#------------------------------------------------------------------------------
#$Date: 2022-04-09 01:03:27 +0200 (Sat 09 de Apr de 2022) $
#$Revision: 274441 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/99/7709951.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_7709951
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 Ag2 Au4 Fe4 P4, 2(F6 Sb), C2 H4 Cl2, 3.5(C2 H3 N)'
_chemical_formula_sum            'C97 H86.5 Ag2 Au4 Cl2 F12 Fe4 N3.5 P4 Sb2'
_chemical_formula_weight         3194.48
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -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                110.924(2)
_cell_angle_beta                 110.250(2)
_cell_angle_gamma                95.271(2)
_cell_formula_units_Z            2
_cell_length_a                   16.6460(8)
_cell_length_b                   18.3325(10)
_cell_length_c                   18.4995(10)
_cell_measurement_reflns_used    9683
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.45
_cell_volume                     4795.3(5)
_computing_cell_refinement       'APEX3 v2019.1-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'PLATON (Spek, 2017)'
_computing_publication_material  'PLATON (Spek, 2017)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'Bruker D8 VENTURE Kappa Duo with PHOTON 1000'
_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  0.0341
_diffrn_reflns_av_unetI/netI     0.0127
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            336904
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.495
_diffrn_reflns_theta_min         2.032
_exptl_absorpt_coefficient_mu    7.823
_exptl_absorpt_correction_T_max  0.72
_exptl_absorpt_correction_T_min  0.41
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.212
_exptl_crystal_description       prism
_exptl_crystal_F_000             3022
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.523
_refine_diff_density_min         -0.998
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1137
_refine_ls_number_reflns         22004
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0166
_refine_ls_R_factor_gt           0.0152
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0141P)²+8.7272P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0361
_refine_ls_wR_factor_ref         0.0370
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21044
_reflns_number_total             22004
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00850e3.cif
_cod_data_source_block           js643_sq
_cod_original_cell_volume        4795.3(4)
_cod_original_formula_sum        'C97 H86.50 Ag2 Au4 Cl2 F12 Fe4 N3.50 P4 Sb2'
_cod_database_code               7709951
_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   0.195
_shelx_estimated_absorpt_t_max   0.745
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.62719(2) 0.64776(2) 0.36557(2) 0.01369(2) Uani 1 1 d . . . . .
Ag2 Ag 0.64590(2) 0.66657(2) 0.52451(2) 0.01567(3) Uani 1 1 d . . . . .
Au3 Au 0.66679(2) 0.71894(2) 0.69013(2) 0.01374(2) Uani 1 1 d . . . . .
Au4 Au 0.61143(2) 0.82814(2) 0.38532(2) 0.01421(2) Uani 1 1 d . . . . .
Ag5 Ag 0.65468(2) 0.88390(2) 0.55797(2) 0.01564(3) Uani 1 1 d . . . . .
Au6 Au 0.69566(2) 0.90436(2) 0.72327(2) 0.01353(2) Uani 1 1 d . . . . .
Fe1 Fe 0.42586(2) 0.61321(2) 0.28785(2) 0.01355(6) Uani 1 1 d . . . . .
Fe2 Fe 0.87220(2) 0.76210(2) 0.76522(2) 0.01391(6) Uani 1 1 d . . . . .
Fe3 Fe 0.80169(2) 0.84495(2) 0.39945(2) 0.01511(6) Uani 1 1 d . . . . .
Fe4 Fe 0.50677(2) 0.87910(2) 0.71065(2) 0.01388(6) Uani 1 1 d . . . . .
P1 P 0.47549(4) 0.79017(3) 0.27608(4) 0.01466(11) Uani 1 1 d . . . . .
P2 P 0.82968(4) 0.94685(3) 0.83619(4) 0.01389(11) Uani 1 1 d . . . . .
P3 P 0.72962(4) 0.64196(4) 0.30873(4) 0.01446(11) Uani 1 1 d . . . . .
P4 P 0.56184(4) 0.71766(4) 0.74357(4) 0.01478(11) Uani 1 1 d . . . . .
C1 C 0.52565(14) 0.63294(14) 0.40454(14) 0.0153(4) Uani 1 1 d . . . . .
C2 C 0.46837(16) 0.55251(14) 0.36311(15) 0.0177(4) Uani 1 1 d . . . . .
H2 H 0.4870 0.5039 0.3475 0.021 Uiso 1 1 calc R U . . .
C3 C 0.38017(16) 0.55749(16) 0.34945(15) 0.0208(5) Uani 1 1 d . . . . .
H3 H 0.3302 0.5133 0.3235 0.025 Uiso 1 1 calc R U . . .
C4 C 0.37990(16) 0.64061(16) 0.38151(15) 0.0208(5) Uani 1 1 d . . . . .
H4 H 0.3298 0.6616 0.3817 0.025 Uiso 1 1 calc R U . . .
C5 C 0.46740(15) 0.68637(14) 0.41305(14) 0.0168(4) Uani 1 1 d . . . . .
H5 H 0.4852 0.7435 0.4363 0.020 Uiso 1 1 calc R U . . .
C6 C 0.42412(15) 0.68430(14) 0.22447(14) 0.0158(4) Uani 1 1 d . . . . .
C7 C 0.46974(15) 0.62349(14) 0.19867(14) 0.0163(4) Uani 1 1 d . . . . .
H7 H 0.5288 0.6329 0.2033 0.020 Uiso 1 1 calc R U . . .
C8 C 0.41059(16) 0.54669(14) 0.16498(14) 0.0182(5) Uani 1 1 d . . . . .
H8 H 0.4238 0.4959 0.1444 0.022 Uiso 1 1 calc R U . . .
C9 C 0.32850(16) 0.55936(15) 0.16756(15) 0.0198(5) Uani 1 1 d . . . . .
H9 H 0.2772 0.5183 0.1484 0.024 Uiso 1 1 calc R U . . .
C10 C 0.33598(15) 0.64375(14) 0.20367(15) 0.0178(5) Uani 1 1 d . . . . .
H10 H 0.2906 0.6688 0.2124 0.021 Uiso 1 1 calc R U . . .
C11 C 0.48062(15) 0.81312(14) 0.18946(15) 0.0172(4) Uani 1 1 d . . . . .
C12 C 0.54966(16) 0.87434(15) 0.20581(16) 0.0202(5) Uani 1 1 d . . . . .
H12 H 0.5930 0.9043 0.2620 0.024 Uiso 1 1 calc R U . . .
C13 C 0.55514(18) 0.89152(16) 0.14019(18) 0.0245(5) Uani 1 1 d . . . . .
H13 H 0.6026 0.9326 0.1514 0.029 Uiso 1 1 calc R U . . .
C14 C 0.49140(19) 0.84873(17) 0.05844(18) 0.0266(6) Uani 1 1 d . . . . .
H14 H 0.4945 0.8617 0.0140 0.032 Uiso 1 1 calc R U . . .
C15 C 0.42309(19) 0.78703(17) 0.04103(17) 0.0270(6) Uani 1 1 d . . . . .
H15 H 0.3799 0.7574 -0.0153 0.032 Uiso 1 1 calc R U . . .
C16 C 0.41828(17) 0.76888(16) 0.10644(16) 0.0219(5) Uani 1 1 d . . . . .
H16 H 0.3722 0.7260 0.0945 0.026 Uiso 1 1 calc R U . . .
C17 C 0.39440(15) 0.83898(14) 0.30621(15) 0.0170(4) Uani 1 1 d . . . . .
C18 C 0.31549(16) 0.83690(15) 0.24451(16) 0.0209(5) Uani 1 1 d . . . . .
H18 H 0.3031 0.8088 0.1862 0.025 Uiso 1 1 calc R U . . .
C19 C 0.25510(17) 0.87588(16) 0.26847(17) 0.0240(5) Uani 1 1 d . . . . .
H19 H 0.2013 0.8741 0.2265 0.029 Uiso 1 1 calc R U . . .
C20 C 0.27344(17) 0.91748(15) 0.35397(18) 0.0240(5) Uani 1 1 d . . . . .
H20 H 0.2323 0.9444 0.3703 0.029 Uiso 1 1 calc R U . . .
C21 C 0.35162(18) 0.91964(16) 0.41527(17) 0.0243(5) Uani 1 1 d . . . . .
H21 H 0.3638 0.9479 0.4736 0.029 Uiso 1 1 calc R U . . .
C22 C 0.41237(16) 0.88059(15) 0.39184(16) 0.0200(5) Uani 1 1 d . . . . .
H22 H 0.4660 0.8823 0.4341 0.024 Uiso 1 1 calc R U . . .
C31 C 0.76639(15) 0.70506(14) 0.64588(14) 0.0157(4) Uani 1 1 d . . . . .
C32 C 0.81781(15) 0.64939(14) 0.66504(14) 0.0168(4) Uani 1 1 d . . . . .
H32 H 0.7957 0.6011 0.6675 0.020 Uiso 1 1 calc R U . . .
C33 C 0.90623(16) 0.67873(15) 0.67941(15) 0.0206(5) Uani 1 1 d . . . . .
H33 H 0.9531 0.6533 0.6928 0.025 Uiso 1 1 calc R U . . .
C34 C 0.91290(16) 0.75267(16) 0.67031(15) 0.0211(5) Uani 1 1 d . . . . .
H34 H 0.9645 0.7849 0.6758 0.025 Uiso 1 1 calc R U . . .
C35 C 0.82821(15) 0.76942(14) 0.65153(14) 0.0169(4) Uani 1 1 d . . . . .
H35 H 0.8144 0.8160 0.6439 0.020 Uiso 1 1 calc R U . . .
C36 C 0.87938(15) 0.86928(14) 0.85652(14) 0.0155(4) Uani 1 1 d . . . . .
C37 C 0.83558(16) 0.80412(14) 0.86599(14) 0.0171(4) Uani 1 1 d . . . . .
H37 H 0.7775 0.7959 0.8639 0.021 Uiso 1 1 calc R U . . .
C38 C 0.89440(17) 0.75416(14) 0.87895(14) 0.0199(5) Uani 1 1 d . . . . .
H38 H 0.8822 0.7064 0.8865 0.024 Uiso 1 1 calc R U . . .
C39 C 0.97454(16) 0.78767(15) 0.87865(15) 0.0211(5) Uani 1 1 d . . . . .
H39 H 1.0251 0.7662 0.8861 0.025 Uiso 1 1 calc R U . . .
C40 C 0.96625(15) 0.85907(14) 0.86520(14) 0.0180(5) Uani 1 1 d . . . . .
H40 H 1.0102 0.8936 0.8625 0.022 Uiso 1 1 calc R U . . .
C41 C 0.81599(15) 1.00473(14) 0.93232(15) 0.0175(4) Uani 1 1 d . . . . .
C42 C 0.7835(2) 1.07298(19) 0.93791(18) 0.0326(6) Uani 1 1 d . . . . .
H42 H 0.7742 1.0914 0.8944 0.039 Uiso 1 1 calc R U . . .
C43 C 0.7648(2) 1.1141(2) 1.0066(2) 0.0430(8) Uani 1 1 d . . . . .
H43 H 0.7437 1.1612 1.0104 0.052 Uiso 1 1 calc R U . . .
C44 C 0.7766(2) 1.0873(2) 1.06966(19) 0.0373(7) Uani 1 1 d . . . . .
H44 H 0.7623 1.1152 1.1160 0.045 Uiso 1 1 calc R U . . .
C45 C 0.8089(2) 1.02008(18) 1.06510(17) 0.0301(6) Uani 1 1 d . . . . .
H45 H 0.8174 1.0017 1.1085 0.036 Uiso 1 1 calc R U . . .
C46 C 0.82916(17) 0.97902(15) 0.99676(16) 0.0221(5) Uani 1 1 d . . . . .
H46 H 0.8522 0.9331 0.9942 0.027 Uiso 1 1 calc R U . . .
C47 C 0.91317(15) 1.01303(14) 0.83029(15) 0.0157(4) Uani 1 1 d . . . . .
C48 C 0.97332(17) 1.07919(16) 0.90204(16) 0.0239(5) Uani 1 1 d . . . . .
H48 H 0.9714 1.0906 0.9556 0.029 Uiso 1 1 calc R U . . .
C49 C 1.03620(19) 1.12841(17) 0.89486(17) 0.0304(6) Uani 1 1 d . . . . .
H49 H 1.0765 1.1740 0.9436 0.036 Uiso 1 1 calc R U . . .
C50 C 1.04046(18) 1.11153(16) 0.81771(18) 0.0266(6) Uani 1 1 d . . . . .
H50 H 1.0842 1.1450 0.8136 0.032 Uiso 1 1 calc R U . . .
C51 C 0.98106(19) 1.04587(17) 0.74627(18) 0.0290(6) Uani 1 1 d . . . . .
H51 H 0.9844 1.0339 0.6932 0.035 Uiso 1 1 calc R U . . .
C52 C 0.91646(18) 0.99737(15) 0.75211(16) 0.0237(5) Uani 1 1 d . . . . .
H52 H 0.8744 0.9534 0.7026 0.028 Uiso 1 1 calc R U . . .
C61 C 0.73753(15) 0.87752(14) 0.48176(14) 0.0151(4) Uani 1 1 d . . . . .
C62 C 0.80093(15) 0.83201(15) 0.50391(14) 0.0177(4) Uani 1 1 d . . . . .
H62 H 0.7875 0.7815 0.5060 0.021 Uiso 1 1 calc R U . . .
C63 C 0.88637(16) 0.87426(17) 0.52210(16) 0.0238(5) Uani 1 1 d . . . . .
H63 H 0.9396 0.8578 0.5398 0.029 Uiso 1 1 calc R U . . .
C64 C 0.87790(17) 0.94550(16) 0.50908(16) 0.0245(5) Uani 1 1 d . . . . .
H64 H 0.9246 0.9848 0.5160 0.029 Uiso 1 1 calc R U . . .
C65 C 0.78798(16) 0.94798(14) 0.48397(15) 0.0191(5) Uani 1 1 d . . . . .
H65 H 0.7644 0.9891 0.4707 0.023 Uiso 1 1 calc R U . . .
C66 C 0.77313(16) 0.73302(14) 0.30504(15) 0.0166(4) Uani 1 1 d . . . . .
C67 C 0.86392(16) 0.77350(15) 0.33592(16) 0.0201(5) Uani 1 1 d . . . . .
H67 H 0.9137 0.7554 0.3605 0.024 Uiso 1 1 calc R U . . .
C68 C 0.86626(17) 0.84546(15) 0.32324(16) 0.0219(5) Uani 1 1 d . . . . .
H68 H 0.9181 0.8842 0.3387 0.026 Uiso 1 1 calc R U . . .
C69 C 0.77775(18) 0.84986(15) 0.28339(15) 0.0212(5) Uani 1 1 d . . . . .
H69 H 0.7604 0.8919 0.2678 0.025 Uiso 1 1 calc R U . . .
C70 C 0.72002(16) 0.78031(14) 0.27119(15) 0.0180(5) Uani 1 1 d . . . . .
H70 H 0.6573 0.7673 0.2452 0.022 Uiso 1 1 calc R U . . .
C71 C 0.67884(16) 0.56820(14) 0.19902(15) 0.0179(5) Uani 1 1 d . . . . .
C72 C 0.6985(2) 0.58013(16) 0.13616(17) 0.0270(6) Uani 1 1 d . . . . .
H72 H 0.7406 0.6270 0.1500 0.032 Uiso 1 1 calc R U . . .
C73 C 0.6560(2) 0.52273(18) 0.05297(18) 0.0359(7) Uani 1 1 d . . . . .
H73 H 0.6688 0.5310 0.0098 0.043 Uiso 1 1 calc R U . . .
C74 C 0.5959(2) 0.45409(17) 0.03214(17) 0.0330(6) Uani 1 1 d . . . . .
H74 H 0.5677 0.4152 -0.0250 0.040 Uiso 1 1 calc R U . . .
C75 C 0.5764(2) 0.44172(17) 0.09415(19) 0.0328(6) Uani 1 1 d . . . . .
H75 H 0.5352 0.3941 0.0799 0.039 Uiso 1 1 calc R U . . .
C76 C 0.61689(18) 0.49890(16) 0.17715(17) 0.0254(5) Uani 1 1 d . . . . .
H76 H 0.6024 0.4909 0.2196 0.030 Uiso 1 1 calc R U . . .
C77 C 0.82616(15) 0.61035(14) 0.35880(15) 0.0172(4) Uani 1 1 d . . . . .
C78 C 0.85579(17) 0.62642(15) 0.44430(16) 0.0222(5) Uani 1 1 d . . . . .
H78 H 0.8250 0.6532 0.4763 0.027 Uiso 1 1 calc R U . . .
C79 C 0.93064(19) 0.60325(18) 0.48315(18) 0.0303(6) Uani 1 1 d . . . . .
H79 H 0.9514 0.6151 0.5418 0.036 Uiso 1 1 calc R U . . .
C80 C 0.97472(18) 0.56310(18) 0.43662(19) 0.0287(6) Uani 1 1 d . . . . .
H80 H 1.0256 0.5473 0.4632 0.034 Uiso 1 1 calc R U . . .
C81 C 0.94471(19) 0.54596(19) 0.3514(2) 0.0317(6) Uani 1 1 d . . . . .
H81 H 0.9745 0.5175 0.3192 0.038 Uiso 1 1 calc R U . . .
C82 C 0.87119(18) 0.57005(18) 0.31245(18) 0.0274(6) Uani 1 1 d . . . . .
H82 H 0.8516 0.5590 0.2540 0.033 Uiso 1 1 calc R U . . .
C91 C 0.57025(15) 0.88535(14) 0.63168(14) 0.0161(4) Uani 1 1 d . . . . .
C92 C 0.50076(15) 0.81269(14) 0.59325(14) 0.0166(4) Uani 1 1 d . . . . .
H92 H 0.5086 0.7594 0.5754 0.020 Uiso 1 1 calc R U . . .
C93 C 0.41902(16) 0.83309(15) 0.58628(15) 0.0203(5) Uani 1 1 d . . . . .
H93 H 0.3631 0.7962 0.5616 0.024 Uiso 1 1 calc R U . . .
C94 C 0.43552(16) 0.91827(16) 0.62257(16) 0.0212(5) Uani 1 1 d . . . . .
H94 H 0.3926 0.9484 0.6271 0.025 Uiso 1 1 calc R U . . .
C95 C 0.52707(16) 0.95073(14) 0.65090(15) 0.0181(5) Uani 1 1 d . . . . .
H95 H 0.5557 1.0065 0.6782 0.022 Uiso 1 1 calc R U . . .
C96 C 0.52757(15) 0.80941(14) 0.77651(15) 0.0156(4) Uani 1 1 d . . . . .
C97 C 0.43989(16) 0.82138(15) 0.75630(15) 0.0182(5) Uani 1 1 d . . . . .
H97 H 0.3864 0.7804 0.7235 0.022 Uiso 1 1 calc R U . . .
C98 C 0.44737(16) 0.90554(15) 0.79418(16) 0.0204(5) Uani 1 1 d . . . . .
H98 H 0.3995 0.9306 0.7903 0.024 Uiso 1 1 calc R U . . .
C99 C 0.53850(16) 0.94602(15) 0.83878(15) 0.0193(5) Uani 1 1 d . . . . .
H99 H 0.5619 1.0026 0.8697 0.023 Uiso 1 1 calc R U . . .
C100 C 0.58847(16) 0.88716(14) 0.82907(15) 0.0172(4) Uani 1 1 d . . . . .
H100 H 0.6511 0.8974 0.8531 0.021 Uiso 1 1 calc R U . . .
C101 C 0.60615(16) 0.70192(14) 0.84035(15) 0.0181(5) Uani 1 1 d . . . . .
C102 C 0.58270(19) 0.73870(18) 0.90783(18) 0.0280(6) Uani 1 1 d . . . . .
H102 H 0.5371 0.7665 0.9011 0.034 Uiso 1 1 calc R U . . .
C103 C 0.6261(2) 0.73459(19) 0.98472(18) 0.0333(7) Uani 1 1 d . . . . .
H103 H 0.6096 0.7593 1.0303 0.040 Uiso 1 1 calc R U . . .
C104 C 0.69321(19) 0.69480(16) 0.99550(17) 0.0258(5) Uani 1 1 d . . . . .
H104 H 0.7238 0.6934 1.0487 0.031 Uiso 1 1 calc R U . . .
C105 C 0.71549(17) 0.65702(15) 0.92815(16) 0.0211(5) Uani 1 1 d . . . . .
H105 H 0.7607 0.6288 0.9349 0.025 Uiso 1 1 calc R U . . .
C106 C 0.67199(16) 0.66027(14) 0.85110(15) 0.0182(5) Uani 1 1 d . . . . .
H106 H 0.6872 0.6338 0.8051 0.022 Uiso 1 1 calc R U . . .
C107 C 0.45969(16) 0.64051(14) 0.67108(16) 0.0180(5) Uani 1 1 d . . . . .
C108 C 0.44235(17) 0.60267(15) 0.58528(16) 0.0211(5) Uani 1 1 d . . . . .
H108 H 0.4842 0.6163 0.5651 0.025 Uiso 1 1 calc R U . . .
C109 C 0.36341(19) 0.54471(16) 0.52908(18) 0.0283(6) Uani 1 1 d . . . . .
H109 H 0.3517 0.5189 0.4706 0.034 Uiso 1 1 calc R U . . .
C110 C 0.30223(18) 0.52463(16) 0.55787(18) 0.0287(6) Uani 1 1 d . . . . .
H110 H 0.2484 0.4853 0.5193 0.034 Uiso 1 1 calc R U . . .
C111 C 0.31941(18) 0.56210(16) 0.64362(19) 0.0282(6) Uani 1 1 d . . . . .
H111 H 0.2774 0.5480 0.6635 0.034 Uiso 1 1 calc R U . . .
C112 C 0.39769(17) 0.61993(15) 0.70014(17) 0.0227(5) Uani 1 1 d . . . . .
H112 H 0.4091 0.6455 0.7585 0.027 Uiso 1 1 calc R U . . .
Sb1 Sb 0.09260(2) 0.49424(2) 0.19208(2) 0.02226(4) Uani 1 1 d . . . . .
F1 F 0.11032(15) 0.49318(14) 0.29706(13) 0.0504(5) Uani 1 1 d . . . . .
F2 F 0.18405(11) 0.44170(10) 0.18939(12) 0.0336(4) Uani 1 1 d . . . . .
F3 F 0.17385(12) 0.59425(10) 0.24631(14) 0.0430(5) Uani 1 1 d . . . . .
F4 F 0.00256(11) 0.54759(11) 0.19735(12) 0.0369(4) Uani 1 1 d . . . . .
F5 F 0.01105(13) 0.39463(11) 0.13848(17) 0.0610(7) Uani 1 1 d . . . . .
F6 F 0.07631(19) 0.49393(15) 0.08774(14) 0.0643(7) Uani 1 1 d . . . . .
Sb2 Sb 0.83432(2) 1.10172(2) 0.33540(2) 0.02651(4) Uani 1 1 d . . . . .
F7 F 0.76910(15) 1.08564(18) 0.39481(18) 0.0690(7) Uani 1 1 d . . . . .
F8 F 0.90218(11) 1.03394(11) 0.36758(13) 0.0399(4) Uani 1 1 d . . . . .
F9 F 0.91612(14) 1.19018(12) 0.43090(13) 0.0509(5) Uani 1 1 d . . . . .
F10 F 0.76517(14) 1.16842(14) 0.30378(19) 0.0701(8) Uani 1 1 d . . . . .
F11 F 0.75401(14) 1.01337(13) 0.23850(15) 0.0601(6) Uani 1 1 d . . . . .
F12 F 0.89930(14) 1.11639(14) 0.27463(13) 0.0527(5) Uani 1 1 d . . . . .
C1S C 0.1248(2) 0.70116(19) 0.4151(2) 0.0360(7) Uani 1 1 d . . . . .
H1S1 H 0.0893 0.6573 0.3583 0.043 Uiso 1 1 calc R U . . .
H1S2 H 0.0847 0.7190 0.4431 0.043 Uiso 1 1 calc R U . . .
C2S C 0.1702(2) 0.7696(2) 0.4069(3) 0.0467(8) Uani 1 1 d . . . . .
H2S1 H 0.2085 0.7514 0.3768 0.056 Uiso 1 1 calc R U . . .
H2S2 H 0.2075 0.8128 0.4637 0.056 Uiso 1 1 calc R U . . .
Cl1S Cl 0.20664(5) 0.66560(5) 0.47687(6) 0.04340(18) Uani 1 1 d . . . . .
Cl2S Cl 0.08633(6) 0.80711(7) 0.34780(8) 0.0589(3) Uani 1 1 d . . . . .
N1S N -0.1834(3) 0.2778(3) -0.0365(3) 0.0742(12) Uani 1 1 d . . . . .
C3S C -0.1771(3) 0.3440(4) -0.0071(3) 0.0768(15) Uani 1 1 d . . . . .
C4S C -0.1659(4) 0.4341(4) 0.0253(4) 0.097(2) Uani 1 1 d . . . . .
H4S1 H -0.1120 0.4590 0.0240 0.146 Uiso 1 1 calc R U . . .
H4S2 H -0.1615 0.4558 0.0836 0.146 Uiso 1 1 calc R U . . .
H4S3 H -0.2170 0.4460 -0.0108 0.146 Uiso 1 1 calc R U . . .
N2S N -0.1210(2) 0.6625(3) 0.1169(3) 0.0737(13) Uani 1 1 d . . . . .
C5S C -0.0599(3) 0.6669(2) 0.1094(3) 0.0559(10) Uani 1 1 d . . . . .
C6S C 0.0277(3) 0.6778(3) 0.1092(3) 0.0627(11) Uani 1 1 d . . . . .
H6S1 H 0.0718 0.7099 0.1672 0.094 Uiso 1 1 calc R U . . .
H6S2 H 0.0301 0.7057 0.0734 0.094 Uiso 1 1 calc R U . . .
H6S3 H 0.0402 0.6250 0.0869 0.094 Uiso 1 1 calc R U . . .
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'
Ag Ag -0.8971 1.1015 '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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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 170.60(7) . . ?
C1 Au1 Ag2 53.42(6) . . ?
P3 Au1 Ag2 130.144(16) . . ?
C1 Au1 Fe1 43.27(6) . . ?
P3 Au1 Fe1 132.717(17) . . ?
Ag2 Au1 Fe1 96.585(8) . . ?
C1 Au1 Au4 91.88(6) . . ?
P3 Au1 Au4 95.886(15) . . ?
Ag2 Au1 Au4 98.065(5) . . ?
Fe1 Au1 Au4 82.238(7) . . ?
C1 Ag2 C31 177.89(8) . . ?
C1 Ag2 Au1 48.29(6) . . ?
C31 Ag2 Au1 131.64(6) . . ?
C1 Ag2 Au3 131.34(6) . . ?
C31 Ag2 Au3 48.15(6) . . ?
Au1 Ag2 Au3 167.897(8) . . ?
C31 Au3 P4 171.17(7) . . ?
C31 Au3 Ag2 53.38(6) . . ?
P4 Au3 Ag2 129.270(16) . . ?
C31 Au3 Fe2 42.05(6) . . ?
P4 Au3 Fe2 135.569(17) . . ?
Ag2 Au3 Fe2 94.990(8) . . ?
C31 Au3 Au6 92.09(6) . . ?
P4 Au3 Au6 95.942(15) . . ?
Ag2 Au3 Au6 94.228(5) . . ?
Fe2 Au3 Au6 82.673(7) . . ?
C61 Au4 P1 171.78(7) . . ?
C61 Au4 Ag5 53.51(6) . . ?
P1 Au4 Ag5 129.056(16) . . ?
C61 Au4 Fe3 43.12(6) . . ?
P1 Au4 Fe3 134.796(17) . . ?
Ag5 Au4 Fe3 96.083(8) . . ?
C61 Au4 Au1 91.28(6) . . ?
P1 Au4 Au1 96.233(15) . . ?
Ag5 Au4 Au1 92.919(5) . . ?
Fe3 Au4 Au1 81.914(7) . . ?
C91 Ag5 C61 177.93(8) . . ?
C91 Ag5 Au6 47.69(6) . . ?
C61 Ag5 Au6 132.75(6) . . ?
C91 Ag5 Au4 131.69(6) . . ?
C61 Ag5 Au4 47.30(6) . . ?
Au6 Ag5 Au4 167.432(8) . . ?
C91 Au6 P2 169.90(7) . . ?
C91 Au6 Ag5 53.55(6) . . ?
P2 Au6 Ag5 130.268(15) . . ?
C91 Au6 Fe4 43.54(6) . . ?
P2 Au6 Fe4 132.080(16) . . ?
Ag5 Au6 Fe4 96.979(8) . . ?
C91 Au6 Au3 92.58(6) . . ?
P2 Au6 Au3 95.833(15) . . ?
Ag5 Au6 Au3 97.822(5) . . ?
Fe4 Au6 Au3 83.297(7) . . ?
C10 Fe1 C5 117.10(10) . . ?
C10 Fe1 C6 41.25(9) . . ?
C5 Fe1 C6 107.98(9) . . ?
C10 Fe1 C9 40.79(9) . . ?
C5 Fe1 C9 150.34(10) . . ?
C6 Fe1 C9 68.88(9) . . ?
C10 Fe1 C4 100.30(10) . . ?
C5 Fe1 C4 40.52(9) . . ?
C6 Fe1 C4 120.99(10) . . ?
C9 Fe1 C4 114.08(10) . . ?
C10 Fe1 C3 117.47(10) . . ?
C5 Fe1 C3 68.38(10) . . ?
C6 Fe1 C3 155.82(10) . . ?
C9 Fe1 C3 101.99(10) . . ?
C4 Fe1 C3 40.66(10) . . ?
C10 Fe1 C2 156.11(9) . . ?
C5 Fe1 C2 68.19(9) . . ?
C6 Fe1 C2 162.52(9) . . ?
C9 Fe1 C2 123.27(10) . . ?
C4 Fe1 C2 67.98(10) . . ?
C3 Fe1 C2 40.35(9) . . ?
C10 Fe1 C8 68.47(10) . . ?
C5 Fe1 C8 168.13(10) . . ?
C6 Fe1 C8 68.69(9) . . ?
C9 Fe1 C8 40.37(10) . . ?
C4 Fe1 C8 151.16(10) . . ?
C3 Fe1 C8 119.51(10) . . ?
C2 Fe1 C8 111.34(10) . . ?
C10 Fe1 C7 68.59(9) . . ?
C5 Fe1 C7 130.03(9) . . ?
C6 Fe1 C7 40.95(9) . . ?
C9 Fe1 C7 67.91(9) . . ?
C4 Fe1 C7 161.31(10) . . ?
C3 Fe1 C7 157.74(10) . . ?
C2 Fe1 C7 127.78(9) . . ?
C8 Fe1 C7 40.22(9) . . ?
C10 Fe1 C1 155.94(9) . . ?
C5 Fe1 C1 40.96(9) . . ?
C6 Fe1 C1 125.21(9) . . ?
C9 Fe1 C1 163.08(10) . . ?
C4 Fe1 C1 68.68(9) . . ?
C3 Fe1 C1 68.72(9) . . ?
C2 Fe1 C1 40.77(9) . . ?
C8 Fe1 C1 130.95(9) . . ?
C7 Fe1 C1 115.28(9) . . ?
C10 Fe1 Au1 134.67(7) . . ?
C5 Fe1 Au1 73.16(7) . . ?
C6 Fe1 Au1 93.57(7) . . ?
C9 Fe1 Au1 135.50(7) . . ?
C4 Fe1 Au1 110.02(7) . . ?
C3 Fe1 Au1 107.41(7) . . ?
C2 Fe1 Au1 68.96(7) . . ?
C8 Fe1 Au1 95.44(7) . . ?
C7 Fe1 Au1 72.38(6) . . ?
C1 Fe1 Au1 42.96(6) . . ?
C35 Fe2 C40 116.36(10) . . ?
C35 Fe2 C36 108.76(9) . . ?
C40 Fe2 C36 41.17(9) . . ?
C35 Fe2 C34 40.74(9) . . ?
C40 Fe2 C34 101.49(10) . . ?
C36 Fe2 C34 123.84(10) . . ?
C35 Fe2 C39 148.81(10) . . ?
C40 Fe2 C39 40.82(10) . . ?
C36 Fe2 C39 68.74(9) . . ?
C34 Fe2 C39 113.08(10) . . ?
C35 Fe2 C33 68.27(10) . . ?
C40 Fe2 C33 120.41(10) . . ?
C36 Fe2 C33 159.42(10) . . ?
C34 Fe2 C33 40.58(10) . . ?
C39 Fe2 C33 102.78(10) . . ?
C35 Fe2 C38 169.91(10) . . ?
C40 Fe2 C38 68.37(10) . . ?
C36 Fe2 C38 68.40(9) . . ?
C34 Fe2 C38 149.05(10) . . ?
C39 Fe2 C38 40.32(10) . . ?
C33 Fe2 C38 117.95(10) . . ?
C35 Fe2 C32 68.18(9) . . ?
C40 Fe2 C32 159.13(9) . . ?
C36 Fe2 C32 159.45(9) . . ?
C34 Fe2 C32 68.04(10) . . ?
C39 Fe2 C32 124.92(10) . . ?
C33 Fe2 C32 40.18(9) . . ?
C38 Fe2 C32 110.84(10) . . ?
C35 Fe2 C37 131.59(10) . . ?
C40 Fe2 C37 68.64(9) . . ?
C36 Fe2 C37 40.90(9) . . ?
C34 Fe2 C37 164.36(10) . . ?
C39 Fe2 C37 67.93(10) . . ?
C33 Fe2 C37 154.88(10) . . ?
C38 Fe2 C37 40.11(9) . . ?
C32 Fe2 C37 125.16(9) . . ?
C35 Fe2 C31 40.83(9) . . ?
C40 Fe2 C31 154.02(9) . . ?
C36 Fe2 C31 123.51(9) . . ?
C34 Fe2 C31 68.75(9) . . ?
C39 Fe2 C31 165.06(10) . . ?
C33 Fe2 C31 68.49(9) . . ?
C38 Fe2 C31 131.94(10) . . ?
C32 Fe2 C31 40.81(9) . . ?
C37 Fe2 C31 114.62(9) . . ?
C35 Fe2 Au3 72.14(7) . . ?
C40 Fe2 Au3 132.74(7) . . ?
C36 Fe2 Au3 91.58(7) . . ?
C34 Fe2 Au3 109.04(7) . . ?
C39 Fe2 Au3 137.64(8) . . ?
C33 Fe2 Au3 106.11(7) . . ?
C38 Fe2 Au3 98.04(7) . . ?
C32 Fe2 Au3 67.99(6) . . ?
C37 Fe2 Au3 72.80(7) . . ?
C31 Fe2 Au3 41.82(6) . . ?
C62 Fe3 C67 116.42(10) . . ?
C62 Fe3 C66 108.47(10) . . ?
C67 Fe3 C66 41.10(9) . . ?
C62 Fe3 C63 40.70(10) . . ?
C67 Fe3 C63 100.26(10) . . ?
C66 Fe3 C63 122.07(10) . . ?
C62 Fe3 C68 148.90(10) . . ?
C67 Fe3 C68 40.62(10) . . ?
C66 Fe3 C68 68.63(10) . . ?
C63 Fe3 C68 112.79(11) . . ?
C62 Fe3 C64 68.19(10) . . ?
C67 Fe3 C64 118.36(10) . . ?
C66 Fe3 C64 156.99(10) . . ?
C63 Fe3 C64 40.46(11) . . ?
C68 Fe3 C64 101.98(10) . . ?
C62 Fe3 C65 68.20(10) . . ?
C67 Fe3 C65 156.96(10) . . ?
C66 Fe3 C65 161.79(10) . . ?
C63 Fe3 C65 67.93(10) . . ?
C68 Fe3 C65 123.92(10) . . ?
C64 Fe3 C65 40.12(10) . . ?
C62 Fe3 C69 169.57(10) . . ?
C67 Fe3 C69 68.19(10) . . ?
C66 Fe3 C69 68.29(9) . . ?
C63 Fe3 C69 149.59(10) . . ?
C68 Fe3 C69 40.38(10) . . ?
C64 Fe3 C69 118.84(10) . . ?
C65 Fe3 C69 111.55(10) . . ?
C62 Fe3 C70 131.38(10) . . ?
C67 Fe3 C70 68.30(10) . . ?
C66 Fe3 C70 40.79(9) . . ?
C63 Fe3 C70 162.55(10) . . ?
C68 Fe3 C70 67.69(10) . . ?
C64 Fe3 C70 156.52(10) . . ?
C65 Fe3 C70 127.35(10) . . ?
C69 Fe3 C70 39.90(9) . . ?
C62 Fe3 C61 40.85(9) . . ?
C67 Fe3 C61 154.93(10) . . ?
C66 Fe3 C61 124.97(9) . . ?
C63 Fe3 C61 68.67(9) . . ?
C68 Fe3 C61 164.14(10) . . ?
C64 Fe3 C61 68.40(9) . . ?
C65 Fe3 C61 40.82(9) . . ?
C69 Fe3 C61 132.19(10) . . ?
C70 Fe3 C61 116.02(9) . . ?
C62 Fe3 Au4 72.75(7) . . ?
C67 Fe3 Au4 134.33(7) . . ?
C66 Fe3 Au4 93.27(7) . . ?
C63 Fe3 Au4 109.66(7) . . ?
C68 Fe3 Au4 137.22(8) . . ?
C64 Fe3 Au4 106.68(7) . . ?
C65 Fe3 Au4 68.56(7) . . ?
C69 Fe3 Au4 97.27(7) . . ?
C70 Fe3 Au4 73.51(7) . . ?
C61 Fe3 Au4 42.54(6) . . ?
C96 Fe4 C97 41.28(9) . . ?
C96 Fe4 C92 107.67(9) . . ?
C97 Fe4 C92 116.19(10) . . ?
C96 Fe4 C93 121.32(10) . . ?
C97 Fe4 C93 100.04(10) . . ?
C92 Fe4 C93 40.65(9) . . ?
C96 Fe4 C98 68.71(9) . . ?
C97 Fe4 C98 40.67(10) . . ?
C92 Fe4 C98 149.35(10) . . ?
C93 Fe4 C98 113.45(10) . . ?
C96 Fe4 C94 156.45(10) . . ?
C97 Fe4 C94 118.07(10) . . ?
C92 Fe4 C94 68.17(10) . . ?
C93 Fe4 C94 40.39(10) . . ?
C98 Fe4 C94 102.54(10) . . ?
C96 Fe4 C95 161.81(9) . . ?
C97 Fe4 C95 156.86(9) . . ?
C92 Fe4 C95 68.08(9) . . ?
C93 Fe4 C95 67.80(10) . . ?
C98 Fe4 C95 124.35(10) . . ?
C94 Fe4 C95 40.20(9) . . ?
C96 Fe4 C99 68.29(9) . . ?
C97 Fe4 C99 68.17(10) . . ?
C92 Fe4 C99 168.86(10) . . ?
C93 Fe4 C99 150.44(10) . . ?
C98 Fe4 C99 40.22(10) . . ?
C94 Fe4 C99 119.83(10) . . ?
C95 Fe4 C99 112.31(10) . . ?
C96 Fe4 C100 40.85(9) . . ?
C97 Fe4 C100 68.47(9) . . ?
C92 Fe4 C100 130.50(9) . . ?
C93 Fe4 C100 161.74(10) . . ?
C98 Fe4 C100 67.64(10) . . ?
C94 Fe4 C100 157.51(10) . . ?
C95 Fe4 C100 127.83(10) . . ?
C99 Fe4 C100 39.87(9) . . ?
C96 Fe4 C91 124.54(9) . . ?
C97 Fe4 C91 154.75(10) . . ?
C92 Fe4 C91 40.81(9) . . ?
C93 Fe4 C91 68.58(9) . . ?
C98 Fe4 C91 164.34(10) . . ?
C94 Fe4 C91 68.46(9) . . ?
C95 Fe4 C91 40.74(9) . . ?
C99 Fe4 C91 132.20(10) . . ?
C100 Fe4 C91 115.70(9) . . ?
C96 Fe4 Au6 92.89(6) . . ?
C97 Fe4 Au6 134.10(7) . . ?
C92 Fe4 Au6 73.13(7) . . ?
C93 Fe4 Au6 110.04(7) . . ?
C98 Fe4 Au6 136.23(7) . . ?
C94 Fe4 Au6 107.20(7) . . ?
C95 Fe4 Au6 68.92(6) . . ?
C99 Fe4 Au6 96.42(7) . . ?
C100 Fe4 Au6 72.73(6) . . ?
C91 Fe4 Au6 43.02(6) . . ?
C6 P1 C17 105.52(11) . . ?
C6 P1 C11 102.81(11) . . ?
C17 P1 C11 106.15(11) . . ?
C6 P1 Au4 115.62(8) . . ?
C17 P1 Au4 113.81(8) . . ?
C11 P1 Au4 111.91(8) . . ?
C36 P2 C47 105.90(11) . . ?
C36 P2 C41 105.19(11) . . ?
C47 P2 C41 106.25(11) . . ?
C36 P2 Au6 116.31(8) . . ?
C47 P2 Au6 113.72(8) . . ?
C41 P2 Au6 108.71(8) . . ?
C66 P3 C77 104.87(11) . . ?
C66 P3 C71 105.04(11) . . ?
C77 P3 C71 105.33(11) . . ?
C66 P3 Au1 116.14(8) . . ?
C77 P3 Au1 115.55(8) . . ?
C71 P3 Au1 108.91(8) . . ?
C96 P4 C107 104.74(11) . . ?
C96 P4 C101 103.43(11) . . ?
C107 P4 C101 108.14(11) . . ?
C96 P4 Au3 116.09(8) . . ?
C107 P4 Au3 114.18(8) . . ?
C101 P4 Au3 109.47(8) . . ?
C5 C1 C2 104.92(19) . . ?
C5 C1 Au1 124.54(16) . . ?
C2 C1 Au1 115.53(16) . . ?
C5 C1 Fe1 67.22(12) . . ?
C2 C1 Fe1 68.25(13) . . ?
Au1 C1 Fe1 93.77(9) . . ?
C5 C1 Ag2 113.37(15) . . ?
C2 C1 Ag2 119.34(16) . . ?
Au1 C1 Ag2 78.29(7) . . ?
Fe1 C1 Ag2 170.76(12) . . ?
C3 C2 C1 109.5(2) . . ?
C3 C2 Fe1 69.47(14) . . ?
C1 C2 Fe1 70.98(13) . . ?
C3 C2 H2 125.2 . . ?
C1 C2 H2 125.2 . . ?
Fe1 C2 H2 125.9 . . ?
C2 C3 C4 107.9(2) . . ?
C2 C3 Fe1 70.18(13) . . ?
C4 C3 Fe1 69.65(14) . . ?
C2 C3 H3 126.1 . . ?
C4 C3 H3 126.1 . . ?
Fe1 C3 H3 125.7 . . ?
C5 C4 C3 107.9(2) . . ?
C5 C4 Fe1 69.16(13) . . ?
C3 C4 Fe1 69.70(14) . . ?
C5 C4 H4 126.0 . . ?
C3 C4 H4 126.0 . . ?
Fe1 C4 H4 126.7 . . ?
C4 C5 C1 109.7(2) . . ?
C4 C5 Fe1 70.32(14) . . ?
C1 C5 Fe1 71.82(13) . . ?
C4 C5 H5 125.2 . . ?
C1 C5 H5 125.2 . . ?
Fe1 C5 H5 124.3 . . ?
C10 C6 C7 107.5(2) . . ?
C10 C6 P1 129.20(18) . . ?
C7 C6 P1 123.26(17) . . ?
C10 C6 Fe1 69.30(13) . . ?
C7 C6 Fe1 71.09(13) . . ?
P1 C6 Fe1 123.44(12) . . ?
C8 C7 C6 107.9(2) . . ?
C8 C7 Fe1 69.53(13) . . ?
C6 C7 Fe1 67.96(13) . . ?
C8 C7 H7 126.1 . . ?
C6 C7 H7 126.1 . . ?
Fe1 C7 H7 128.0 . . ?
C9 C8 C7 108.1(2) . . ?
C9 C8 Fe1 69.00(13) . . ?
C7 C8 Fe1 70.25(13) . . ?
C9 C8 H8 125.9 . . ?
C7 C8 H8 125.9 . . ?
Fe1 C8 H8 126.4 . . ?
C8 C9 C10 108.6(2) . . ?
C8 C9 Fe1 70.62(13) . . ?
C10 C9 Fe1 69.12(13) . . ?
C8 C9 H9 125.7 . . ?
C10 C9 H9 125.7 . . ?
Fe1 C9 H9 126.1 . . ?
C9 C10 C6 107.9(2) . . ?
C9 C10 Fe1 70.09(13) . . ?
C6 C10 Fe1 69.44(13) . . ?
C9 C10 H10 126.1 . . ?
C6 C10 H10 126.1 . . ?
Fe1 C10 H10 126.0 . . ?
C16 C11 C12 119.2(2) . . ?
C16 C11 P1 121.12(19) . . ?
C12 C11 P1 119.60(18) . . ?
C13 C12 C11 120.2(2) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C14 C13 C12 120.0(2) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.5(2) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C16 119.6(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C15 C16 C11 120.5(2) . . ?
C15 C16 H16 119.8 . . ?
C11 C16 H16 119.8 . . ?
C22 C17 C18 119.7(2) . . ?
C22 C17 P1 119.60(18) . . ?
C18 C17 P1 120.67(19) . . ?
C19 C18 C17 120.0(2) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.0(2) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
C21 C20 C19 120.1(2) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.3(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C17 119.9(2) . . ?
C21 C22 H22 120.1 . . ?
C17 C22 H22 120.1 . . ?
C35 C31 C32 105.3(2) . . ?
C35 C31 Au3 125.61(17) . . ?
C32 C31 Au3 116.19(16) . . ?
C35 C31 Fe2 67.24(12) . . ?
C32 C31 Fe2 68.65(13) . . ?
Au3 C31 Fe2 96.13(9) . . ?
C35 C31 Ag2 108.03(15) . . ?
C32 C31 Ag2 122.27(16) . . ?
Au3 C31 Ag2 78.47(8) . . ?
Fe2 C31 Ag2 169.05(12) . . ?
C33 C32 C31 109.0(2) . . ?
C33 C32 Fe2 69.38(14) . . ?
C31 C32 Fe2 70.55(13) . . ?
C33 C32 H32 125.5 . . ?
C31 C32 H32 125.5 . . ?
Fe2 C32 H32 126.2 . . ?
C32 C33 C34 108.4(2) . . ?
C32 C33 Fe2 70.45(13) . . ?
C34 C33 Fe2 69.47(14) . . ?
C32 C33 H33 125.8 . . ?
C34 C33 H33 125.8 . . ?
Fe2 C33 H33 125.9 . . ?
C35 C34 C33 107.5(2) . . ?
C35 C34 Fe2 68.99(13) . . ?
C33 C34 Fe2 69.94(14) . . ?
C35 C34 H34 126.2 . . ?
C33 C34 H34 126.2 . . ?
Fe2 C34 H34 126.4 . . ?
C34 C35 C31 109.7(2) . . ?
C34 C35 Fe2 70.27(14) . . ?
C31 C35 Fe2 71.93(13) . . ?
C34 C35 H35 125.1 . . ?
C31 C35 H35 125.1 . . ?
Fe2 C35 H35 124.2 . . ?
C40 C36 C37 107.6(2) . . ?
C40 C36 P2 128.26(18) . . ?
C37 C36 P2 124.16(18) . . ?
C40 C36 Fe2 69.36(13) . . ?
C37 C36 Fe2 70.58(13) . . ?
P2 C36 Fe2 124.86(12) . . ?
C38 C37 C36 108.0(2) . . ?
C38 C37 Fe2 69.83(14) . . ?
C36 C37 Fe2 68.52(13) . . ?
C38 C37 H37 126.0 . . ?
C36 C37 H37 126.0 . . ?
Fe2 C37 H37 127.2 . . ?
C39 C38 C37 108.4(2) . . ?
C39 C38 Fe2 69.16(14) . . ?
C37 C38 Fe2 70.06(13) . . ?
C39 C38 H38 125.8 . . ?
C37 C38 H38 125.8 . . ?
Fe2 C38 H38 126.6 . . ?
C38 C39 C40 108.4(2) . . ?
C38 C39 Fe2 70.52(14) . . ?
C40 C39 Fe2 69.28(13) . . ?
C38 C39 H39 125.8 . . ?
C40 C39 H39 125.8 . . ?
Fe2 C39 H39 126.0 . . ?
C39 C40 C36 107.6(2) . . ?
C39 C40 Fe2 69.90(14) . . ?
C36 C40 Fe2 69.48(13) . . ?
C39 C40 H40 126.2 . . ?
C36 C40 H40 126.2 . . ?
Fe2 C40 H40 126.0 . . ?
C46 C41 C42 118.9(2) . . ?
C46 C41 P2 122.11(19) . . ?
C42 C41 P2 118.76(19) . . ?
C43 C42 C41 120.2(3) . . ?
C43 C42 H42 119.9 . . ?
C41 C42 H42 119.9 . . ?
C44 C43 C42 120.6(3) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C45 C44 C43 119.8(3) . . ?
C45 C44 H44 120.1 . . ?
C43 C44 H44 120.1 . . ?
C44 C45 C46 120.0(3) . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C41 C46 C45 120.6(3) . . ?
C41 C46 H46 119.7 . . ?
C45 C46 H46 119.7 . . ?
C52 C47 C48 119.5(2) . . ?
C52 C47 P2 119.06(18) . . ?
C48 C47 P2 121.49(18) . . ?
C49 C48 C47 119.7(2) . . ?
C49 C48 H48 120.1 . . ?
C47 C48 H48 120.1 . . ?
C50 C49 C48 120.6(2) . . ?
C50 C49 H49 119.7 . . ?
C48 C49 H49 119.7 . . ?
C49 C50 C51 120.0(2) . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C50 C51 C52 120.0(2) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 C47 120.2(2) . . ?
C51 C52 H52 119.9 . . ?
C47 C52 H52 119.9 . . ?
C62 C61 C65 105.1(2) . . ?
C62 C61 Au4 124.86(17) . . ?
C65 C61 Au4 115.53(16) . . ?
C62 C61 Fe3 67.11(12) . . ?
C65 C61 Fe3 68.46(13) . . ?
Au4 C61 Fe3 94.35(9) . . ?
C62 C61 Ag5 107.91(15) . . ?
C65 C61 Ag5 123.78(16) . . ?
Au4 C61 Ag5 79.20(7) . . ?
Fe3 C61 Ag5 167.68(12) . . ?
C63 C62 C61 109.6(2) . . ?
C63 C62 Fe3 70.25(14) . . ?
C61 C62 Fe3 72.05(13) . . ?
C63 C62 H62 125.2 . . ?
C61 C62 H62 125.2 . . ?
Fe3 C62 H62 124.1 . . ?
C62 C63 C64 107.7(2) . . ?
C62 C63 Fe3 69.05(13) . . ?
C64 C63 Fe3 70.13(15) . . ?
C62 C63 H63 126.1 . . ?
C64 C63 H63 126.1 . . ?
Fe3 C63 H63 126.2 . . ?
C65 C64 C63 108.4(2) . . ?
C65 C64 Fe3 70.33(14) . . ?
C63 C64 Fe3 69.40(14) . . ?
C65 C64 H64 125.8 . . ?
C63 C64 H64 125.8 . . ?
Fe3 C64 H64 126.1 . . ?
C64 C65 C61 109.1(2) . . ?
C64 C65 Fe3 69.56(14) . . ?
C61 C65 Fe3 70.72(13) . . ?
C64 C65 H65 125.5 . . ?
C61 C65 H65 125.5 . . ?
Fe3 C65 H65 125.8 . . ?
C67 C66 C70 107.5(2) . . ?
C67 C66 P3 128.06(18) . . ?
C70 C66 P3 124.45(18) . . ?
C67 C66 Fe3 69.35(13) . . ?
C70 C66 Fe3 71.16(13) . . ?
P3 C66 Fe3 123.56(12) . . ?
C68 C67 C66 107.9(2) . . ?
C68 C67 Fe3 70.03(14) . . ?
C66 C67 Fe3 69.55(13) . . ?
C68 C67 H67 126.0 . . ?
C66 C67 H67 126.0 . . ?
Fe3 C67 H67 126.0 . . ?
C67 C68 C69 108.6(2) . . ?
C67 C68 Fe3 69.35(13) . . ?
C69 C68 Fe3 70.99(14) . . ?
C67 C68 H68 125.7 . . ?
C69 C68 H68 125.7 . . ?
Fe3 C68 H68 125.5 . . ?
C70 C69 C68 108.0(2) . . ?
C70 C69 Fe3 70.20(13) . . ?
C68 C69 Fe3 68.63(14) . . ?
C70 C69 H69 126.0 . . ?
C68 C69 H69 126.0 . . ?
Fe3 C69 H69 126.7 . . ?
C69 C70 C66 108.1(2) . . ?
C69 C70 Fe3 69.90(14) . . ?
C66 C70 Fe3 68.05(13) . . ?
C69 C70 H70 126.0 . . ?
C66 C70 H70 126.0 . . ?
Fe3 C70 H70 127.6 . . ?
C72 C71 C76 119.3(2) . . ?
C72 C71 P3 121.75(19) . . ?
C76 C71 P3 118.89(18) . . ?
C73 C72 C71 119.3(3) . . ?
C73 C72 H72 120.3 . . ?
C71 C72 H72 120.3 . . ?
C74 C73 C72 121.0(3) . . ?
C74 C73 H73 119.5 . . ?
C72 C73 H73 119.5 . . ?
C73 C74 C75 120.0(3) . . ?
C73 C74 H74 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 C76 119.8(3) . . ?
C74 C75 H75 120.1 . . ?
C76 C75 H75 120.1 . . ?
C75 C76 C71 120.5(2) . . ?
C75 C76 H76 119.7 . . ?
C71 C76 H76 119.7 . . ?
C78 C77 C82 119.3(2) . . ?
C78 C77 P3 119.98(18) . . ?
C82 C77 P3 120.70(19) . . ?
C77 C78 C79 120.1(2) . . ?
C77 C78 H78 120.0 . . ?
C79 C78 H78 120.0 . . ?
C80 C79 C78 120.2(3) . . ?
C80 C79 H79 119.9 . . ?
C78 C79 H79 119.9 . . ?
C79 C80 C81 119.9(2) . . ?
C79 C80 H80 120.0 . . ?
C81 C80 H80 120.0 . . ?
C80 C81 C82 120.4(3) . . ?
C80 C81 H81 119.8 . . ?
C82 C81 H81 119.8 . . ?
C81 C82 C77 120.1(3) . . ?
C81 C82 H82 119.9 . . ?
C77 C82 H82 119.9 . . ?
C92 C91 C95 104.9(2) . . ?
C92 C91 Au6 124.45(16) . . ?
C95 C91 Au6 115.25(16) . . ?
C92 C91 Fe4 67.06(13) . . ?
C95 C91 Fe4 68.25(13) . . ?
Au6 C91 Fe4 93.44(9) . . ?
C92 C91 Ag5 113.51(16) . . ?
C95 C91 Ag5 119.22(16) . . ?
Au6 C91 Ag5 78.76(8) . . ?
Fe4 C91 Ag5 170.91(12) . . ?
C93 C92 C91 109.6(2) . . ?
C93 C92 Fe4 70.16(14) . . ?
C91 C92 Fe4 72.13(13) . . ?
C93 C92 H92 125.2 . . ?
C91 C92 H92 125.2 . . ?
Fe4 C92 H92 124.1 . . ?
C94 C93 C92 108.0(2) . . ?
C94 C93 Fe4 70.11(14) . . ?
C92 C93 Fe4 69.19(13) . . ?
C94 C93 H93 126.0 . . ?
C92 C93 H93 126.0 . . ?
Fe4 C93 H93 126.2 . . ?
C95 C94 C93 108.2(2) . . ?
C95 C94 Fe4 70.29(13) . . ?
C93 C94 Fe4 69.51(14) . . ?
C95 C94 H94 125.9 . . ?
C93 C94 H94 125.9 . . ?
Fe4 C94 H94 125.9 . . ?
C94 C95 C91 109.3(2) . . ?
C94 C95 Fe4 69.51(13) . . ?
C91 C95 Fe4 71.01(13) . . ?
C94 C95 H95 125.3 . . ?
C91 C95 H95 125.3 . . ?
Fe4 C95 H95 125.7 . . ?
C97 C96 C100 107.6(2) . . ?
C97 C96 P4 129.12(18) . . ?
C100 C96 P4 123.28(17) . . ?
C97 C96 Fe4 69.43(13) . . ?
C100 C96 Fe4 71.41(13) . . ?
P4 C96 Fe4 123.48(12) . . ?
C98 C97 C96 107.7(2) . . ?
C98 C97 Fe4 70.27(14) . . ?
C96 C97 Fe4 69.29(13) . . ?
C98 C97 H97 126.1 . . ?
C96 C97 H97 126.1 . . ?
Fe4 C97 H97 125.9 . . ?
C97 C98 C99 108.6(2) . . ?
C97 C98 Fe4 69.05(13) . . ?
C99 C98 Fe4 71.07(14) . . ?
C97 C98 H98 125.7 . . ?
C99 C98 H98 125.7 . . ?
Fe4 C98 H98 125.8 . . ?
C100 C99 C98 108.1(2) . . ?
C100 C99 Fe4 70.06(13) . . ?
C98 C99 Fe4 68.71(14) . . ?
C100 C99 H99 125.9 . . ?
C98 C99 H99 125.9 . . ?
Fe4 C99 H99 126.9 . . ?
C99 C100 C96 107.9(2) . . ?
C99 C100 Fe4 70.06(14) . . ?
C96 C100 Fe4 67.73(13) . . ?
C99 C100 H100 126.0 . . ?
C96 C100 H100 126.0 . . ?
Fe4 C100 H100 127.7 . . ?
C106 C101 C102 119.1(2) . . ?
C106 C101 P4 119.36(18) . . ?
C102 C101 P4 121.14(19) . . ?
C103 C102 C101 119.9(2) . . ?
C103 C102 H102 120.0 . . ?
C101 C102 H102 120.0 . . ?
C104 C103 C102 120.6(2) . . ?
C104 C103 H103 119.7 . . ?
C102 C103 H103 119.7 . . ?
C103 C104 C105 119.6(2) . . ?
C103 C104 H104 120.2 . . ?
C105 C104 H104 120.2 . . ?
C106 C105 C104 120.1(2) . . ?
C106 C105 H105 119.9 . . ?
C104 C105 H105 119.9 . . ?
C105 C106 C101 120.7(2) . . ?
C105 C106 H106 119.7 . . ?
C101 C106 H106 119.7 . . ?
C108 C107 C112 119.6(2) . . ?
C108 C107 P4 119.57(18) . . ?
C112 C107 P4 120.79(19) . . ?
C107 C108 C109 119.9(2) . . ?
C107 C108 H108 120.1 . . ?
C109 C108 H108 120.1 . . ?
C110 C109 C108 120.4(3) . . ?
C110 C109 H109 119.8 . . ?
C108 C109 H109 119.8 . . ?
C109 C110 C111 119.9(3) . . ?
C109 C110 H110 120.0 . . ?
C111 C110 H110 120.0 . . ?
C112 C111 C110 120.2(2) . . ?
C112 C111 H111 119.9 . . ?
C110 C111 H111 119.9 . . ?
C111 C112 C107 120.0(2) . . ?
C111 C112 H112 120.0 . . ?
C107 C112 H112 120.0 . . ?
F6 Sb1 F5 90.24(12) . . ?
F6 Sb1 F3 90.06(11) . . ?
F5 Sb1 F3 179.57(11) . . ?
F6 Sb1 F1 178.93(9) . . ?
F5 Sb1 F1 89.51(12) . . ?
F3 Sb1 F1 90.19(10) . . ?
F6 Sb1 F4 91.35(10) . . ?
F5 Sb1 F4 90.59(8) . . ?
F3 Sb1 F4 89.10(8) . . ?
F1 Sb1 F4 89.69(8) . . ?
F6 Sb1 F2 89.77(10) . . ?
F5 Sb1 F2 89.96(8) . . ?
F3 Sb1 F2 90.34(7) . . ?
F1 Sb1 F2 89.19(8) . . ?
F4 Sb1 F2 178.75(8) . . ?
F10 Sb2 F7 89.77(12) . . ?
F10 Sb2 F9 90.86(10) . . ?
F7 Sb2 F9 91.99(12) . . ?
F10 Sb2 F11 89.26(11) . . ?
F7 Sb2 F11 89.29(12) . . ?
F9 Sb2 F11 178.71(11) . . ?
F10 Sb2 F8 178.97(10) . . ?
F7 Sb2 F8 89.25(10) . . ?
F9 Sb2 F8 89.51(9) . . ?
F11 Sb2 F8 90.39(9) . . ?
F10 Sb2 F12 90.55(12) . . ?
F7 Sb2 F12 179.21(12) . . ?
F9 Sb2 F12 88.72(10) . . ?
F11 Sb2 F12 89.99(10) . . ?
F8 Sb2 F12 90.42(10) . . ?
C2S C1S Cl1S 108.7(2) . . ?
C2S C1S H1S1 110.0 . . ?
Cl1S C1S H1S1 110.0 . . ?
C2S C1S H1S2 110.0 . . ?
Cl1S C1S H1S2 110.0 . . ?
H1S1 C1S H1S2 108.3 . . ?
C1S C2S Cl2S 107.9(2) . . ?
C1S C2S H2S1 110.1 . . ?
Cl2S C2S H2S1 110.1 . . ?
C1S C2S H2S2 110.1 . . ?
Cl2S C2S H2S2 110.1 . . ?
H2S1 C2S H2S2 108.4 . . ?
N1S C3S C4S 173.9(7) . . ?
C3S C4S H4S1 109.5 . . ?
C3S C4S H4S2 109.5 . . ?
H4S1 C4S H4S2 109.5 . . ?
C3S C4S H4S3 109.5 . . ?
H4S1 C4S H4S3 109.5 . . ?
H4S2 C4S H4S3 109.5 . . ?
N2S C5S C6S 173.7(6) . . ?
C5S C6S H6S1 109.5 . . ?
C5S C6S H6S2 109.5 . . ?
H6S1 C6S H6S2 109.5 . . ?
C5S C6S H6S3 109.5 . . ?
H6S1 C6S H6S3 109.5 . . ?
H6S2 C6S H6S3 109.5 . . ?
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 2.086(2) . ?
Au1 P3 2.2844(6) . ?
Au1 Ag2 2.7356(2) . ?
Au1 Fe1 3.0536(4) . ?
Au1 Au4 3.2403(2) . ?
Ag2 C1 2.243(2) . ?
Ag2 C31 2.248(2) . ?
Ag2 Au3 2.7442(2) . ?
Au3 C31 2.086(2) . ?
Au3 P4 2.2879(6) . ?
Au3 Fe2 3.1107(4) . ?
Au3 Au6 3.1888(2) . ?
Au4 C61 2.077(2) . ?
Au4 P1 2.2867(6) . ?
Au4 Ag5 2.7760(2) . ?
Au4 Fe3 3.0633(4) . ?
Ag5 C91 2.268(2) . ?
Ag5 C61 2.272(2) . ?
Ag5 Au6 2.7652(2) . ?
Au6 C91 2.085(2) . ?
Au6 P2 2.2891(6) . ?
Au6 Fe4 3.0500(4) . ?
Fe1 C10 2.035(2) . ?
Fe1 C5 2.036(2) . ?
Fe1 C6 2.037(2) . ?
Fe1 C9 2.048(2) . ?
Fe1 C4 2.051(2) . ?
Fe1 C3 2.052(2) . ?
Fe1 C2 2.061(2) . ?
Fe1 C8 2.069(2) . ?
Fe1 C7 2.079(2) . ?
Fe1 C1 2.098(2) . ?
Fe2 C35 2.032(2) . ?
Fe2 C40 2.042(2) . ?
Fe2 C36 2.043(2) . ?
Fe2 C34 2.049(2) . ?
Fe2 C39 2.050(2) . ?
Fe2 C33 2.056(2) . ?
Fe2 C38 2.068(2) . ?
Fe2 C32 2.070(2) . ?
Fe2 C37 2.071(2) . ?
Fe2 C31 2.095(2) . ?
Fe3 C62 2.033(2) . ?
Fe3 C67 2.040(2) . ?
Fe3 C66 2.043(2) . ?
Fe3 C63 2.049(2) . ?
Fe3 C68 2.049(2) . ?
Fe3 C64 2.059(3) . ?
Fe3 C65 2.069(2) . ?
Fe3 C69 2.081(2) . ?
Fe3 C70 2.085(2) . ?
Fe3 C61 2.100(2) . ?
Fe4 C96 2.034(2) . ?
Fe4 C97 2.036(2) . ?
Fe4 C92 2.037(2) . ?
Fe4 C93 2.049(2) . ?
Fe4 C98 2.052(2) . ?
Fe4 C94 2.057(2) . ?
Fe4 C95 2.067(2) . ?
Fe4 C99 2.083(2) . ?
Fe4 C100 2.083(2) . ?
Fe4 C91 2.105(2) . ?
P1 C6 1.793(2) . ?
P1 C17 1.822(2) . ?
P1 C11 1.823(2) . ?
P2 C36 1.798(2) . ?
P2 C47 1.818(2) . ?
P2 C41 1.821(2) . ?
P3 C66 1.792(2) . ?
P3 C77 1.817(2) . ?
P3 C71 1.818(2) . ?
P4 C96 1.792(2) . ?
P4 C107 1.821(2) . ?
P4 C101 1.824(2) . ?
C1 C5 1.447(3) . ?
C1 C2 1.449(3) . ?
C2 C3 1.418(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.425(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.415(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C10 1.434(3) . ?
C6 C7 1.440(3) . ?
C7 C8 1.426(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.421(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.423(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.395(3) . ?
C11 C12 1.397(3) . ?
C12 C13 1.388(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.385(4) . ?
C13 H13 0.9500 . ?
C14 C15 1.388(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(4) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.396(3) . ?
C17 C18 1.397(3) . ?
C18 C19 1.390(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.392(4) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.392(4) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C31 C35 1.441(3) . ?
C31 C32 1.452(3) . ?
C32 C33 1.417(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.424(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.421(3) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C40 1.436(3) . ?
C36 C37 1.438(3) . ?
C37 C38 1.419(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.419(4) . ?
C38 H38 0.9500 . ?
C39 C40 1.427(3) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C46 1.390(3) . ?
C41 C42 1.392(4) . ?
C42 C43 1.383(4) . ?
C42 H42 0.9500 . ?
C43 C44 1.382(5) . ?
C43 H43 0.9500 . ?
C44 C45 1.377(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.393(4) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.392(3) . ?
C47 C48 1.394(3) . ?
C48 C49 1.391(4) . ?
C48 H48 0.9500 . ?
C49 C50 1.377(4) . ?
C49 H49 0.9500 . ?
C50 C51 1.383(4) . ?
C50 H50 0.9500 . ?
C51 C52 1.390(4) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C61 C62 1.444(3) . ?
C61 C65 1.454(3) . ?
C62 C63 1.420(3) . ?
C62 H62 0.9500 . ?
C63 C64 1.421(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.416(4) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C66 C67 1.433(3) . ?
C66 C70 1.439(3) . ?
C67 C68 1.419(3) . ?
C67 H67 0.9500 . ?
C68 C69 1.426(4) . ?
C68 H68 0.9500 . ?
C69 C70 1.421(3) . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C71 C72 1.393(3) . ?
C71 C76 1.394(3) . ?
C72 C73 1.389(4) . ?
C72 H72 0.9500 . ?
C73 C74 1.375(4) . ?
C73 H73 0.9500 . ?
C74 C75 1.380(4) . ?
C74 H74 0.9500 . ?
C75 C76 1.384(4) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C78 1.390(3) . ?
C77 C82 1.392(3) . ?
C78 C79 1.395(4) . ?
C78 H78 0.9500 . ?
C79 C80 1.380(4) . ?
C79 H79 0.9500 . ?
C80 C81 1.380(4) . ?
C80 H80 0.9500 . ?
C81 C82 1.389(4) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C91 C92 1.445(3) . ?
C91 C95 1.453(3) . ?
C92 C93 1.419(3) . ?
C92 H92 0.9500 . ?
C93 C94 1.418(4) . ?
C93 H93 0.9500 . ?
C94 C95 1.417(3) . ?
C94 H94 0.9500 . ?
C95 H95 0.9500 . ?
C96 C97 1.435(3) . ?
C96 C100 1.438(3) . ?
C97 C98 1.421(3) . ?
C97 H97 0.9500 . ?
C98 C99 1.422(3) . ?
C98 H98 0.9500 . ?
C99 C100 1.421(3) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
C101 C106 1.391(3) . ?
C101 C102 1.396(3) . ?
C102 C103 1.388(4) . ?
C102 H102 0.9500 . ?
C103 C104 1.385(4) . ?
C103 H103 0.9500 . ?
C104 C105 1.386(4) . ?
C104 H104 0.9500 . ?
C105 C106 1.383(3) . ?
C105 H105 0.9500 . ?
C106 H106 0.9500 . ?
C107 C108 1.394(3) . ?
C107 C112 1.398(3) . ?
C108 C109 1.395(4) . ?
C108 H108 0.9500 . ?
C109 C110 1.379(4) . ?
C109 H109 0.9500 . ?
C110 C111 1.393(4) . ?
C110 H110 0.9500 . ?
C111 C112 1.388(4) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
Sb1 F6 1.852(2) . ?
Sb1 F5 1.8656(19) . ?
Sb1 F3 1.8677(17) . ?
Sb1 F1 1.8683(19) . ?
Sb1 F4 1.8746(16) . ?
Sb1 F2 1.8803(15) . ?
Sb2 F10 1.862(2) . ?
Sb2 F7 1.863(2) . ?
Sb2 F9 1.8676(19) . ?
Sb2 F11 1.869(2) . ?
Sb2 F8 1.8696(17) . ?
Sb2 F12 1.8735(19) . ?
C1S C2S 1.486(5) . ?
C1S Cl1S 1.790(3) . ?
C1S H1S1 0.9900 . ?
C1S H1S2 0.9900 . ?
C2S Cl2S 1.809(4) . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
N1S C3S 1.115(6) . ?
C3S C4S 1.511(8) . ?
C4S H4S1 0.9800 . ?
C4S H4S2 0.9800 . ?
C4S H4S3 0.9800 . ?
N2S C5S 1.073(5) . ?
C5S C6S 1.454(6) . ?
C6S H6S1 0.9800 . ?
C6S H6S2 0.9800 . ?
C6S H6S3 0.9800 . ?
