 Fe3 Au4 46.57(13) . . ?
C66 P3 C77 104.8(3) . . ?
C66 P3 C71 103.9(3) . . ?
C77 P3 C71 105.2(3) . . ?
C66 P3 Au1 116.11(18) . . ?
C77 P3 Au1 115.31(19) . . ?
C71 P3 Au1 110.4(2) . . ?
C62 C61 C65 105.9(5) . . ?
C62 C61 Fe3 67.3(3) . . ?
C65 C61 Fe3 67.9(3) . . ?
C62 C61 Au5 114.3(3) . . ?
C65 C61 Au5 121.7(4) . . ?
Fe3 C61 Au5 167.3(3) . . ?
C62 C61 Au4 121.7(4) . . ?
C65 C61 Au4 112.2(4) . . ?
Fe3 C61 Au4 88.05(17) . . ?
Au5 C61 Au4 80.50(17) . . ?
C63 C62 C61 109.1(6) . . ?
C63 C62 Fe3 69.8(3) . . ?
C61 C62 Fe3 72.3(3) . . ?
C63 C62 H62 125.5 . . ?
C61 C62 H62 125.5 . . ?
Fe3 C62 H62 124.0 . . ?
C64 C63 C62 107.3(5) . . ?
C64 C63 Fe3 69.7(3) . . ?
C62 C63 Fe3 69.6(3) . . ?
C64 C63 H63 126.4 . . ?
C62 C63 H63 126.4 . . ?
Fe3 C63 H63 125.9 . . ?
C65 C64 C63 109.2(5) . . ?
C65 C64 Fe3 70.5(3) . . ?
C63 C64 Fe3 69.9(3) . . ?
C65 C64 H64 125.4 . . ?
C63 C64 H64 125.4 . . ?
Fe3 C64 H64 125.7 . . ?
C64 C65 C61 108.5(6) . . ?
C64 C65 Fe3 69.5(3) . . ?
C61 C65 Fe3 71.7(3) . . ?
C64 C65 H65 125.7 . . ?
C61 C65 H65 125.7 . . ?
Fe3 C65 H65 124.7 . . ?
C70 C66 C67 106.9(5) . . ?
C70 C66 P3 125.0(4) . . ?
C67 C66 P3 128.0(5) . . ?
C70 C66 Fe3 71.6(3) . . ?
C67 C66 Fe3 68.9(3) . . ?
P3 C66 Fe3 122.0(2) . . ?
C68 C67 C66 107.8(5) . . ?
C68 C67 Fe3 70.8(3) . . ?
C66 C67 Fe3 69.3(3) . . ?
C68 C67 H67 126.1 . . ?
C66 C67 H67 126.1 . . ?
Fe3 C67 H67 125.3 . . ?
C67 C68 C69 108.6(6) . . ?
C67 C68 Fe3 68.6(3) . . ?
C69 C68 Fe3 70.7(3) . . ?
C67 C68 H68 125.7 . . ?
C69 C68 H68 125.7 . . ?
Fe3 C68 H68 126.6 . . ?
C70 C69 C68 108.2(6) . . ?
C70 C69 Fe3 70.4(3) . . ?
C68 C69 Fe3 69.2(3) . . ?
C70 C69 H69 125.9 . . ?
C68 C69 H69 125.9 . . ?
Fe3 C69 H69 126.1 . . ?
C69 C70 C66 108.4(5) . . ?
C69 C70 Fe3 69.7(3) . . ?
C66 C70 Fe3 67.7(3) . . ?
C69 C70 H70 125.8 . . ?
C66 C70 H70 125.8 . . ?
Fe3 C70 H70 128.4 . . ?
C72 C71 C76 119.2(6) . . ?
C72 C71 P3 119.1(4) . . ?
C76 C71 P3 121.7(5) . . ?
C73 C72 C71 120.5(7) . . ?
C73 C72 H72 119.7 . . ?
C71 C72 H72 119.7 . . ?
C72 C73 C74 119.6(8) . . ?
C72 C73 H73 120.2 . . ?
C74 C73 H73 120.2 . . ?
C75 C74 C73 121.0(7) . . ?
C75 C74 H74 119.5 . . ?
C73 C74 H74 119.5 . . ?
C74 C75 C76 120.8(8) . . ?
C74 C75 H75 119.6 . . ?
C76 C75 H75 119.6 . . ?
C71 C76 C75 118.8(8) . . ?
C71 C76 H76 120.6 . . ?
C75 C76 H76 120.6 . . ?
C82 C77 C78 119.6(5) . . ?
C82 C77 P3 120.3(5) . . ?
C78 C77 P3 120.1(4) . . ?
C79 C78 C77 120.0(6) . . ?
C79 C78 H78 120.0 . . ?
C77 C78 H78 120.0 . . ?
C78 C79 C80 120.2(7) . . ?
C78 C79 H79 119.9 . . ?
C80 C79 H79 119.9 . . ?
C81 C80 C79 120.4(6) . . ?
C81 C80 H80 119.8 . . ?
C79 C80 H80 119.8 . . ?
C80 C81 C82 120.4(6) . . ?
C80 C81 H81 119.8 . . ?
C82 C81 H81 119.8 . . ?
C81 C82 C77 119.4(6) . . ?
C81 C82 H82 120.3 . . ?
C77 C82 H82 120.3 . . ?
C100 Fe4 C96 41.1(2) . . ?
C100 Fe4 C95 117.1(2) . . ?
C96 Fe4 C95 108.63(19) . . ?
C100 Fe4 C99 40.9(2) . . ?
C96 Fe4 C99 69.0(2) . . ?
C95 Fe4 C99 149.7(2) . . ?
C100 Fe4 C94 98.4(2) . . ?
C96 Fe4 C94 119.2(2) . . ?
C95 Fe4 C94 40.3(2) . . ?
C99 Fe4 C94 112.7(2) . . ?
C100 Fe4 C93 115.2(2) . . ?
C96 Fe4 C93 153.5(2) . . ?
C95 Fe4 C93 68.0(2) . . ?
C99 Fe4 C93 100.2(2) . . ?
C94 Fe4 C93 40.9(2) . . ?
C100 Fe4 C92 153.3(2) . . ?
C96 Fe4 C92 165.6(2) . . ?
C95 Fe4 C92 67.8(2) . . ?
C99 Fe4 C92 121.5(2) . . ?
C94 Fe4 C92 67.8(2) . . ?
C93 Fe4 C92 39.7(2) . . ?
C100 Fe4 C97 68.0(2) . . ?
C96 Fe4 C97 40.82(19) . . ?
C95 Fe4 C97 131.5(2) . . ?
C99 Fe4 C97 67.4(2) . . ?
C94 Fe4 C97 159.7(2) . . ?
C93 Fe4 C97 158.1(2) . . ?
C92 Fe4 C97 130.6(2) . . ?
C100 Fe4 C98 68.3(2) . . ?
C96 Fe4 C98 68.2(2) . . ?
C95 Fe4 C98 168.6(2) . . ?
C99 Fe4 C98 40.8(2) . . ?
C94 Fe4 C98 151.1(2) . . ?
C93 Fe4 C98 120.0(2) . . ?
C92 Fe4 C98 112.3(2) . . ?
C97 Fe4 C98 39.2(2) . . ?
C100 Fe4 C91 156.4(2) . . ?
C96 Fe4 C91 127.86(19) . . ?
C95 Fe4 C91 40.31(18) . . ?
C99 Fe4 C91 161.6(2) . . ?
C94 Fe4 C91 67.9(2) . . ?
C93 Fe4 C91 67.68(19) . . ?
C92 Fe4 C91 40.48(19) . . ?
C97 Fe4 C91 118.90(19) . . ?
C98 Fe4 C91 132.4(2) . . ?
C100 Fe4 Au6 134.93(15) . . ?
C96 Fe4 Au6 94.21(14) . . ?
C95 Fe4 Au6 76.10(14) . . ?
C99 Fe4 Au6 133.62(17) . . ?
C94 Fe4 Au6 113.18(15) . . ?
C93 Fe4 Au6 109.69(15) . . ?
C92 Fe4 Au6 71.40(15) . . ?
C97 Fe4 Au6 72.08(14) . . ?
C98 Fe4 Au6 92.99(15) . . ?
C91 Fe4 Au6 46.97(13) . . ?
C96 P4 C107 103.9(2) . . ?
C96 P4 C101 103.6(2) . . ?
C107 P4 C101 107.4(2) . . ?
C96 P4 Au3 114.04(16) . . ?
C107 P4 Au3 116.54(16) . . ?
C101 P4 Au3 110.35(17) . . ?
C95 C91 C92 105.5(4) . . ?
C95 C91 Au5 114.8(3) . . ?
C92 C91 Au5 122.0(3) . . ?
C95 C91 Fe4 66.9(3) . . ?
C92 C91 Fe4 68.3(3) . . ?
Au5 C91 Fe4 166.3(2) . . ?
C95 C91 Au6 121.7(3) . . ?
C92 C91 Au6 111.9(3) . . ?
Au5 C91 Au6 80.53(17) . . ?
Fe4 C91 Au6 87.11(16) . . ?
C93 C92 C91 108.7(5) . . ?
C93 C92 Fe4 69.0(3) . . ?
C91 C92 Fe4 71.2(3) . . ?
C93 C92 H92 125.6 . . ?
C91 C92 H92 125.6 . . ?
Fe4 C92 H92 125.8 . . ?
C92 C93 C94 108.6(5) . . ?
C92 C93 Fe4 71.3(3) . . ?
C94 C93 Fe4 69.5(3) . . ?
C92 C93 H93 125.7 . . ?
C94 C93 H93 125.7 . . ?
Fe4 C93 H93 125.1 . . ?
C95 C94 C93 107.2(5) . . ?
C95 C94 Fe4 69.5(3) . . ?
C93 C94 Fe4 69.6(3) . . ?
C95 C94 H94 126.4 . . ?
C93 C94 H94 126.4 . . ?
Fe4 C94 H94 126.1 . . ?
C94 C95 C91 109.9(5) . . ?
C94 C95 Fe4 70.2(3) . . ?
C91 C95 Fe4 72.8(3) . . ?
C94 C95 H95 125.0 . . ?
C91 C95 H95 125.0 . . ?
Fe4 C95 H95 123.6 . . ?
C100 C96 C97 106.8(4) . . ?
C100 C96 P4 128.6(4) . . ?
C97 C96 P4 124.5(4) . . ?
C100 C96 Fe4 69.2(3) . . ?
C97 C96 Fe4 71.5(3) . . ?
P4 C96 Fe4 121.5(2) . . ?
C98 C97 C96 109.2(5) . . ?
C98 C97 Fe4 70.4(3) . . ?
C96 C97 Fe4 67.7(3) . . ?
C98 C97 H97 125.4 . . ?
C96 C97 H97 125.4 . . ?
Fe4 C97 H97 128.1 . . ?
C97 C98 C99 107.8(5) . . ?
C97 C98 Fe4 70.4(3) . . ?
C99 C98 Fe4 68.2(3) . . ?
C97 C98 H98 126.1 . . ?
C99 C98 H98 126.1 . . ?
Fe4 C98 H98 126.9 . . ?
C100 C99 C98 107.6(5) . . ?
C100 C99 Fe4 68.8(3) . . ?
C98 C99 Fe4 71.1(3) . . ?
C100 C99 H99 126.2 . . ?
C98 C99 H99 126.2 . . ?
Fe4 C99 H99 125.5 . . ?
C99 C100 C96 108.5(5) . . ?
C99 C100 Fe4 70.3(3) . . ?
C96 C100 Fe4 69.7(3) . . ?
C99 C100 H100 125.8 . . ?
C96 C100 H100 125.8 . . ?
Fe4 C100 H100 125.8 . . ?
C102 C101 C106 119.5(4) . . ?
C102 C101 P4 120.1(4) . . ?
C106 C101 P4 120.4(4) . . ?
C101 C102 C103 120.7(5) . . ?
C101 C102 H102 119.7 . . ?
C103 C102 H102 119.7 . . ?
C102 C103 C104 118.9(6) . . ?
C102 C103 H103 120.5 . . ?
C104 C103 H103 120.5 . . ?
C105 C104 C103 120.6(5) . . ?
C105 C104 H104 119.7 . . ?
C103 C104 H104 119.7 . . ?
C104 C105 C106 120.4(6) . . ?
C104 C105 H105 119.8 . . ?
C106 C105 H105 119.8 . . ?
C105 C106 C101 119.9(6) . . ?
C105 C106 H106 120.1 . . ?
C101 C106 H106 120.1 . . ?
C112 C107 C108 119.4(4) . . ?
C112 C107 P4 120.9(4) . . ?
C108 C107 P4 119.7(4) . . ?
C109 C108 C107 119.8(5) . . ?
C109 C108 H108 120.1 . . ?
C107 C108 H108 120.1 . . ?
C108 C109 C110 119.5(5) . . ?
C108 C109 H109 120.3 . . ?
C110 C109 H109 120.3 . . ?
C111 C110 C109 119.9(5) . . ?
C111 C110 H110 120.1 . . ?
C109 C110 H110 120.1 . . ?
C112 C111 C110 120.7(5) . . ?
C112 C111 H111 119.6 . . ?
C110 C111 H111 119.6 . . ?
C111 C112 C107 120.7(5) . . ?
C111 C112 H112 119.6 . . ?
C107 C112 H112 119.6 . . ?
O3 Cl1 O1 108.4(7) . . ?
O3 Cl1 O4 110.4(7) . . ?
O1 Cl1 O4 106.5(7) . . ?
O3 Cl1 O2 111.4(5) . . ?
O1 Cl1 O2 107.8(6) . . ?
O4 Cl1 O2 112.1(5) . . ?
O7 Cl2 O5 111.7(4) . . ?
O7 Cl2 O8 110.9(4) . . ?
O5 Cl2 O8 110.5(4) . . ?
O7 Cl2 O6 109.5(4) . . ?
O5 Cl2 O6 108.7(4) . . ?
O8 Cl2 O6 105.2(4) . . ?
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 C1 2.150(5) . ?
Au1 P3 2.2894(14) . ?
Au1 Au2 2.7607(3) . ?
Au1 Fe1 2.9649(7) . ?
Au1 Au4 3.1247(3) . ?
Au2 C1 2.110(5) . ?
Au2 C31 2.123(4) . ?
Au2 Au3 2.7668(3) . ?
Au3 C31 2.149(5) . ?
Au3 P4 2.2875(12) . ?
Au3 Fe2 2.9482(7) . ?
Au3 Au6 3.2262(3) . ?
Au4 C61 2.159(5) . ?
Au4 P1 2.2902(12) . ?
Au4 Au5 2.7646(3) . ?
Au4 Fe3 2.9716(8) . ?
Au5 C91 2.115(5) . ?
Au5 C61 2.119(5) . ?
Au5 Au6 2.7636(3) . ?
Au6 C91 2.160(5) . ?
Au6 P2 2.2914(12) . ?
Au6 Fe4 2.9516(7) . ?
Fe1 C7 2.030(5) . ?
Fe1 C6 2.034(5) . ?
Fe1 C2 2.046(4) . ?
Fe1 C3 2.048(5) . ?
Fe1 C8 2.050(5) . ?
Fe1 C4 2.057(5) . ?
Fe1 C5 2.072(5) . ?
Fe1 C9 2.074(5) . ?
Fe1 C10 2.089(5) . ?
Fe1 C1 2.124(4) . ?
P1 C6 1.804(5) . ?
P1 C17 1.816(5) . ?
P1 C11 1.819(5) . ?
C1 C2 1.445(7) . ?
C1 C5 1.451(7) . ?
C2 C3 1.402(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.437(9) . ?
C3 H3 0.9500 . ?
C4 C5 1.410(8) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.432(7) . ?
C6 C10 1.439(8) . ?
C7 C8 1.420(8) . ?
C7 H7 0.9500 . ?
C8 C9 1.413(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.426(8) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.363(8) . ?
C11 C16 1.388(9) . ?
C12 C13 1.395(9) . ?
C12 H12 0.9500 . ?
C13 C14 1.309(11) . ?
C13 H13 0.9500 . ?
C14 C15 1.381(12) . ?
C14 H14 0.9500 . ?
C15 C16 1.377(9) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.383(8) . ?
C17 C18 1.397(7) . ?
C18 C19 1.380(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.378(9) . ?
C19 H19 0.9500 . ?
C20 C21 1.389(10) . ?
C20 H20 0.9500 . ?
C21 C22 1.365(9) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
Fe2 C40 2.026(5) . ?
Fe2 C35 2.042(5) . ?
Fe2 C34 2.045(5) . ?
Fe2 C36 2.047(5) . ?
Fe2 C39 2.054(5) . ?
Fe2 C33 2.056(5) . ?
Fe2 C38 2.077(5) . ?
Fe2 C37 2.084(5) . ?
Fe2 C32 2.085(5) . ?
Fe2 C31 2.116(4) . ?
P2 C36 1.788(5) . ?
P2 C47 1.811(5) . ?
P2 C41 1.826(5) . ?
C31 C35 1.433(7) . ?
C31 C32 1.454(7) . ?
C32 C33 1.413(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.434(8) . ?
C33 H33 0.9500 . ?
C34 C35 1.413(7) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C40 1.428(7) . ?
C36 C37 1.441(7) . ?
C37 C38 1.429(7) . ?
C37 H37 0.9500 . ?
C38 C39 1.416(8) . ?
C38 H38 0.9500 . ?
C39 C40 1.421(8) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.385(7) . ?
C41 C42 1.400(7) . ?
C42 C43 1.386(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.392(9) . ?
C43 H43 0.9500 . ?
C44 C45 1.374(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.398(7) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.396(7) . ?
C47 C48 1.400(6) . ?
C48 C49 1.374(7) . ?
C48 H48 0.9500 . ?
C49 C50 1.378(8) . ?
C49 H49 0.9500 . ?
C50 C51 1.374(8) . ?
C50 H50 0.9500 . ?
C51 C52 1.392(8) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
Fe3 C67 2.028(6) . ?
Fe3 C66 2.034(5) . ?
Fe3 C62 2.049(5) . ?
Fe3 C64 2.050(6) . ?
Fe3 C63 2.053(5) . ?
Fe3 C68 2.057(5) . ?
Fe3 C65 2.064(6) . ?
Fe3 C69 2.077(5) . ?
Fe3 C70 2.086(5) . ?
Fe3 C61 2.117(5) . ?
P3 C66 1.802(6) . ?
P3 C77 1.810(6) . ?
P3 C71 1.820(6) . ?
C61 C62 1.439(7) . ?
C61 C65 1.444(7) . ?
C62 C63 1.424(8) . ?
C62 H62 0.9500 . ?
C63 C64 1.415(10) . ?
C63 H63 0.9500 . ?
C64 C65 1.408(9) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C66 C70 1.433(8) . ?
C66 C67 1.449(8) . ?
C67 C68 1.417(9) . ?
C67 H67 0.9500 . ?
C68 C69 1.420(9) . ?
C68 H68 0.9500 . ?
C69 C70 1.420(8) . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C71 C72 1.387(9) . ?
C71 C76 1.392(8) . ?
C72 C73 1.363(9) . ?
C72 H72 0.9500 . ?
C73 C74 1.386(12) . ?
C73 H73 0.9500 . ?
C74 C75 1.329(13) . ?
C74 H74 0.9500 . ?
C75 C76 1.400(10) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C82 1.400(7) . ?
C77 C78 1.413(8) . ?
C78 C79 1.371(9) . ?
C78 H78 0.9500 . ?
C79 C80 1.396(10) . ?
C79 H79 0.9500 . ?
C80 C81 1.378(10) . ?
C80 H80 0.9500 . ?
C81 C82 1.396(9) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
Fe4 C100 2.028(5) . ?
Fe4 C96 2.035(5) . ?
Fe4 C95 2.045(5) . ?
Fe4 C99 2.048(5) . ?
Fe4 C94 2.054(5) . ?
Fe4 C93 2.056(5) . ?
Fe4 C92 2.085(5) . ?
Fe4 C97 2.086(5) . ?
Fe4 C98 2.087(5) . ?
Fe4 C91 2.123(5) . ?
P4 C96 1.797(5) . ?
P4 C107 1.817(5) . ?
P4 C101 1.821(5) . ?
C91 C95 1.438(7) . ?
C91 C92 1.456(7) . ?
C92 C93 1.407(7) . ?
C92 H92 0.9500 . ?
C93 C94 1.436(8) . ?
C93 H93 0.9500 . ?
C94 C95 1.412(7) . ?
C94 H94 0.9500 . ?
C95 H95 0.9500 . ?
C96 C100 1.427(7) . ?
C96 C97 1.438(7) . ?
C97 C98 1.398(7) . ?
C97 H97 0.9500 . ?
C98 C99 1.440(8) . ?
C98 H98 0.9500 . ?
C99 C100 1.424(7) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
C101 C102 1.379(7) . ?
C101 C106 1.401(7) . ?
C102 C103 1.397(7) . ?
C102 H102 0.9500 . ?
C103 C104 1.400(9) . ?
C103 H103 0.9500 . ?
C104 C105 1.364(9) . ?
C104 H104 0.9500 . ?
C105 C106 1.389(7) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C112 1.385(6) . ?
C107 C108 1.405(7) . ?
C108 C109 1.394(7) . ?
C108 H108 0.9500 . ?
C109 C110 1.398(8) . ?
C109 H109 0.9500 . ?
C110 C111 1.383(8) . ?
C110 H110 0.9500 . ?
C111 C112 1.365(7) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
Cl1 O3 1.349(7) . ?
Cl1 O1 1.390(8) . ?
Cl1 O4 1.411(9) . ?
Cl1 O2 1.416(7) . ?
Cl2 O7 1.411(5) . ?
Cl2 O5 1.416(5) . ?
Cl2 O8 1.435(6) . ?
Cl2 O6 1.439(6) . ?
