#------------------------------------------------------------------------------
#$Date: 2021-02-05 00:41:39 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261556 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/76/7127636.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_7127636
loop_
_publ_author_name
'Takemoto, Shin'
'Yoshii, Kaname'
'Yamano, Takahiro'
'Tsurusaki, Akihiro'
'Matsuzaka, Hiroyuki'
_publ_section_title
;
 Metal-metal multiple bond formation induced by σ-acceptor Lewis acid
 ligands.
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              923
_journal_page_last               926
_journal_paper_doi               10.1039/d0cc07278h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C33 H42 Cl F3 N2 O3 Ru2 S Sn'
_chemical_formula_sum            'C33 H42 Cl F3 N2 O3 Ru2 S Sn'
_chemical_formula_weight         960.04
_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_update_record
;
2020-10-29 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.863(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   21.6780(5)
_cell_length_b                   15.5432(4)
_cell_length_c                   21.2981(5)
_cell_measurement_reflns_used    83583
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.06
_cell_volume                     7150.5(3)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1.1'
_computing_publication_material  'CrystalStructure 4.1.1 (Rigaku, 2015)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            102766
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.429
_diffrn_reflns_theta_min         3.094
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.711
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             3808.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.020
_refine_diff_density_max         4.80
_refine_diff_density_min         -2.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     829
_refine_ls_number_reflns         16257
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0322P)²+67.1088P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1149
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12506
_reflns_number_total             16257
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            d0cc07278h2.cif
_cod_data_source_block           Ru2SnClOTf-4
_cod_depositor_comments
'Adding full bibliography for 7127634--7127637.cif.'
_cod_database_code               7127636
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 +X,-1/2-Y,-1/2+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
Sn1 Sn 0.17047(2) 0.31436(2) 0.24510(2) 0.02264(9) Uani 1 1 d . . . . .
Sn2 Sn 0.32874(2) 0.66508(2) 0.25632(2) 0.02224(9) Uani 1 1 d . . . . .
Ru1 Ru 0.11354(2) 0.32368(2) 0.12373(2) 0.01600(9) Uani 1 1 d . . . . .
Ru2 Ru 0.16183(2) 0.18777(2) 0.15379(2) 0.01425(9) Uani 1 1 d . . . . .
Ru3 Ru 0.33894(2) 0.80005(2) 0.34056(2) 0.01503(9) Uani 1 1 d . . . . .
Ru4 Ru 0.38740(2) 0.66657(2) 0.37724(2) 0.01445(9) Uani 1 1 d . . . . .
Cl1 Cl 0.27763(7) 0.36393(11) 0.22229(8) 0.0400(4) Uani 1 1 d . . . . .
Cl2 Cl 0.22589(7) 0.60853(11) 0.28671(8) 0.0390(4) Uani 1 1 d . . . . .
S1 S 0.02492(9) 0.28535(16) 0.34078(8) 0.0496(5) Uani 1 1 d . . . . .
S2 S 0.47352(8) 0.74427(19) 0.15880(8) 0.0612(7) Uani 1 1 d . . . . .
F1 F -0.08166(19) 0.2242(4) 0.2921(2) 0.0589(13) Uani 1 1 d . . . . .
F2 F -0.0326(3) 0.1452(4) 0.3619(3) 0.0832(18) Uani 1 1 d . . . . .
F3 F -0.0793(2) 0.2566(3) 0.3903(2) 0.0600(13) Uani 1 1 d . . . . .
F4 F 0.5694(3) 0.6557(3) 0.1264(3) 0.0835(19) Uani 1 1 d . . . . .
F5 F 0.5771(2) 0.7890(3) 0.1168(3) 0.0679(15) Uani 1 1 d . . . . .
F6 F 0.5884(2) 0.7315(4) 0.20831(19) 0.0587(13) Uani 1 1 d . . . . .
O1 O 0.0514(2) 0.2480(4) 0.2883(2) 0.0431(12) Uani 1 1 d . . . . .
O2 O 0.0562(2) 0.2800(4) 0.3998(2) 0.0543(15) Uani 1 1 d . . . . .
O3 O -0.0008(5) 0.3720(4) 0.3244(4) 0.118(4) Uani 1 1 d . . . . .
O4 O 0.4586(3) 0.7025(7) 0.2101(3) 0.106(3) Uani 1 1 d . . . . .
O5 O 0.4455(2) 0.7237(3) 0.0982(2) 0.0416(11) Uani 1 1 d . . . . .
O6 O 0.4729(3) 0.8425(5) 0.1718(4) 0.088(2) Uani 1 1 d . . . . .
N1 N 0.06933(19) 0.2167(3) 0.1562(2) 0.0178(9) Uani 1 1 d . . . . .
H1 H 0.0589 0.2257 0.2006 0.021 Uiso 1 1 calc R U . . .
N2 N 0.2005(2) 0.2847(3) 0.1035(2) 0.0182(9) Uani 1 1 d . . . . .
H2 H 0.2326 0.3158 0.1314 0.022 Uiso 1 1 calc R U . . .
N3 N 0.43176(19) 0.7692(3) 0.33936(19) 0.0160(8) Uani 1 1 d . . . . .
H3 H 0.4420 0.7559 0.2955 0.019 Uiso 1 1 calc R U . . .
N4 N 0.3010(2) 0.7089(3) 0.3963(2) 0.0182(9) Uani 1 1 d . . . . .
H4 H 0.2688 0.6756 0.3702 0.022 Uiso 1 1 calc R U . . .
C1 C 0.0802(3) 0.4535(3) 0.1566(3) 0.0274(12) Uani 1 1 d . . . . .
C2 C 0.1245(3) 0.4643(4) 0.1112(3) 0.0328(14) Uani 1 1 d . . . . .
C3 C 0.0989(3) 0.4287(4) 0.0525(3) 0.0340(14) Uani 1 1 d . . . . .
C4 C 0.0397(3) 0.3938(4) 0.0614(3) 0.0280(13) Uani 1 1 d . . . . .
C5 C 0.0292(3) 0.4073(3) 0.1266(3) 0.0252(12) Uani 1 1 d . . . . .
C6 C 0.0837(4) 0.4897(4) 0.2219(3) 0.0421(17) Uani 1 1 d . . . . .
H6A H 0.1236 0.5184 0.2312 0.051 Uiso 1 1 calc R U . . .
H6B H 0.0501 0.5313 0.2251 0.051 Uiso 1 1 calc R U . . .
H6C H 0.0795 0.4430 0.2522 0.051 Uiso 1 1 calc R U . . .
C7 C 0.1834(4) 0.5155(5) 0.1192(4) 0.055(2) Uani 1 1 d . . . . .
H7A H 0.2049 0.5118 0.0807 0.066 Uiso 1 1 calc R U . . .
H7B H 0.1737 0.5757 0.1276 0.066 Uiso 1 1 calc R U . . .
H7C H 0.2101 0.4923 0.1547 0.066 Uiso 1 1 calc R U . . .
C8 C 0.1253(4) 0.4350(5) -0.0105(3) 0.051(2) Uani 1 1 d . . . . .
H8A H 0.1666 0.4612 -0.0050 0.061 Uiso 1 1 calc R U . . .
H8B H 0.1285 0.3773 -0.0285 0.061 Uiso 1 1 calc R U . . .
H8C H 0.0982 0.4706 -0.0390 0.061 Uiso 1 1 calc R U . . .
C9 C -0.0060(3) 0.3575(5) 0.0120(3) 0.0423(17) Uani 1 1 d . . . . .
H9A H -0.0429 0.3381 0.0316 0.051 Uiso 1 1 calc R U . . .
H9B H -0.0178 0.4020 -0.0194 0.051 Uiso 1 1 calc R U . . .
H9C H 0.0126 0.3087 -0.0086 0.051 Uiso 1 1 calc R U . . .
C10 C -0.0288(3) 0.3840(4) 0.1558(3) 0.0350(14) Uani 1 1 d . . . . .
H10A H -0.0565 0.3524 0.1251 0.042 Uiso 1 1 calc R U . . .
H10B H -0.0186 0.3478 0.1929 0.042 Uiso 1 1 calc R U . . .
H10C H -0.0495 0.4365 0.1684 0.042 Uiso 1 1 calc R U . . .
C11 C 0.1605(3) 0.0701(4) 0.2139(3) 0.0256(12) Uani 1 1 d . . . . .
C12 C 0.1559(3) 0.0439(3) 0.1481(3) 0.0241(11) Uani 1 1 d . . . . .
C13 C 0.2112(3) 0.0696(3) 0.1224(3) 0.0226(11) Uani 1 1 d . . . . .
C14 C 0.2499(3) 0.1114(3) 0.1713(3) 0.0240(11) Uani 1 1 d . . . . .
C15 C 0.2198(3) 0.1084(4) 0.2276(3) 0.0272(12) Uani 1 1 d . . . . .
C16 C 0.1145(4) 0.0509(4) 0.2601(3) 0.0434(18) Uani 1 1 d . . . . .
H16A H 0.0776 0.0246 0.2382 0.052 Uiso 1 1 calc R U . . .
H16B H 0.1328 0.0110 0.2921 0.052 Uiso 1 1 calc R U . . .
H16C H 0.1029 0.1043 0.2804 0.052 Uiso 1 1 calc R U . . .
C17 C 0.1056(3) -0.0092(4) 0.1159(3) 0.0369(15) Uani 1 1 d . . . . .
H17A H 0.0727 -0.0176 0.1442 0.044 Uiso 1 1 calc R U . . .
H17B H 0.0886 0.0202 0.0775 0.044 Uiso 1 1 calc R U . . .
H17C H 0.1223 -0.0653 0.1048 0.044 Uiso 1 1 calc R U . . .
C18 C 0.2279(3) 0.0484(4) 0.0571(3) 0.0339(14) Uani 1 1 d . . . . .
H18A H 0.2683 0.0734 0.0505 0.041 Uiso 1 1 calc R U . . .
H18B H 0.2297 -0.0142 0.0520 0.041 Uiso 1 1 calc R U . . .
H18C H 0.1965 0.0722 0.0260 0.041 Uiso 1 1 calc R U . . .
C19 C 0.3145(3) 0.1433(5) 0.1657(3) 0.0384(15) Uani 1 1 d . . . . .
H19A H 0.3244 0.1386 0.1217 0.046 Uiso 1 1 calc R U . . .
H19B H 0.3175 0.2036 0.1790 0.046 Uiso 1 1 calc R U . . .
H19C H 0.3438 0.1085 0.1925 0.046 Uiso 1 1 calc R U . . .
C20 C 0.2476(4) 0.1345(5) 0.2918(3) 0.0445(18) Uani 1 1 d . . . . .
H20A H 0.2171 0.1263 0.3227 0.053 Uiso 1 1 calc R U . . .
H20B H 0.2842 0.0991 0.3035 0.053 Uiso 1 1 calc R U . . .
H20C H 0.2597 0.1952 0.2911 0.053 Uiso 1 1 calc R U . . .
C21 C 0.0210(2) 0.1706(3) 0.1210(2) 0.0193(10) Uani 1 1 d . . . . .
C22 C -0.0282(3) 0.1383(4) 0.1522(3) 0.0259(12) Uani 1 1 d . . . . .
H22 H -0.0298 0.1490 0.1959 0.031 Uiso 1 1 calc R U . . .
C23 C -0.0746(3) 0.0908(4) 0.1200(3) 0.0335(14) Uani 1 1 d . . . . .
H23 H -0.1077 0.0691 0.1418 0.040 Uiso 1 1 calc R U . . .
C24 C -0.0730(3) 0.0747(4) 0.0561(3) 0.0345(14) Uani 1 1 d . . . . .
H24 H -0.1047 0.0415 0.0342 0.041 Uiso 1 1 calc R U . . .
C25 C -0.0245(3) 0.1077(4) 0.0243(3) 0.0291(12) Uani 1 1 d . . . . .
H25 H -0.0235 0.0974 -0.0195 0.035 Uiso 1 1 calc R U . . .
C26 C 0.0221(2) 0.1553(4) 0.0565(2) 0.0220(11) Uani 1 1 d . . . . .
H26 H 0.0550 0.1777 0.0345 0.026 Uiso 1 1 calc R U . . .
C27 C 0.2225(3) 0.2713(3) 0.0431(2) 0.0199(10) Uani 1 1 d . . . . .
C28 C 0.1850(3) 0.2382(4) -0.0075(2) 0.0237(11) Uani 1 1 d . . . . .
H28 H 0.1427 0.2257 -0.0030 0.028 Uiso 1 1 calc R U . . .
C29 C 0.2101(3) 0.2234(4) -0.0648(3) 0.0300(13) Uani 1 1 d . . . . .
H29 H 0.1845 0.2012 -0.0995 0.036 Uiso 1 1 calc R U . . .
C30 C 0.2720(3) 0.2409(4) -0.0715(3) 0.0298(13) Uani 1 1 d . . . . .
H30 H 0.2889 0.2287 -0.1102 0.036 Uiso 1 1 calc R U . . .
C31 C 0.3088(3) 0.2758(4) -0.0223(3) 0.0298(13) Uani 1 1 d . . . . .
H31 H 0.3508 0.2895 -0.0273 0.036 Uiso 1 1 calc R U . . .
C32 C 0.2840(3) 0.2910(4) 0.0353(3) 0.0253(12) Uani 1 1 d . . . . .
H32 H 0.3094 0.3151 0.0694 0.030 Uiso 1 1 calc R U . . .
C33 C -0.0468(4) 0.2328(6) 0.3453(4) 0.053(2) Uani 1 1 d . . . . .
C34 C 0.3230(3) 0.9406(3) 0.3640(2) 0.0223(11) Uani 1 1 d . . . . .
C35 C 0.2647(3) 0.8989(3) 0.3525(3) 0.0217(11) Uani 1 1 d . . . . .
C36 C 0.2590(3) 0.8681(4) 0.2884(3) 0.0259(12) Uani 1 1 d . . . . .
C37 C 0.3141(3) 0.8917(4) 0.2605(3) 0.0243(11) Uani 1 1 d . . . . .
C38 C 0.3536(3) 0.9356(3) 0.3071(3) 0.0220(11) Uani 1 1 d . . . . .
C39 C 0.3455(3) 0.9872(4) 0.4235(3) 0.0297(13) Uani 1 1 d . . . . .
H39A H 0.3871 1.0100 0.4193 0.036 Uiso 1 1 calc R U . . .
H39B H 0.3172 1.0347 0.4307 0.036 Uiso 1 1 calc R U . . .
H39C H 0.3468 0.9472 0.4591 0.036 Uiso 1 1 calc R U . . .
C40 C 0.2147(3) 0.8972(4) 0.3968(3) 0.0339(14) Uani 1 1 d . . . . .
H40A H 0.1793 0.8644 0.3778 0.041 Uiso 1 1 calc R U . . .
H40B H 0.2304 0.8699 0.4365 0.041 Uiso 1 1 calc R U . . .
H40C H 0.2016 0.9562 0.4052 0.041 Uiso 1 1 calc R U . . .
C41 C 0.2019(3) 0.8308(4) 0.2546(3) 0.0369(15) Uani 1 1 d . . . . .
H41A H 0.1709 0.8205 0.2847 0.044 Uiso 1 1 calc R U . . .
H41B H 0.1852 0.8712 0.2222 0.044 Uiso 1 1 calc R U . . .
H41C H 0.2122 0.7764 0.2348 0.044 Uiso 1 1 calc R U . . .
C42 C 0.3237(3) 0.8839(4) 0.1918(3) 0.0350(14) Uani 1 1 d . . . . .
H42A H 0.3652 0.9043 0.1845 0.042 Uiso 1 1 calc R U . . .
H42B H 0.3193 0.8236 0.1788 0.042 Uiso 1 1 calc R U . . .
H42C H 0.2927 0.9188 0.1671 0.042 Uiso 1 1 calc R U . . .
C43 C 0.4143(3) 0.9763(4) 0.2955(3) 0.0306(13) Uani 1 1 d . . . . .
H43A H 0.4327 1.0023 0.3346 0.037 Uiso 1 1 calc R U . . .
H43B H 0.4423 0.9323 0.2812 0.037 Uiso 1 1 calc R U . . .
H43C H 0.4076 1.0208 0.2631 0.037 Uiso 1 1 calc R U . . .
C44 C 0.4051(3) 0.5719(3) 0.4563(3) 0.0227(11) Uani 1 1 d . . . . .
C45 C 0.3757(3) 0.5281(3) 0.4020(3) 0.0244(11) Uani 1 1 d . . . . .
C46 C 0.4171(3) 0.5307(3) 0.3534(3) 0.0237(11) Uani 1 1 d . . . . .
C47 C 0.4702(3) 0.5795(3) 0.3760(2) 0.0205(11) Uani 1 1 d . . . . .
C48 C 0.4635(3) 0.6031(3) 0.4406(2) 0.0209(11) Uani 1 1 d . . . . .
C49 C 0.3815(3) 0.5756(4) 0.5207(3) 0.0357(15) Uani 1 1 d . . . . .
H49A H 0.3401 0.5499 0.5191 0.043 Uiso 1 1 calc R U . . .
H49B H 0.4096 0.5437 0.5507 0.043 Uiso 1 1 calc R U . . .
H49C H 0.3794 0.6357 0.5343 0.043 Uiso 1 1 calc R U . . .
C50 C 0.3163(3) 0.4790(4) 0.4006(4) 0.0411(16) Uani 1 1 d . . . . .
H50A H 0.2971 0.4886 0.4400 0.049 Uiso 1 1 calc R U . . .
H50B H 0.2882 0.4987 0.3650 0.049 Uiso 1 1 calc R U . . .
H50C H 0.3246 0.4175 0.3958 0.049 Uiso 1 1 calc R U . . .
C51 C 0.4100(3) 0.4852(4) 0.2909(3) 0.0347(14) Uani 1 1 d . . . . .
H51A H 0.4454 0.4987 0.2670 0.042 Uiso 1 1 calc R U . . .
H51B H 0.4081 0.4230 0.2979 0.042 Uiso 1 1 calc R U . . .
H51C H 0.3717 0.5044 0.2672 0.042 Uiso 1 1 calc R U . . .
C52 C 0.5262(3) 0.5951(4) 0.3411(3) 0.0281(12) Uani 1 1 d . . . . .
H52A H 0.5559 0.6305 0.3669 0.034 Uiso 1 1 calc R U . . .
H52B H 0.5454 0.5399 0.3319 0.034 Uiso 1 1 calc R U . . .
H52C H 0.5140 0.6251 0.3015 0.034 Uiso 1 1 calc R U . . .
C53 C 0.5114(3) 0.6448(4) 0.4847(3) 0.0311(13) Uani 1 1 d . . . . .
H53A H 0.5472 0.6602 0.4619 0.037 Uiso 1 1 calc R U . . .
H53B H 0.4941 0.6968 0.5024 0.037 Uiso 1 1 calc R U . . .
H53C H 0.5244 0.6048 0.5188 0.037 Uiso 1 1 calc R U . . .
C54 C 0.4802(2) 0.8176(3) 0.3722(2) 0.0168(10) Uani 1 1 d . . . . .
C55 C 0.5320(2) 0.8400(4) 0.3404(3) 0.0230(11) Uani 1 1 d . . . . .
H55 H 0.5355 0.8204 0.2986 0.028 Uiso 1 1 calc R U . . .
C56 C 0.5782(3) 0.8914(4) 0.3705(3) 0.0283(12) Uani 1 1 d . . . . .
H56 H 0.6131 0.9074 0.3491 0.034 Uiso 1 1 calc R U . . .
C57 C 0.5733(3) 0.9190(4) 0.4316(3) 0.0308(13) Uani 1 1 d . . . . .
H57 H 0.6046 0.9549 0.4517 0.037 Uiso 1 1 calc R U . . .
C58 C 0.5233(3) 0.8948(4) 0.4637(3) 0.0273(12) Uani 1 1 d . . . . .
H58 H 0.5210 0.9124 0.5062 0.033 Uiso 1 1 calc R U . . .
C59 C 0.4763(3) 0.8447(3) 0.4341(3) 0.0222(11) Uani 1 1 d . . . . .
H59 H 0.4417 0.8289 0.4560 0.027 Uiso 1 1 calc R U . . .
C60 C 0.2796(2) 0.7255(3) 0.4570(2) 0.0201(10) Uani 1 1 d . . . . .
C61 C 0.2208(3) 0.6974(4) 0.4685(3) 0.0279(12) Uani 1 1 d . . . . .
H61 H 0.1967 0.6655 0.4373 0.033 Uiso 1 1 calc R U . . .
C62 C 0.1974(3) 0.7159(4) 0.5256(3) 0.0362(15) Uani 1 1 d . . . . .
H62 H 0.1571 0.6968 0.5334 0.043 Uiso 1 1 calc R U . . .
C63 C 0.2325(3) 0.7624(4) 0.5716(3) 0.0319(14) Uani 1 1 d . . . . .
H63 H 0.2160 0.7758 0.6104 0.038 Uiso 1 1 calc R U . . .
C64 C 0.2915(3) 0.7889(4) 0.5607(3) 0.0274(12) Uani 1 1 d . . . . .
H64 H 0.3158 0.8198 0.5923 0.033 Uiso 1 1 calc R U . . .
C65 C 0.3153(3) 0.7704(4) 0.5033(3) 0.0242(11) Uani 1 1 d . . . . .
H65 H 0.3559 0.7886 0.4959 0.029 Uiso 1 1 calc R U . . .
C66 C 0.5553(3) 0.7285(4) 0.1525(3) 0.0303(13) 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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Sn Sn -0.6537 1.4246
;
International Tables for Crystallography
(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
Cl1 Sn1 Ru2 95.17(4) . . ?
Cl1 Sn1 Ru1 98.52(4) . . ?
Ru2 Sn1 Ru1 51.852(13) . . ?
Cl2 Sn2 Ru3 96.99(4) . . ?
Cl2 Sn2 Ru4 96.31(4) . . ?
Ru3 Sn2 Ru4 51.996(13) . . ?
N2 Ru1 N1 106.98(17) . . ?
N2 Ru1 C2 98.9(2) . . ?
N1 Ru1 C2 153.0(2) . . ?
N2 Ru1 C3 98.8(2) . . ?
N1 Ru1 C3 140.5(2) . . ?
C2 Ru1 C3 37.6(2) . . ?
N2 Ru1 C5 159.44(19) . . ?
N1 Ru1 C5 93.14(19) . . ?
C2 Ru1 C5 61.9(2) . . ?
C3 Ru1 C5 61.7(2) . . ?
N2 Ru1 C4 129.15(19) . . ?
N1 Ru1 C4 104.9(2) . . ?
C2 Ru1 C4 62.2(2) . . ?
C3 Ru1 C4 36.8(2) . . ?
C5 Ru1 C4 37.21(19) . . ?
N2 Ru1 C1 130.2(2) . . ?
N1 Ru1 C1 116.27(19) . . ?
C2 Ru1 C1 37.1(2) . . ?
C3 Ru1 C1 61.9(2) . . ?
C5 Ru1 C1 36.7(2) . . ?
C4 Ru1 C1 61.8(2) . . ?
N2 Ru1 Ru2 54.25(12) . . ?
N1 Ru1 Ru2 53.97(12) . . ?
C2 Ru1 Ru2 147.59(18) . . ?
C3 Ru1 Ru2 148.40(15) . . ?
C5 Ru1 Ru2 146.32(15) . . ?
C4 Ru1 Ru2 147.31(15) . . ?
C1 Ru1 Ru2 146.62(15) . . ?
N2 Ru1 Sn1 80.60(12) . . ?
N1 Ru1 Sn1 80.13(12) . . ?
C2 Ru1 Sn1 96.91(18) . . ?
C3 Ru1 Sn1 134.28(18) . . ?
C5 Ru1 Sn1 107.67(14) . . ?
C4 Ru1 Sn1 143.77(14) . . ?
C1 Ru1 Sn1 83.53(15) . . ?
Ru2 Ru1 Sn1 63.849(15) . . ?
N1 Ru2 N2 106.99(17) . . ?
N1 Ru2 C11 95.99(19) . . ?
N2 Ru2 C11 156.82(19) . . ?
N1 Ru2 C12 99.67(19) . . ?
N2 Ru2 C12 136.28(19) . . ?
C11 Ru2 C12 37.9(2) . . ?
N1 Ru2 C14 157.57(19) . . ?
N2 Ru2 C14 95.42(19) . . ?
C11 Ru2 C14 61.7(2) . . ?
C12 Ru2 C14 61.8(2) . . ?
N1 Ru2 C13 132.25(19) . . ?
N2 Ru2 C13 102.51(18) . . ?
C11 Ru2 C13 62.1(2) . . ?
C12 Ru2 C13 36.7(2) . . ?
C14 Ru2 C13 37.2(2) . . ?
N1 Ru2 C15 125.4(2) . . ?
N2 Ru2 C15 121.7(2) . . ?
C11 Ru2 C15 36.7(2) . . ?
C12 Ru2 C15 61.6(2) . . ?
C14 Ru2 C15 36.3(2) . . ?
C13 Ru2 C15 61.2(2) . . ?
N1 Ru2 Ru1 54.24(12) . . ?
N2 Ru2 Ru1 53.98(12) . . ?
C11 Ru2 Ru1 147.13(14) . . ?
C12 Ru2 Ru1 146.61(15) . . ?
C14 Ru2 Ru1 147.74(14) . . ?
C13 Ru2 Ru1 146.93(14) . . ?
C15 Ru2 Ru1 148.46(14) . . ?
N1 Ru2 Sn1 80.51(12) . . ?
N2 Ru2 Sn1 80.75(12) . . ?
C11 Ru2 Sn1 100.56(15) . . ?
C12 Ru2 Sn1 138.47(15) . . ?
C14 Ru2 Sn1 104.65(14) . . ?
C13 Ru2 Sn1 141.58(14) . . ?
C15 Ru2 Sn1 84.23(14) . . ?
Ru1 Ru2 Sn1 64.299(16) . . ?
N4 Ru3 N3 106.46(17) . . ?
N4 Ru3 C36 106.2(2) . . ?
N3 Ru3 C36 144.50(19) . . ?
N4 Ru3 C37 142.0(2) . . ?
N3 Ru3 C37 107.89(19) . . ?
C36 Ru3 C37 37.0(2) . . ?
N4 Ru3 C38 153.76(18) . . ?
N3 Ru3 C38 92.82(18) . . ?
C36 Ru3 C38 61.7(2) . . ?
C37 Ru3 C38 37.0(2) . . ?
N4 Ru3 C35 94.59(18) . . ?
N3 Ru3 C35 149.61(18) . . ?
C36 Ru3 C35 37.38(19) . . ?
C37 Ru3 C35 61.80(19) . . ?
C38 Ru3 C35 61.3(2) . . ?
N4 Ru3 C34 117.28(18) . . ?
N3 Ru3 C34 112.99(19) . . ?
C36 Ru3 C34 62.0(2) . . ?
C37 Ru3 C34 61.82(19) . . ?
C38 Ru3 C34 36.85(19) . . ?
C35 Ru3 C34 36.6(2) . . ?
N4 Ru3 Ru4 53.84(12) . . ?
N3 Ru3 Ru4 53.92(11) . . ?
C36 Ru3 Ru4 149.16(15) . . ?
C37 Ru3 Ru4 148.68(14) . . ?
C38 Ru3 Ru4 146.35(14) . . ?
C35 Ru3 Ru4 147.20(14) . . ?
C34 Ru3 Ru4 145.19(13) . . ?
N4 Ru3 Sn2 80.67(11) . . ?
N3 Ru3 Sn2 80.81(11) . . ?
C36 Ru3 Sn2 91.18(14) . . ?
C37 Ru3 Sn2 89.27(14) . . ?
C38 Ru3 Sn2 120.72(14) . . ?
C35 Ru3 Sn2 124.97(14) . . ?
C34 Ru3 Sn2 150.29(13) . . ?
Ru4 Ru3 Sn2 64.361(15) . . ?
N4 Ru4 N3 106.98(17) . . ?
N4 Ru4 C45 97.94(19) . . ?
N3 Ru4 C45 154.57(19) . . ?
N4 Ru4 C44 99.34(19) . . ?
N3 Ru4 C44 138.14(19) . . ?
C45 Ru4 C44 37.6(2) . . ?
N4 Ru4 C47 159.23(18) . . ?
N3 Ru4 C47 93.55(18) . . ?
C45 Ru4 C47 62.0(2) . . ?
C44 Ru4 C47 61.88(19) . . ?
N4 Ru4 C48 130.58(18) . . ?
N3 Ru4 C48 103.28(18) . . ?
C45 Ru4 C48 62.1(2) . . ?
C44 Ru4 C48 36.7(2) . . ?
C47 Ru4 C48 37.27(18) . . ?
N4 Ru4 C46 128.29(19) . . ?
N3 Ru4 C46 118.71(18) . . ?
C45 Ru4 C46 36.8(2) . . ?
C44 Ru4 C46 61.69(19) . . ?
C47 Ru4 C46 36.7(2) . . ?
C48 Ru4 C46 61.56(19) . . ?
N4 Ru4 Ru3 54.06(12) . . ?
N3 Ru4 Ru3 54.24(11) . . ?
C45 Ru4 Ru3 147.68(15) . . ?
C44 Ru4 Ru3 147.60(14) . . ?
C47 Ru4 Ru3 146.64(14) . . ?
C48 Ru4 Ru3 146.91(14) . . ?
C46 Ru4 Ru3 147.64(14) . . ?
N4 Ru4 Sn2 80.35(12) . . ?
N3 Ru4 Sn2 80.53(11) . . ?
C45 Ru4 Sn2 99.12(15) . . ?
C44 Ru4 Sn2 136.63(15) . . ?
C47 Ru4 Sn2 106.70(14) . . ?
C48 Ru4 Sn2 143.35(13) . . ?
C46 Ru4 Sn2 84.35(14) . . ?
Ru3 Ru4 Sn2 63.644(15) . . ?
O2 S1 O1 119.5(3) . . ?
O2 S1 O3 114.4(5) . . ?
O1 S1 O3 110.7(4) . . ?
O2 S1 C33 106.9(4) . . ?
O1 S1 C33 105.6(3) . . ?
O3 S1 C33 96.7(5) . . ?
O4 S2 O5 121.5(4) . . ?
O4 S2 O6 109.0(6) . . ?
O5 S2 O6 112.1(4) . . ?
O4 S2 C66 107.6(4) . . ?
O5 S2 C66 104.4(3) . . ?
O6 S2 C66 99.9(3) . . ?
C21 N1 Ru2 123.3(3) . . ?
C21 N1 Ru1 124.6(3) . . ?
Ru2 N1 Ru1 71.79(14) . . ?
C21 N1 H1 110.6 . . ?
Ru2 N1 H1 110.6 . . ?
Ru1 N1 H1 110.6 . . ?
C27 N2 Ru1 127.8(4) . . ?
C27 N2 Ru2 122.8(3) . . ?
Ru1 N2 Ru2 71.77(13) . . ?
C27 N2 H2 109.7 . . ?
Ru1 N2 H2 109.7 . . ?
Ru2 N2 H2 109.7 . . ?
C54 N3 Ru4 124.4(3) . . ?
C54 N3 Ru3 123.3(3) . . ?
Ru4 N3 Ru3 71.84(14) . . ?
C54 N3 H3 110.7 . . ?
Ru4 N3 H3 110.7 . . ?
Ru3 N3 H3 110.7 . . ?
C60 N4 Ru4 127.3(3) . . ?
C60 N4 Ru3 124.8(3) . . ?
Ru4 N4 Ru3 72.09(14) . . ?
C60 N4 H4 109.2 . . ?
Ru4 N4 H4 109.2 . . ?
Ru3 N4 H4 109.2 . . ?
C5 C1 C2 107.2(5) . . ?
C5 C1 C6 125.6(6) . . ?
C2 C1 C6 127.0(6) . . ?
C5 C1 Ru1 70.7(3) . . ?
C2 C1 Ru1 69.3(3) . . ?
C6 C1 Ru1 128.8(4) . . ?
C1 C2 C3 108.2(6) . . ?
C1 C2 C7 126.7(6) . . ?
C3 C2 C7 124.5(6) . . ?
C1 C2 Ru1 73.6(3) . . ?
C3 C2 Ru1 71.8(3) . . ?
C7 C2 Ru1 127.4(5) . . ?
C4 C3 C2 108.6(5) . . ?
C4 C3 C8 124.0(7) . . ?
C2 C3 C8 127.0(7) . . ?
C4 C3 Ru1 73.1(3) . . ?
C2 C3 Ru1 70.6(3) . . ?
C8 C3 Ru1 127.5(4) . . ?
C3 C4 C5 106.9(5) . . ?
C3 C4 C9 127.1(6) . . ?
C5 C4 C9 125.7(6) . . ?
C3 C4 Ru1 70.2(3) . . ?
C5 C4 Ru1 70.6(3) . . ?
C9 C4 Ru1 128.6(4) . . ?
C1 C5 C4 109.0(5) . . ?
C1 C5 C10 125.8(5) . . ?
C4 C5 C10 124.9(6) . . ?
C1 C5 Ru1 72.6(3) . . ?
C4 C5 Ru1 72.2(3) . . ?
C10 C5 Ru1 125.9(4) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C12 107.5(5) . . ?
C15 C11 C16 126.2(6) . . ?
C12 C11 C16 125.9(6) . . ?
C15 C11 Ru2 73.8(3) . . ?
C12 C11 Ru2 71.4(3) . . ?
C16 C11 Ru2 125.8(4) . . ?
C13 C12 C11 107.7(5) . . ?
C13 C12 C17 126.1(5) . . ?
C11 C12 C17 125.9(5) . . ?
C13 C12 Ru2 72.2(3) . . ?
C11 C12 Ru2 70.7(3) . . ?
C17 C12 Ru2 127.9(4) . . ?
C12 C13 C14 108.0(5) . . ?
C12 C13 C18 125.0(5) . . ?
C14 C13 C18 126.7(5) . . ?
C12 C13 Ru2 71.2(3) . . ?
C14 C13 Ru2 71.3(3) . . ?
C18 C13 Ru2 127.6(4) . . ?
C15 C14 C13 108.4(5) . . ?
C15 C14 C19 125.5(5) . . ?
C13 C14 C19 125.7(5) . . ?
C15 C14 Ru2 73.2(3) . . ?
C13 C14 Ru2 71.5(3) . . ?
C19 C14 Ru2 126.6(4) . . ?
C14 C15 C11 108.2(5) . . ?
C14 C15 C20 125.7(6) . . ?
C11 C15 C20 125.9(6) . . ?
C14 C15 Ru2 70.5(3) . . ?
C11 C15 Ru2 69.5(3) . . ?
C20 C15 Ru2 129.4(4) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 119.0(5) . . ?
C26 C21 N1 121.9(5) . . ?
C22 C21 N1 119.1(5) . . ?
C23 C22 C21 120.6(5) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 120.4(6) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C25 119.5(5) . . ?
C23 C24 H24 120.3 . . ?
C25 C24 H24 120.3 . . ?
C26 C25 C24 120.3(5) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C25 C26 C21 120.3(5) . . ?
C25 C26 H26 119.9 . . ?
C21 C26 H26 119.9 . . ?
C28 C27 C32 119.5(5) . . ?
C28 C27 N2 122.3(5) . . ?
C32 C27 N2 118.2(5) . . ?
C27 C28 C29 119.5(5) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C30 C29 C28 120.6(6) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C31 C30 C29 120.2(5) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 119.5(5) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
C27 C32 C31 120.7(6) . . ?
C27 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
F3 C33 F1 111.2(7) . . ?
F3 C33 F2 102.0(7) . . ?
F1 C33 F2 102.3(6) . . ?
F3 C33 S1 116.5(6) . . ?
F1 C33 S1 116.4(6) . . ?
F2 C33 S1 106.3(6) . . ?
C35 C34 C38 107.3(5) . . ?
C35 C34 C39 125.7(5) . . ?
C38 C34 C39 126.9(5) . . ?
C35 C34 Ru3 71.0(3) . . ?
C38 C34 Ru3 70.9(3) . . ?
C39 C34 Ru3 127.1(4) . . ?
C34 C35 C36 108.5(5) . . ?
C34 C35 C40 125.5(5) . . ?
C36 C35 C40 125.6(5) . . ?
C34 C35 Ru3 72.4(3) . . ?
C36 C35 Ru3 70.8(3) . . ?
C40 C35 Ru3 128.4(4) . . ?
C37 C36 C35 107.6(5) . . ?
C37 C36 C41 125.9(5) . . ?
C35 C36 C41 125.8(6) . . ?
C37 C36 Ru3 71.9(3) . . ?
C35 C36 Ru3 71.8(3) . . ?
C41 C36 Ru3 129.0(4) . . ?
C36 C37 C38 107.8(5) . . ?
C36 C37 C42 125.2(5) . . ?
C38 C37 C42 126.3(6) . . ?
C36 C37 Ru3 71.1(3) . . ?
C38 C37 Ru3 71.6(3) . . ?
C42 C37 Ru3 130.1(4) . . ?
C37 C38 C34 108.8(5) . . ?
C37 C38 C43 124.7(5) . . ?
C34 C38 C43 126.3(5) . . ?
C37 C38 Ru3 71.4(3) . . ?
C34 C38 Ru3 72.3(3) . . ?
C43 C38 Ru3 126.5(4) . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C36 C41 H41A 109.5 . . ?
C36 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C36 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C43 H43A 109.5 . . ?
C38 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C38 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C48 C44 C45 108.2(5) . . ?
C48 C44 C49 125.5(5) . . ?
C45 C44 C49 126.0(5) . . ?
C48 C44 Ru4 72.5(3) . . ?
C45 C44 Ru4 70.8(3) . . ?
C49 C44 Ru4 127.5(4) . . ?
C46 C45 C44 107.8(5) . . ?
C46 C45 C50 126.5(6) . . ?
C44 C45 C50 125.2(5) . . ?
C46 C45 Ru4 73.2(3) . . ?
C44 C45 Ru4 71.6(3) . . ?
C50 C45 Ru4 127.0(4) . . ?
C45 C46 C47 108.1(5) . . ?
C45 C46 C51 127.2(5) . . ?
C47 C46 C51 124.6(5) . . ?
C45 C46 Ru4 70.0(3) . . ?
C47 C46 Ru4 70.6(3) . . ?
C51 C46 Ru4 128.6(4) . . ?
C46 C47 C48 108.2(5) . . ?
C46 C47 C52 125.7(5) . . ?
C48 C47 C52 125.7(5) . . ?
C46 C47 Ru4 72.7(3) . . ?
C48 C47 Ru4 72.0(3) . . ?
C52 C47 Ru4 126.2(4) . . ?
C44 C48 C47 107.6(5) . . ?
C44 C48 C53 126.0(5) . . ?
C47 C48 C53 126.2(5) . . ?
C44 C48 Ru4 70.8(3) . . ?
C47 C48 Ru4 70.7(3) . . ?
C53 C48 Ru4 128.3(4) . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C59 C54 C55 119.8(5) . . ?
C59 C54 N3 121.4(5) . . ?
C55 C54 N3 118.7(5) . . ?
C56 C55 C54 119.5(5) . . ?
C56 C55 H55 120.2 . . ?
C54 C55 H55 120.2 . . ?
C57 C56 C55 120.1(5) . . ?
C57 C56 H56 119.9 . . ?
C55 C56 H56 119.9 . . ?
C58 C57 C56 120.4(5) . . ?
C58 C57 H57 119.8 . . ?
C56 C57 H57 119.8 . . ?
C57 C58 C59 120.2(5) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C58 C59 C54 119.9(5) . . ?
C58 C59 H59 120.1 . . ?
C54 C59 H59 120.1 . . ?
C61 C60 C65 119.7(5) . . ?
C61 C60 N4 118.4(5) . . ?
C65 C60 N4 121.8(5) . . ?
C62 C61 C60 120.0(6) . . ?
C62 C61 H61 120.0 . . ?
C60 C61 H61 120.0 . . ?
C61 C62 C63 120.4(6) . . ?
C61 C62 H62 119.8 . . ?
C63 C62 H62 119.8 . . ?
C64 C63 C62 119.8(5) . . ?
C64 C63 H63 120.1 . . ?
C62 C63 H63 120.1 . . ?
C63 C64 C65 120.1(6) . . ?
C63 C64 H64 120.0 . . ?
C65 C64 H64 120.0 . . ?
C60 C65 C64 120.0(5) . . ?
C60 C65 H65 120.0 . . ?
C64 C65 H65 120.0 . . ?
F4 C66 F5 105.3(6) . . ?
F4 C66 F6 106.3(5) . . ?
F5 C66 F6 107.1(6) . . ?
F4 C66 S2 114.6(5) . . ?
F5 C66 S2 110.3(4) . . ?
F6 C66 S2 112.7(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
Sn1 Cl1 2.5333(16) . ?
Sn1 Ru2 2.7617(5) . ?
Sn1 Ru1 2.7722(6) . ?
Sn2 Cl2 2.5312(16) . ?
Sn2 Ru3 2.7571(5) . ?
Sn2 Ru4 2.7740(6) . ?
Ru1 N2 2.060(4) . ?
Ru1 N1 2.067(4) . ?
Ru1 C2 2.217(6) . ?
Ru1 C3 2.233(6) . ?
Ru1 C5 2.249(5) . ?
Ru1 C4 2.270(5) . ?
Ru1 C1 2.274(5) . ?
Ru1 Ru2 2.4195(6) . ?
Ru2 N1 2.060(4) . ?
Ru2 N2 2.067(4) . ?
Ru2 C11 2.234(5) . ?
Ru2 C12 2.242(5) . ?
Ru2 C14 2.253(5) . ?
Ru2 C13 2.255(5) . ?
Ru2 C15 2.289(5) . ?
Ru3 N4 2.063(4) . ?
Ru3 N3 2.071(4) . ?
Ru3 C36 2.242(5) . ?
Ru3 C37 2.252(5) . ?
Ru3 C38 2.255(5) . ?
Ru3 C35 2.256(5) . ?
Ru3 C34 2.274(5) . ?
Ru3 Ru4 2.4245(5) . ?
Ru4 N4 2.057(4) . ?
Ru4 N3 2.062(4) . ?
Ru4 C45 2.235(5) . ?
Ru4 C44 2.245(5) . ?
Ru4 C47 2.249(5) . ?
Ru4 C48 2.267(5) . ?
Ru4 C46 2.277(5) . ?
S1 O2 1.379(5) . ?
S1 O1 1.422(5) . ?
S1 O3 1.488(7) . ?
S1 C33 1.767(8) . ?
S2 O4 1.334(7) . ?
S2 O5 1.416(5) . ?
S2 O6 1.551(7) . ?
S2 C66 1.806(6) . ?
F1 C33 1.314(9) . ?
F2 C33 1.434(11) . ?
F3 C33 1.290(8) . ?
F4 C66 1.308(7) . ?
F5 C66 1.322(7) . ?
F6 C66 1.337(7) . ?
N1 C21 1.428(7) . ?
N1 H1 1.0000 . ?
N2 C27 1.425(6) . ?
N2 H2 1.0000 . ?
N3 C54 1.426(6) . ?
N3 H3 1.0000 . ?
N4 C60 1.434(6) . ?
N4 H4 1.0000 . ?
C1 C5 1.424(8) . ?
C1 C2 1.429(9) . ?
C1 C6 1.497(8) . ?
C2 C3 1.434(9) . ?
C2 C7 1.502(9) . ?
C3 C4 1.420(9) . ?
C3 C8 1.507(8) . ?
C4 C5 1.442(7) . ?
C4 C9 1.492(9) . ?
C5 C10 1.494(8) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C15 1.425(8) . ?
C11 C12 1.454(8) . ?
C11 C16 1.490(8) . ?
C12 C13 1.416(8) . ?
C12 C17 1.489(8) . ?
C13 C14 1.437(8) . ?
C13 C18 1.504(7) . ?
C14 C15 1.415(8) . ?
C14 C19 1.499(8) . ?
C15 C20 1.502(8) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.396(7) . ?
C21 C22 1.398(7) . ?
C22 C23 1.381(8) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(9) . ?
C23 H23 0.9500 . ?
C24 C25 1.395(9) . ?
C24 H24 0.9500 . ?
C25 C26 1.387(8) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.391(8) . ?
C27 C32 1.392(7) . ?
C28 C29 1.397(7) . ?
C28 H28 0.9500 . ?
C29 C30 1.388(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.375(9) . ?
C30 H30 0.9500 . ?
C31 C32 1.400(8) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C34 C35 1.424(8) . ?
C34 C38 1.431(7) . ?
C34 C39 1.503(7) . ?
C35 C36 1.442(8) . ?
C35 C40 1.497(8) . ?
C36 C37 1.427(8) . ?
C36 C41 1.495(8) . ?
C37 C38 1.429(8) . ?
C37 C42 1.500(7) . ?
C38 C43 1.499(8) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C48 1.421(8) . ?
C44 C45 1.444(8) . ?
C44 C49 1.505(7) . ?
C45 C46 1.425(8) . ?
C45 C50 1.496(8) . ?
C46 C47 1.427(8) . ?
C46 C51 1.504(8) . ?
C47 C48 1.443(7) . ?
C47 C52 1.496(8) . ?
C48 C53 1.488(8) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 C59 1.393(7) . ?
C54 C55 1.403(7) . ?
C55 C56 1.395(8) . ?
C55 H55 0.9500 . ?
C56 C57 1.383(8) . ?
C56 H56 0.9500 . ?
C57 C58 1.382(8) . ?
C57 H57 0.9500 . ?
C58 C59 1.390(8) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 C61 1.388(8) . ?
C60 C65 1.390(8) . ?
C61 C62 1.388(8) . ?
C61 H61 0.9500 . ?
C62 C63 1.391(10) . ?
C62 H62 0.9500 . ?
C63 C64 1.381(9) . ?
C63 H63 0.9500 . ?
C64 C65 1.397(7) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 O1 . . . 2.914(6) 1.000 1.922 171.6 no
N2 H2 Cl1 . . . 3.161(4) 1.000 2.223 155.7 no
N3 H3 O4 . . . 3.043(8) 1.000 2.058 168.0 no
N4 H4 Cl2 . . . 3.144(4) 1.000 2.198 157.4 no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 C1 C2 C3 3.1(6) . . . . ?
C6 C1 C2 C3 -172.3(6) . . . . ?
Ru1 C1 C2 C3 64.0(4) . . . . ?
C5 C1 C2 C7 174.4(6) . . . . ?
C6 C1 C2 C7 -1.1(10) . . . . ?
Ru1 C1 C2 C7 -124.8(7) . . . . ?
C5 C1 C2 Ru1 -60.9(4) . . . . ?
C6 C1 C2 Ru1 123.7(6) . . . . ?
C1 C2 C3 C4 -1.6(7) . . . . ?
C7 C2 C3 C4 -173.1(6) . . . . ?
Ru1 C2 C3 C4 63.6(4) . . . . ?
C1 C2 C3 C8 171.9(6) . . . . ?
C7 C2 C3 C8 0.4(10) . . . . ?
Ru1 C2 C3 C8 -122.9(6) . . . . ?
C1 C2 C3 Ru1 -65.1(4) . . . . ?
C7 C2 C3 Ru1 123.3(7) . . . . ?
C2 C3 C4 C5 -0.6(6) . . . . ?
C8 C3 C4 C5 -174.3(5) . . . . ?
Ru1 C3 C4 C5 61.4(4) . . . . ?
C2 C3 C4 C9 174.0(6) . . . . ?
C8 C3 C4 C9 0.2(9) . . . . ?
Ru1 C3 C4 C9 -124.0(6) . . . . ?
C2 C3 C4 Ru1 -62.0(4) . . . . ?
C8 C3 C4 Ru1 124.2(6) . . . . ?
C2 C1 C5 C4 -3.5(6) . . . . ?
C6 C1 C5 C4 172.0(6) . . . . ?
Ru1 C1 C5 C4 -63.4(4) . . . . ?
C2 C1 C5 C10 -177.9(5) . . . . ?
C6 C1 C5 C10 -2.4(9) . . . . ?
Ru1 C1 C5 C10 122.1(6) . . . . ?
C2 C1 C5 Ru1 60.0(4) . . . . ?
C6 C1 C5 Ru1 -124.5(6) . . . . ?
C3 C4 C5 C1 2.5(6) . . . . ?
C9 C4 C5 C1 -172.1(5) . . . . ?
Ru1 C4 C5 C1 63.7(4) . . . . ?
C3 C4 C5 C10 177.1(5) . . . . ?
C9 C4 C5 C10 2.4(9) . . . . ?
Ru1 C4 C5 C10 -121.8(6) . . . . ?
C3 C4 C5 Ru1 -61.2(4) . . . . ?
C9 C4 C5 Ru1 124.2(6) . . . . ?
C15 C11 C12 C13 -2.3(6) . . . . ?
C16 C11 C12 C13 -175.6(5) . . . . ?
Ru2 C11 C12 C13 63.1(4) . . . . ?
C15 C11 C12 C17 171.2(5) . . . . ?
C16 C11 C12 C17 -2.1(9) . . . . ?
Ru2 C11 C12 C17 -123.4(6) . . . . ?
C15 C11 C12 Ru2 -65.4(4) . . . . ?
C16 C11 C12 Ru2 121.2(6) . . . . ?
C11 C12 C13 C14 0.0(6) . . . . ?
C17 C12 C13 C14 -173.5(5) . . . . ?
Ru2 C12 C13 C14 62.2(4) . . . . ?
C11 C12 C13 C18 174.6(5) . . . . ?
C17 C12 C13 C18 1.1(9) . . . . ?
Ru2 C12 C13 C18 -123.2(5) . . . . ?
C11 C12 C13 Ru2 -62.2(4) . . . . ?
C17 C12 C13 Ru2 124.3(6) . . . . ?
C12 C13 C14 C15 2.3(6) . . . . ?
C18 C13 C14 C15 -172.2(5) . . . . ?
Ru2 C13 C14 C15 64.4(4) . . . . ?
C12 C13 C14 C19 175.7(5) . . . . ?
C18 C13 C14 C19 1.2(9) . . . . ?
Ru2 C13 C14 C19 -122.2(6) . . . . ?
C12 C13 C14 Ru2 -62.1(4) . . . . ?
C18 C13 C14 Ru2 123.5(6) . . . . ?
C13 C14 C15 C11 -3.7(6) . . . . ?
C19 C14 C15 C11 -177.1(5) . . . . ?
Ru2 C14 C15 C11 59.5(4) . . . . ?
C13 C14 C15 C20 171.7(5) . . . . ?
C19 C14 C15 C20 -1.7(9) . . . . ?
Ru2 C14 C15 C20 -125.0(6) . . . . ?
C13 C14 C15 Ru2 -63.2(4) . . . . ?
C19 C14 C15 Ru2 123.4(6) . . . . ?
C12 C11 C15 C14 3.7(6) . . . . ?
C16 C11 C15 C14 177.0(5) . . . . ?
Ru2 C11 C15 C14 -60.1(4) . . . . ?
C12 C11 C15 C20 -171.7(5) . . . . ?
C16 C11 C15 C20 1.6(9) . . . . ?
Ru2 C11 C15 C20 124.5(6) . . . . ?
C12 C11 C15 Ru2 63.8(4) . . . . ?
C16 C11 C15 Ru2 -122.8(6) . . . . ?
Ru2 N1 C21 C26 -50.6(6) . . . . ?
Ru1 N1 C21 C26 39.3(7) . . . . ?
Ru2 N1 C21 C22 128.1(5) . . . . ?
Ru1 N1 C21 C22 -141.9(4) . . . . ?
C26 C21 C22 C23 1.0(9) . . . . ?
N1 C21 C22 C23 -177.8(5) . . . . ?
C21 C22 C23 C24 -0.1(10) . . . . ?
C22 C23 C24 C25 -0.8(10) . . . . ?
C23 C24 C25 C26 0.8(10) . . . . ?
C24 C25 C26 C21 0.1(9) . . . . ?
C22 C21 C26 C25 -1.0(8) . . . . ?
N1 C21 C26 C25 177.7(5) . . . . ?
Ru1 N2 C27 C28 -35.5(7) . . . . ?
Ru2 N2 C27 C28 56.2(6) . . . . ?
Ru1 N2 C27 C32 145.5(4) . . . . ?
Ru2 N2 C27 C32 -122.8(5) . . . . ?
C32 C27 C28 C29 1.5(8) . . . . ?
N2 C27 C28 C29 -177.5(5) . . . . ?
C27 C28 C29 C30 0.5(9) . . . . ?
C28 C29 C30 C31 -2.2(9) . . . . ?
C29 C30 C31 C32 2.0(9) . . . . ?
C28 C27 C32 C31 -1.7(8) . . . . ?
N2 C27 C32 C31 177.3(5) . . . . ?
C30 C31 C32 C27 -0.1(9) . . . . ?
O2 S1 C33 F3 51.5(8) . . . . ?
O1 S1 C33 F3 179.7(7) . . . . ?
O3 S1 C33 F3 -66.5(8) . . . . ?
O2 S1 C33 F1 -174.3(6) . . . . ?
O1 S1 C33 F1 -46.1(8) . . . . ?
O3 S1 C33 F1 67.6(7) . . . . ?
O2 S1 C33 F2 -61.2(6) . . . . ?
O1 S1 C33 F2 67.0(5) . . . . ?
O3 S1 C33 F2 -179.3(5) . . . . ?
C38 C34 C35 C36 0.0(6) . . . . ?
C39 C34 C35 C36 175.5(5) . . . . ?
Ru3 C34 C35 C36 -61.9(4) . . . . ?
C38 C34 C35 C40 -173.1(5) . . . . ?
C39 C34 C35 C40 2.4(9) . . . . ?
Ru3 C34 C35 C40 125.0(5) . . . . ?
C38 C34 C35 Ru3 61.9(4) . . . . ?
C39 C34 C35 Ru3 -122.5(5) . . . . ?
C34 C35 C36 C37 -0.4(6) . . . . ?
C40 C35 C36 C37 172.6(5) . . . . ?
Ru3 C35 C36 C37 -63.4(4) . . . . ?
C34 C35 C36 C41 -171.6(5) . . . . ?
C40 C35 C36 C41 1.5(9) . . . . ?
Ru3 C35 C36 C41 125.4(6) . . . . ?
C34 C35 C36 Ru3 62.9(4) . . . . ?
C40 C35 C36 Ru3 -124.0(5) . . . . ?
C35 C36 C37 C38 0.7(6) . . . . ?
C41 C36 C37 C38 171.9(5) . . . . ?
Ru3 C36 C37 C38 -62.6(4) . . . . ?
C35 C36 C37 C42 -170.4(5) . . . . ?
C41 C36 C37 C42 0.8(9) . . . . ?
Ru3 C36 C37 C42 126.3(5) . . . . ?
C35 C36 C37 Ru3 63.4(4) . . . . ?
C41 C36 C37 Ru3 -125.5(6) . . . . ?
C36 C37 C38 C34 -0.8(6) . . . . ?
C42 C37 C38 C34 170.2(5) . . . . ?
Ru3 C37 C38 C34 -63.1(4) . . . . ?
C36 C37 C38 C43 -175.7(5) . . . . ?
C42 C37 C38 C43 -4.7(9) . . . . ?
Ru3 C37 C38 C43 122.1(5) . . . . ?
C36 C37 C38 Ru3 62.3(4) . . . . ?
C42 C37 C38 Ru3 -126.7(6) . . . . ?
C35 C34 C38 C37 0.5(6) . . . . ?
C39 C34 C38 C37 -175.0(5) . . . . ?
Ru3 C34 C38 C37 62.5(4) . . . . ?
C35 C34 C38 C43 175.3(5) . . . . ?
C39 C34 C38 C43 -0.2(9) . . . . ?
Ru3 C34 C38 C43 -122.7(5) . . . . ?
C35 C34 C38 Ru3 -62.0(4) . . . . ?
C39 C34 C38 Ru3 122.5(5) . . . . ?
C48 C44 C45 C46 1.5(6) . . . . ?
C49 C44 C45 C46 -172.3(5) . . . . ?
Ru4 C44 C45 C46 64.7(4) . . . . ?
C48 C44 C45 C50 174.0(5) . . . . ?
C49 C44 C45 C50 0.2(9) . . . . ?
Ru4 C44 C45 C50 -122.8(6) . . . . ?
C48 C44 C45 Ru4 -63.2(4) . . . . ?
C49 C44 C45 Ru4 122.9(5) . . . . ?
C44 C45 C46 C47 -3.1(6) . . . . ?
C50 C45 C46 C47 -175.5(5) . . . . ?
Ru4 C45 C46 C47 60.6(4) . . . . ?
C44 C45 C46 C51 172.5(5) . . . . ?
C50 C45 C46 C51 0.1(9) . . . . ?
Ru4 C45 C46 C51 -123.8(6) . . . . ?
C44 C45 C46 Ru4 -63.7(4) . . . . ?
C50 C45 C46 Ru4 123.9(6) . . . . ?
C45 C46 C47 C48 3.5(6) . . . . ?
C51 C46 C47 C48 -172.3(5) . . . . ?
Ru4 C46 C47 C48 63.7(3) . . . . ?
C45 C46 C47 C52 177.3(5) . . . . ?
C51 C46 C47 C52 1.5(9) . . . . ?
Ru4 C46 C47 C52 -122.5(5) . . . . ?
C45 C46 C47 Ru4 -60.2(4) . . . . ?
C51 C46 C47 Ru4 124.0(5) . . . . ?
C45 C44 C48 C47 0.6(6) . . . . ?
C49 C44 C48 C47 174.5(5) . . . . ?
Ru4 C44 C48 C47 -61.5(3) . . . . ?
C45 C44 C48 C53 -173.9(5) . . . . ?
C49 C44 C48 C53 0.0(8) . . . . ?
Ru4 C44 C48 C53 123.9(5) . . . . ?
C45 C44 C48 Ru4 62.1(4) . . . . ?
C49 C44 C48 Ru4 -124.0(5) . . . . ?
C46 C47 C48 C44 -2.6(6) . . . . ?
C52 C47 C48 C44 -176.3(5) . . . . ?
Ru4 C47 C48 C44 61.6(3) . . . . ?
C46 C47 C48 C53 172.0(5) . . . . ?
C52 C47 C48 C53 -1.8(8) . . . . ?
Ru4 C47 C48 C53 -123.9(5) . . . . ?
C46 C47 C48 Ru4 -64.1(4) . . . . ?
C52 C47 C48 Ru4 122.1(5) . . . . ?
Ru4 N3 C54 C59 -44.8(6) . . . . ?
Ru3 N3 C54 C59 45.0(6) . . . . ?
Ru4 N3 C54 C55 136.9(4) . . . . ?
Ru3 N3 C54 C55 -133.3(4) . . . . ?
C59 C54 C55 C56 -1.9(8) . . . . ?
N3 C54 C55 C56 176.5(5) . . . . ?
C54 C55 C56 C57 0.8(9) . . . . ?
C55 C56 C57 C58 1.2(9) . . . . ?
C56 C57 C58 C59 -2.1(9) . . . . ?
C57 C58 C59 C54 1.0(9) . . . . ?
C55 C54 C59 C58 1.0(8) . . . . ?
N3 C54 C59 C58 -177.3(5) . . . . ?
Ru4 N4 C60 C61 -136.8(4) . . . . ?
Ru3 N4 C60 C61 129.9(5) . . . . ?
Ru4 N4 C60 C65 44.8(7) . . . . ?
Ru3 N4 C60 C65 -48.5(7) . . . . ?
C65 C60 C61 C62 1.5(9) . . . . ?
N4 C60 C61 C62 -176.9(5) . . . . ?
C60 C61 C62 C63 -0.3(9) . . . . ?
C61 C62 C63 C64 -1.0(9) . . . . ?
C62 C63 C64 C65 1.1(9) . . . . ?
C61 C60 C65 C64 -1.5(8) . . . . ?
N4 C60 C65 C64 176.9(5) . . . . ?
C63 C64 C65 C60 0.2(8) . . . . ?
O4 S2 C66 F4 82.3(7) . . . . ?
O5 S2 C66 F4 -48.0(6) . . . . ?
O6 S2 C66 F4 -164.0(6) . . . . ?
O4 S2 C66 F5 -159.1(6) . . . . ?
O5 S2 C66 F5 70.5(5) . . . . ?
O6 S2 C66 F5 -45.5(6) . . . . ?
O4 S2 C66 F6 -39.5(7) . . . . ?
O5 S2 C66 F6 -169.8(5) . . . . ?
O6 S2 C66 F6 74.2(6) . . . . ?
