# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelxl
_database_code_depnum_ccdc_archive 'CCDC 2041261'
loop_
_audit_author_name
_audit_author_address
'Shin Takemoto'
;Osaka Prefecture University
Japan
;
_audit_update_record             
;
2020-10-29 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H42 Cl2 N2 Ru2 Zn'
_chemical_formula_weight         793.09

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'
N N 0.0061 0.0033 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbca

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, z'
'x, -y+1/2, z+1/2'
'-x+1/2, -y, z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, -z'
'-x, y-1/2, -z-1/2'
'x-1/2, y, -z-1/2'

_cell_length_a                   17.836(4)
_cell_length_b                   18.860(3)
_cell_length_c                   19.709(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     6630(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    41421
_cell_measurement_theta_min      3.08
_cell_measurement_theta_max      27.45

_exptl_crystal_description       plate
_exptl_crystal_colour            'dark red'
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3200
_exptl_absorpt_coefficient_mu    1.802
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4661
_exptl_absorpt_correction_T_max  0.7146
_exptl_absorpt_process_details   abscor

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'rigaku r-axis rapid'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56481
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0198
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         3.08
_diffrn_reflns_theta_max         27.48
_reflns_number_total             7479
_reflns_number_gt                6163
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'rigaku process auto'
_computing_cell_refinement       'rigaku process auto'
_computing_data_reduction        'rigaku process auto'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0358P)²+2.8534P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7479
_refine_ls_number_parameters     352
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0256
_refine_ls_wR_factor_ref         0.0666
_refine_ls_wR_factor_gt          0.0619
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.016
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.259929(10) 0.156570(9) 0.372592(9) 0.03176(5) Uani 1 1 d . . .
Ru2 Ru 0.148868(10) 0.187890(9) 0.436450(9) 0.03358(6) Uani 1 1 d . . .
Zn1 Zn 0.219458(19) 0.288900(15) 0.373634(16) 0.04677(8) Uani 1 1 d . . .
Cl1 Cl 0.16153(6) 0.32109(4) 0.27738(5) 0.0770(3) Uani 1 1 d . . .
Cl2 Cl 0.28621(5) 0.36411(5) 0.43618(5) 0.0756(2) Uani 1 1 d . . .
N1 N 0.15138(11) 0.15232(10) 0.33744(10) 0.0364(4) Uani 1 1 d . . .
H1 H 0.1427 0.1890 0.3085 0.044 Uiso 1 1 calc R . .
N2 N 0.25431(11) 0.17377(10) 0.47554(9) 0.0367(4) Uani 1 1 d . . .
H2 H 0.2751 0.2164 0.4861 0.044 Uiso 1 1 calc R . .
C1 C 0.11181(13) 0.09100(12) 0.31511(12) 0.0394(5) Uani 1 1 d . . .
C2 C 0.12041(16) 0.02605(13) 0.34629(15) 0.0497(6) Uani 1 1 d . . .
H2A H 0.1544 0.0213 0.3818 0.060 Uiso 1 1 calc R . .
C3 C 0.07920(17) -0.03186(15) 0.32552(17) 0.0612(8) Uani 1 1 d . . .
H3 H 0.0857 -0.0753 0.3471 0.073 Uiso 1 1 calc R . .
C4 C 0.02870(18) -0.02606(18) 0.27320(18) 0.0714(9) Uani 1 1 d . . .
H4 H 0.0007 -0.0651 0.2595 0.086 Uiso 1 1 calc R . .
C5 C 0.02026(18) 0.03792(19) 0.24158(17) 0.0719(9) Uani 1 1 d . . .
H5 H -0.0141 0.0423 0.2063 0.086 Uiso 1 1 calc R . .
C6 C 0.06211(16) 0.09653(16) 0.26111(14) 0.0552(7) Uani 1 1 d . . .
H6 H 0.0569 0.1393 0.2381 0.066 Uiso 1 1 calc R . .
C7 C 0.27490(13) 0.12202(13) 0.52484(11) 0.0403(5) Uani 1 1 d . . .
C8 C 0.32091(19) 0.14103(18) 0.57820(15) 0.0618(8) Uani 1 1 d . . .
H8 H 0.3361 0.1880 0.5829 0.074 Uiso 1 1 calc R . .
C9 C 0.3446(2) 0.0912(2) 0.62458(17) 0.0814(11) Uani 1 1 d . . .
H9 H 0.3760 0.1044 0.6600 0.098 Uiso 1 1 calc R . .
C10 C 0.3217(2) 0.0217(2) 0.61837(17) 0.0780(10) Uani 1 1 d . . .
H10 H 0.3381 -0.0121 0.6493 0.094 Uiso 1 1 calc R . .
C11 C 0.27468(19) 0.00255(17) 0.56675(15) 0.0633(8) Uani 1 1 d . . .
H11 H 0.2586 -0.0442 0.5630 0.076 Uiso 1 1 calc R . .
C12 C 0.25093(16) 0.05236(14) 0.52009(13) 0.0501(6) Uani 1 1 d . . .
H12 H 0.2187 0.0390 0.4853 0.060 Uiso 1 1 calc R . .
C13 C 0.35363(15) 0.19763(14) 0.30626(14) 0.0493(6) Uani 1 1 d . . .
C14 C 0.38293(15) 0.16647(19) 0.36592(14) 0.0576(8) Uani 1 1 d . . .
C15 C 0.36438(16) 0.09292(17) 0.36585(14) 0.0561(7) Uani 1 1 d . . .
C16 C 0.32172(15) 0.07857(13) 0.30758(14) 0.0495(6) Uani 1 1 d . . .
C17 C 0.31363(15) 0.14386(13) 0.27139(12) 0.0443(6) Uani 1 1 d . . .
C18 C 0.3694(2) 0.27077(17) 0.2815(2) 0.0857(12) Uani 1 1 d . . .
H18A H 0.3721 0.3026 0.3195 0.103 Uiso 1 1 calc R . .
H18B H 0.3300 0.2857 0.2516 0.103 Uiso 1 1 calc R . .
H18C H 0.4163 0.2712 0.2576 0.103 Uiso 1 1 calc R . .
C19 C 0.4312(2) 0.2043(3) 0.4170(2) 0.1066(16) Uani 1 1 d . . .
H19A H 0.4823 0.1891 0.4120 0.128 Uiso 1 1 calc R . .
H19B H 0.4140 0.1933 0.4620 0.128 Uiso 1 1 calc R . .
H19C H 0.4281 0.2545 0.4097 0.128 Uiso 1 1 calc R . .
C20 C 0.3933(2) 0.0388(2) 0.4156(2) 0.1042(16) Uani 1 1 d . . .
H20A H 0.3567 0.0020 0.4213 0.125 Uiso 1 1 calc R . .
H20B H 0.4025 0.0612 0.4585 0.125 Uiso 1 1 calc R . .
H20C H 0.4391 0.0187 0.3987 0.125 Uiso 1 1 calc R . .
C21 C 0.2969(2) 0.00755(17) 0.2840(2) 0.0847(12) Uani 1 1 d . . .
H21A H 0.3351 -0.0129 0.2557 0.102 Uiso 1 1 calc R . .
H21B H 0.2513 0.0122 0.2585 0.102 Uiso 1 1 calc R . .
H21C H 0.2884 -0.0226 0.3225 0.102 Uiso 1 1 calc R . .
C22 C 0.2741(2) 0.1527(2) 0.20454(15) 0.0729(10) Uani 1 1 d . . .
H22A H 0.2554 0.2003 0.2008 0.087 Uiso 1 1 calc R . .
H22B H 0.2330 0.1199 0.2019 0.087 Uiso 1 1 calc R . .
H22C H 0.3086 0.1436 0.1682 0.087 Uiso 1 1 calc R . .
C23 C 0.03330(15) 0.16049(15) 0.47242(16) 0.0549(7) Uani 1 1 d . . .
C24 C 0.03078(15) 0.22454(16) 0.43365(14) 0.0533(7) Uani 1 1 d . . .
C25 C 0.07253(16) 0.27683(14) 0.46763(15) 0.0546(7) Uani 1 1 d . . .
C26 C 0.10451(15) 0.24443(16) 0.52612(14) 0.0536(7) Uani 1 1 d . . .
C27 C 0.07877(16) 0.17255(16) 0.52913(15) 0.0550(7) Uani 1 1 d . . .
C28 C -0.01186(19) 0.09504(18) 0.4578(2) 0.0884(12) Uani 1 1 d . . .
H28A H -0.0616 0.1008 0.4755 0.106 Uiso 1 1 calc R . .
H28B H 0.0115 0.0548 0.4789 0.106 Uiso 1 1 calc R . .
H28C H -0.0143 0.0876 0.4097 0.106 Uiso 1 1 calc R . .
C29 C -0.0137(2) 0.2362(2) 0.36990(18) 0.0862(12) Uani 1 1 d . . .
H29A H -0.0631 0.2523 0.3814 0.103 Uiso 1 1 calc R . .
H29B H -0.0171 0.1925 0.3451 0.103 Uiso 1 1 calc R . .
H29C H 0.0108 0.2713 0.3424 0.103 Uiso 1 1 calc R . .
C30 C 0.0747(2) 0.35468(16) 0.4507(2) 0.0849(12) Uani 1 1 d . . .
H30A H 0.0714 0.3607 0.4024 0.102 Uiso 1 1 calc R . .
H30B H 0.1209 0.3747 0.4667 0.102 Uiso 1 1 calc R . .
H30C H 0.0333 0.3782 0.4721 0.102 Uiso 1 1 calc R . .
C31 C 0.1516(2) 0.2797(2) 0.57935(18) 0.0838(12) Uani 1 1 d . . .
H31A H 0.1250 0.2800 0.6217 0.101 Uiso 1 1 calc R . .
H31B H 0.1622 0.3275 0.5658 0.101 Uiso 1 1 calc R . .
H31C H 0.1978 0.2541 0.5846 0.101 Uiso 1 1 calc R . .
C32 C 0.0915(2) 0.1220(2) 0.58721(18) 0.0894(12) Uani 1 1 d . . .
H32A H 0.1414 0.1282 0.6046 0.107 Uiso 1 1 calc R . .
H32B H 0.0854 0.0741 0.5715 0.107 Uiso 1 1 calc R . .
H32C H 0.0558 0.1315 0.6225 0.107 Uiso 1 1 calc R . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Ru1 N1 2.0579(19) . ?
Ru1 N2 2.0572(19) . ?
Ru1 C14 2.206(3) . ?
Ru1 C15 2.220(3) . ?
Ru1 C17 2.226(2) . ?
Ru1 C16 2.241(2) . ?
Ru1 C13 2.259(2) . ?
Ru1 Ru2 2.4201(5) . ?
Ru1 Zn1 2.5981(5) . ?
Ru2 N2 2.050(2) . ?
Ru2 N1 2.0640(19) . ?
Ru2 C24 2.217(3) . ?
Ru2 C26 2.210(3) . ?
Ru2 C27 2.232(3) . ?
Ru2 C23 2.240(3) . ?
Ru2 C25 2.246(3) . ?
Ru2 Zn1 2.5975(5) . ?
Zn1 Cl2 2.2246(9) . ?
Zn1 Cl1 2.2438(9) . ?
N1 C1 1.425(3) . ?
N2 C7 1.425(3) . ?
C1 C2 1.379(3) . ?
C1 C6 1.389(3) . ?
C2 C3 1.379(4) . ?
C3 C4 1.374(4) . ?
C4 C5 1.366(5) . ?
C5 C6 1.388(4) . ?
C7 C12 1.385(4) . ?
C7 C8 1.381(3) . ?
C8 C9 1.377(4) . ?
C9 C10 1.378(5) . ?
C10 C11 1.367(4) . ?
C11 C12 1.381(4) . ?
C13 C14 1.415(4) . ?
C13 C17 1.418(4) . ?
C13 C18 1.490(4) . ?
C14 C15 1.426(4) . ?
C14 C19 1.505(4) . ?
C15 C16 1.404(4) . ?
C15 C20 1.506(4) . ?
C16 C17 1.430(4) . ?
C16 C21 1.485(4) . ?
C17 C22 1.504(4) . ?
C23 C24 1.430(4) . ?
C23 C27 1.399(4) . ?
C23 C28 1.502(4) . ?
C24 C25 1.406(4) . ?
C24 C29 1.502(4) . ?
C25 C26 1.424(4) . ?
C25 C30 1.506(4) . ?
C26 C27 1.433(4) . ?
C26 C31 1.499(4) . ?
C27 C32 1.507(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
N1 Ru1 N2 107.00(8) . . ?
N1 Ru1 C14 156.78(9) . . ?
N2 Ru1 C14 95.39(9) . . ?
N1 Ru1 C15 138.43(10) . . ?
N2 Ru1 C15 100.67(9) . . ?
C14 Ru1 C15 37.59(12) . . ?
N1 Ru1 C17 95.68(9) . . ?
N2 Ru1 C17 157.20(9) . . ?
C14 Ru1 C17 61.81(10) . . ?
C15 Ru1 C17 61.77(10) . . ?
N1 Ru1 C16 104.16(9) . . ?
N2 Ru1 C16 133.75(9) . . ?
C14 Ru1 C16 62.11(11) . . ?
C15 Ru1 C16 36.68(11) . . ?
C17 Ru1 C16 37.35(9) . . ?
N1 Ru1 C13 120.97(9) . . ?
N2 Ru1 C13 123.56(9) . . ?
C14 Ru1 C13 36.92(11) . . ?
C15 Ru1 C13 61.96(10) . . ?
C17 Ru1 C13 36.85(10) . . ?
C16 Ru1 C13 61.97(9) . . ?
N1 Ru1 Ru2 54.17(5) . . ?
N2 Ru1 Ru2 53.75(5) . . ?
C14 Ru1 Ru2 145.53(8) . . ?
C15 Ru1 Ru2 148.20(7) . . ?
C17 Ru1 Ru2 147.63(7) . . ?
C16 Ru1 Ru2 149.35(7) . . ?
C13 Ru1 Ru2 145.38(7) . . ?
N1 Ru1 Zn1 77.21(5) . . ?
N2 Ru1 Zn1 80.05(6) . . ?
C14 Ru1 Zn1 101.28(9) . . ?
C15 Ru1 Zn1 138.85(9) . . ?
C17 Ru1 Zn1 103.31(7) . . ?
C16 Ru1 Zn1 140.52(7) . . ?
C13 Ru1 Zn1 83.16(7) . . ?
Ru2 Ru1 Zn1 62.226(9) . . ?
N2 Ru2 N1 107.05(8) . . ?
N2 Ru2 C24 157.12(9) . . ?
N1 Ru2 C24 95.65(9) . . ?
N2 Ru2 C26 95.20(9) . . ?
N1 Ru2 C26 156.99(9) . . ?
C24 Ru2 C26 61.94(10) . . ?
N2 Ru2 C27 100.93(10) . . ?
N1 Ru2 C27 138.04(10) . . ?
C24 Ru2 C27 61.89(11) . . ?
C26 Ru2 C27 37.62(10) . . ?
N2 Ru2 C23 134.06(10) . . ?
N1 Ru2 C23 104.13(10) . . ?
C24 Ru2 C23 37.42(11) . . ?
C26 Ru2 C23 61.90(10) . . ?
C27 Ru2 C23 36.47(11) . . ?
N2 Ru2 C25 123.39(10) . . ?
N1 Ru2 C25 120.97(10) . . ?
C24 Ru2 C25 36.70(10) . . ?
C26 Ru2 C25 37.25(11) . . ?
C27 Ru2 C25 62.19(11) . . ?
C23 Ru2 C25 61.83(10) . . ?
N2 Ru2 Ru1 54.04(5) . . ?
N1 Ru2 Ru1 53.93(5) . . ?
C24 Ru2 Ru1 147.20(7) . . ?
C26 Ru2 Ru1 145.74(7) . . ?
C27 Ru2 Ru1 148.47(8) . . ?
C23 Ru2 Ru1 149.48(7) . . ?
C25 Ru2 Ru1 145.16(7) . . ?
N2 Ru2 Zn1 80.19(6) . . ?
N1 Ru2 Zn1 77.13(6) . . ?
C24 Ru2 Zn1 102.70(8) . . ?
C26 Ru2 Zn1 101.58(8) . . ?
C27 Ru2 Zn1 139.16(8) . . ?
C23 Ru2 Zn1 139.99(8) . . ?
C25 Ru2 Zn1 82.90(7) . . ?
Ru1 Ru2 Zn1 62.252(14) . . ?
Cl2 Zn1 Cl1 122.84(4) . . ?
Cl2 Zn1 Ru2 117.58(3) . . ?
Cl1 Zn1 Ru2 112.22(3) . . ?
Cl2 Zn1 Ru1 117.92(3) . . ?
Cl1 Zn1 Ru1 112.41(3) . . ?
Ru2 Zn1 Ru1 55.522(13) . . ?
C1 N1 Ru1 126.99(15) . . ?
C1 N1 Ru2 123.04(15) . . ?
Ru1 N1 Ru2 71.91(6) . . ?
C7 N2 Ru2 125.56(15) . . ?
C7 N2 Ru1 123.49(15) . . ?
Ru2 N2 Ru1 72.21(6) . . ?
C2 C1 C6 118.6(2) . . ?
C2 C1 N1 121.9(2) . . ?
C6 C1 N1 119.5(2) . . ?
C1 C2 C3 120.8(3) . . ?
C2 C3 C4 120.6(3) . . ?
C5 C4 C3 119.0(3) . . ?
C4 C5 C6 121.2(3) . . ?
C1 C6 C5 119.7(3) . . ?
C12 C7 C8 118.8(2) . . ?
C12 C7 N2 121.6(2) . . ?
C8 C7 N2 119.6(2) . . ?
C7 C8 C9 120.7(3) . . ?
C10 C9 C8 119.9(3) . . ?
C11 C10 C9 120.0(3) . . ?
C10 C11 C12 120.2(3) . . ?
C7 C12 C11 120.4(3) . . ?
C14 C13 C17 107.0(2) . . ?
C14 C13 C18 125.9(3) . . ?
C17 C13 C18 126.8(3) . . ?
C14 C13 Ru1 69.50(15) . . ?
C17 C13 Ru1 70.31(14) . . ?
C18 C13 Ru1 130.3(2) . . ?
C13 C14 C15 108.5(2) . . ?
C13 C14 C19 124.8(3) . . ?
C15 C14 C19 126.5(3) . . ?
C13 C14 Ru1 73.57(15) . . ?
C15 C14 Ru1 71.75(16) . . ?
C19 C14 Ru1 124.7(2) . . ?
C16 C15 C14 108.3(2) . . ?
C16 C15 C20 126.0(3) . . ?
C14 C15 C20 125.4(3) . . ?
C16 C15 Ru1 72.45(15) . . ?
C14 C15 Ru1 70.66(16) . . ?
C20 C15 Ru1 127.9(2) . . ?
C15 C16 C17 107.3(2) . . ?
C15 C16 C21 126.2(3) . . ?
C17 C16 C21 126.2(3) . . ?
C15 C16 Ru1 70.86(15) . . ?
C17 C16 Ru1 70.75(14) . . ?
C21 C16 Ru1 128.7(2) . . ?
C13 C17 C16 108.9(2) . . ?
C13 C17 C22 125.5(3) . . ?
C16 C17 C22 125.4(3) . . ?
C13 C17 Ru1 72.85(14) . . ?
C16 C17 Ru1 71.90(14) . . ?
C22 C17 Ru1 124.8(2) . . ?
C24 C23 C27 107.9(2) . . ?
C24 C23 C28 125.1(3) . . ?
C27 C23 C28 126.7(3) . . ?
C24 C23 Ru2 70.42(15) . . ?
C27 C23 Ru2 71.46(15) . . ?
C28 C23 Ru2 128.5(2) . . ?
C25 C24 C23 108.8(3) . . ?
C25 C24 C29 125.1(3) . . ?
C23 C24 C29 126.0(3) . . ?
C25 C24 Ru2 72.77(16) . . ?
C23 C24 Ru2 72.16(15) . . ?
C29 C24 Ru2 124.6(2) . . ?
C24 C25 C26 107.3(2) . . ?
C24 C25 C30 126.3(3) . . ?
C26 C25 C30 126.0(3) . . ?
C24 C25 Ru2 70.53(15) . . ?
C26 C25 Ru2 70.01(15) . . ?
C30 C25 Ru2 130.6(2) . . ?
C27 C26 C25 108.1(3) . . ?
C27 C26 C31 124.8(3) . . ?
C25 C26 C31 126.9(3) . . ?
C27 C26 Ru2 72.02(15) . . ?
C25 C26 Ru2 72.74(15) . . ?
C31 C26 Ru2 124.9(2) . . ?
C26 C27 C23 107.8(3) . . ?
C26 C27 C32 125.6(3) . . ?
C23 C27 C32 126.3(3) . . ?
C26 C27 Ru2 70.36(14) . . ?
C23 C27 Ru2 72.07(16) . . ?
C32 C27 Ru2 128.2(2) . . ?

_diffrn_measured_fraction_theta_max 0.984
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.984
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.074
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ru2SnOTf2-1
_database_code_depnum_ccdc_archive 'CCDC 2041262'
loop_
_audit_author_name
_audit_author_address
'Shin Takemoto'
;Osaka Prefecture University
Japan
;
_audit_update_record             
;
2020-10-29 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C35 H44 Cl2 F6 N2 O6 Ru2 S2 Sn'
_chemical_formula_moiety         'C35 H44 Cl2 F6 N2 O6 Ru2 S2 Sn'
_chemical_formula_weight         1158.59
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      triclinic
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
_space_group_IT_number           2
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   10.4804(7)
_cell_length_b                   10.7740(8)
_cell_length_c                   19.5872(14)
_cell_angle_alpha                90.737(6)
_cell_angle_beta                 94.454(7)
_cell_angle_gamma                104.508(7)
_cell_volume                     2133.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    17837
_cell_measurement_theta_min      3.02
_cell_measurement_theta_max      27.46
_cell_measurement_temperature    173
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.010
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1148.00
_exptl_absorpt_coefficient_mu    1.573
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.580
_exptl_absorpt_correction_T_max  0.984

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      173
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            19784
_diffrn_reflns_av_R_equivalents  0.0379
_diffrn_reflns_theta_max         27.458
_diffrn_reflns_theta_min         3.020
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measured_fraction_theta_full 0.982
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_point_group_measured_fraction_full 0.982
_reflns_number_total             9517
_reflns_number_gt                8117
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0731
_refine_ls_R_factor_gt           0.0604
_refine_ls_wR_factor_ref         0.1718
_refine_ls_wR_factor_gt          0.1670
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         9517
_refine_ls_number_parameters     505
_refine_ls_goodness_of_fit_ref   1.315
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+37.5564P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         1.69
_refine_diff_density_min         -2.28
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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)
;
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)
;
F F 0.0171 0.0103
;
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)
;
Ru Ru -1.2594 0.8363
;
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)
;
Cl Cl 0.1484 0.1585
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 0.46431(5) 0.46218(6) 0.23758(3) 0.01692(14) Uani 1 1 d . . . . .
Ru1 Ru 0.20833(6) 0.43805(6) 0.18389(3) 0.01217(14) Uani 1 1 d . . . . .
Ru2 Ru 0.23867(6) 0.31608(6) 0.28395(3) 0.01283(14) Uani 1 1 d . . . . .
Cl1 Cl 0.2170(7) 0.9805(5) 0.4772(2) 0.1036(19) Uani 1 1 d . . . . .
Cl2 Cl 0.2396(4) 0.7376(4) 0.5308(2) 0.0611(9) Uani 1 1 d . . . . .
S1 S 0.6030(2) 0.2792(2) 0.12935(11) 0.0205(4) Uani 1 1 d . . . . .
S2 S 0.5226(2) 0.7633(2) 0.35566(12) 0.0239(5) Uani 1 1 d . . . . .
F1 F 0.4478(6) 0.1321(6) 0.0330(3) 0.0385(14) Uani 1 1 d . . . . .
F2 F 0.6497(7) 0.1180(7) 0.0400(4) 0.0517(19) Uani 1 1 d . . . . .
F3 F 0.5186(8) 0.0294(6) 0.1147(4) 0.0498(18) Uani 1 1 d . . . . .
F4 F 0.7079(7) 0.9679(7) 0.3333(4) 0.059(2) Uani 1 1 d . . . . .
F5 F 0.7244(7) 0.7956(8) 0.2809(5) 0.065(2) Uani 1 1 d . . . . .
F6 F 0.5789(7) 0.8928(7) 0.2449(4) 0.0506(18) Uani 1 1 d . . . . .
O1 O 0.4805(6) 0.2794(6) 0.1608(3) 0.0261(14) Uani 1 1 d . . . . .
O2 O 0.6367(7) 0.3775(7) 0.0805(4) 0.0323(15) Uani 1 1 d . . . . .
O3 O 0.7068(7) 0.2606(7) 0.1766(4) 0.0319(16) Uani 1 1 d . . . . .
O4 O 0.4513(7) 0.6575(7) 0.3098(4) 0.0317(15) Uani 1 1 d . . . . .
O5 O 0.6041(8) 0.7282(9) 0.4098(4) 0.049(2) Uani 1 1 d . . . . .
O6 O 0.4425(8) 0.8472(7) 0.3732(4) 0.044(2) Uani 1 1 d . . . . .
N1 N 0.2085(6) 0.2460(7) 0.1837(3) 0.0150(13) Uani 1 1 d . . . . .
H1 H 0.2932 0.2345 0.1676 0.018 Uiso 1 1 calc R U . . .
N2 N 0.1922(6) 0.4920(6) 0.2838(3) 0.0134(13) Uani 1 1 d . . . . .
H2 H 0.2719 0.5612 0.3006 0.016 Uiso 1 1 calc R U . . .
C1 C 0.3033(9) 0.5753(8) 0.1037(4) 0.0200(17) Uani 1 1 d . . . . .
C2 C 0.2269(9) 0.4593(8) 0.0712(4) 0.0194(17) Uani 1 1 d . . . . .
C3 C 0.0898(8) 0.4446(8) 0.0842(4) 0.0181(16) Uani 1 1 d . . . . .
C4 C 0.0843(8) 0.5504(8) 0.1268(4) 0.0172(16) Uani 1 1 d . . . . .
C5 C 0.2168(9) 0.6314(8) 0.1401(4) 0.0184(16) Uani 1 1 d . . . . .
C6 C 0.4481(9) 0.6340(10) 0.0965(5) 0.028(2) Uani 1 1 d . . . . .
H6A H 0.4773 0.7141 0.1242 0.034 Uiso 1 1 calc R U . . .
H6B H 0.4997 0.5740 0.1124 0.034 Uiso 1 1 calc R U . . .
H6C H 0.4615 0.6521 0.0483 0.034 Uiso 1 1 calc R U . . .
C7 C 0.2770(9) 0.3723(9) 0.0252(4) 0.0248(19) Uani 1 1 d . . . . .
H7A H 0.2041 0.2987 0.0095 0.030 Uiso 1 1 calc R U . . .
H7B H 0.3123 0.4195 -0.0144 0.030 Uiso 1 1 calc R U . . .
H7C H 0.3470 0.3420 0.0506 0.030 Uiso 1 1 calc R U . . .
C8 C -0.0263(9) 0.3433(9) 0.0536(5) 0.0241(19) Uani 1 1 d . . . . .
H8A H 0.0047 0.2815 0.0263 0.029 Uiso 1 1 calc R U . . .
H8B H -0.0762 0.2989 0.0903 0.029 Uiso 1 1 calc R U . . .
H8C H -0.0837 0.3831 0.0241 0.029 Uiso 1 1 calc R U . . .
C9 C -0.0399(9) 0.5819(9) 0.1467(5) 0.0242(19) Uani 1 1 d . . . . .
H9A H -0.0167 0.6596 0.1764 0.029 Uiso 1 1 calc R U . . .
H9B H -0.0926 0.5964 0.1054 0.029 Uiso 1 1 calc R U . . .
H9C H -0.0915 0.5104 0.1713 0.029 Uiso 1 1 calc R U . . .
C10 C 0.2530(10) 0.7569(8) 0.1791(5) 0.027(2) Uani 1 1 d . . . . .
H10A H 0.1746 0.7714 0.1988 0.032 Uiso 1 1 calc R U . . .
H10B H 0.3214 0.7556 0.2160 0.032 Uiso 1 1 calc R U . . .
H10C H 0.2868 0.8261 0.1482 0.032 Uiso 1 1 calc R U . . .
C11 C 0.1380(9) 0.1773(10) 0.3616(5) 0.028(2) Uani 1 1 d . . . . .
C12 C 0.2183(10) 0.2897(9) 0.3967(4) 0.025(2) Uani 1 1 d . . . . .
C13 C 0.3532(9) 0.3037(9) 0.3841(4) 0.0222(18) Uani 1 1 d . . . . .
C14 C 0.3566(9) 0.1980(9) 0.3396(4) 0.0221(18) Uani 1 1 d . . . . .
C15 C 0.2240(10) 0.1216(8) 0.3263(4) 0.0231(18) Uani 1 1 d . . . . .
C16 C -0.0068(11) 0.1222(14) 0.3651(7) 0.054(4) Uani 1 1 d . . . . .
H16A H -0.0426 0.1799 0.3928 0.065 Uiso 1 1 calc R U . . .
H16B H -0.0513 0.1123 0.3187 0.065 Uiso 1 1 calc R U . . .
H16C H -0.0217 0.0383 0.3861 0.065 Uiso 1 1 calc R U . . .
C17 C 0.1710(15) 0.3753(12) 0.4454(5) 0.049(3) Uani 1 1 d . . . . .
H17A H 0.2456 0.4461 0.4627 0.058 Uiso 1 1 calc R U . . .
H17B H 0.1028 0.4100 0.4212 0.058 Uiso 1 1 calc R U . . .
H17C H 0.1340 0.3254 0.4839 0.058 Uiso 1 1 calc R U . . .
C18 C 0.4707(12) 0.3981(10) 0.4180(5) 0.038(3) Uani 1 1 d . . . . .
H18A H 0.5511 0.3860 0.3994 0.046 Uiso 1 1 calc R U . . .
H18B H 0.4627 0.4853 0.4094 0.046 Uiso 1 1 calc R U . . .
H18C H 0.4757 0.3850 0.4675 0.046 Uiso 1 1 calc R U . . .
C19 C 0.4765(11) 0.1598(11) 0.3183(6) 0.034(2) Uani 1 1 d . . . . .
H19A H 0.5562 0.2272 0.3329 0.041 Uiso 1 1 calc R U . . .
H19B H 0.4820 0.0793 0.3397 0.041 Uiso 1 1 calc R U . . .
H19C H 0.4696 0.1478 0.2683 0.041 Uiso 1 1 calc R U . . .
C20 C 0.1862(13) -0.0055(10) 0.2875(6) 0.041(3) Uani 1 1 d . . . . .
H20A H 0.2642 -0.0213 0.2679 0.049 Uiso 1 1 calc R U . . .
H20B H 0.1517 -0.0739 0.3187 0.049 Uiso 1 1 calc R U . . .
H20C H 0.1180 -0.0040 0.2505 0.049 Uiso 1 1 calc R U . . .
C21 C 0.1007(8) 0.1438(8) 0.1571(4) 0.0172(16) Uani 1 1 d . . . . .
C22 C -0.0271(8) 0.1291(9) 0.1767(4) 0.0217(18) Uani 1 1 d . . . . .
H22 H -0.0443 0.1896 0.2082 0.026 Uiso 1 1 calc R U . . .
C23 C -0.1294(10) 0.0272(9) 0.1509(5) 0.029(2) Uani 1 1 d . . . . .
H23 H -0.2165 0.0191 0.1639 0.035 Uiso 1 1 calc R U . . .
C24 C -0.1044(11) -0.0626(9) 0.1060(6) 0.033(2) Uani 1 1 d . . . . .
H24 H -0.1741 -0.1335 0.0891 0.040 Uiso 1 1 calc R U . . .
C25 C 0.0216(11) -0.0496(10) 0.0858(6) 0.035(2) Uani 1 1 d . . . . .
H25 H 0.0383 -0.1109 0.0547 0.042 Uiso 1 1 calc R U . . .
C26 C 0.1240(10) 0.0535(9) 0.1110(5) 0.0247(19) Uani 1 1 d . . . . .
H26 H 0.2103 0.0627 0.0967 0.030 Uiso 1 1 calc R U . . .
C27 C 0.0761(8) 0.5176(8) 0.3087(4) 0.0173(16) Uani 1 1 d . . . . .
C28 C -0.0486(8) 0.4329(9) 0.2944(4) 0.0211(17) Uani 1 1 d . . . . .
H28 H -0.0575 0.3565 0.2676 0.025 Uiso 1 1 calc R U . . .
C29 C -0.1589(9) 0.4602(9) 0.3192(5) 0.0261(19) Uani 1 1 d . . . . .
H29 H -0.2433 0.4021 0.3099 0.031 Uiso 1 1 calc R U . . .
C30 C -0.1465(10) 0.5722(10) 0.3576(5) 0.029(2) Uani 1 1 d . . . . .
H30 H -0.2226 0.5916 0.3739 0.035 Uiso 1 1 calc R U . . .
C31 C -0.0225(10) 0.6559(10) 0.3722(5) 0.032(2) Uani 1 1 d . . . . .
H31 H -0.0135 0.7320 0.3992 0.038 Uiso 1 1 calc R U . . .
C32 C 0.0868(9) 0.6288(9) 0.3478(5) 0.0242(19) Uani 1 1 d . . . . .
H32 H 0.1711 0.6868 0.3577 0.029 Uiso 1 1 calc R U . . .
C33 C 0.5514(10) 0.1319(10) 0.0769(5) 0.029(2) Uani 1 1 d . . . . .
C34 C 0.6399(9) 0.8589(10) 0.3005(5) 0.031(2) Uani 1 1 d . . . . .
C35 C 0.3233(14) 0.8932(14) 0.5138(7) 0.055(3) Uani 1 1 d . . . . .
H35A H 0.3919 0.8905 0.4822 0.066 Uiso 1 1 calc R U . . .
H35B H 0.3682 0.9373 0.5570 0.066 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1.1 (Rigaku, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.1.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 O1 2.510(6) . ?
Sn1 O4 2.558(7) . ?
Sn1 Ru2 2.7203(9) . ?
Sn1 Ru1 2.7524(8) . ?
Ru1 N2 2.065(6) . ?
Ru1 N1 2.069(7) . ?
Ru1 C4 2.237(8) . ?
Ru1 C2 2.240(8) . ?
Ru1 C3 2.244(8) . ?
Ru1 C5 2.247(8) . ?
Ru1 C1 2.282(8) . ?
Ru1 Ru2 2.4183(9) . ?
Ru2 N1 2.067(7) . ?
Ru2 N2 2.072(6) . ?
Ru2 C14 2.224(8) . ?
Ru2 C15 2.238(8) . ?
Ru2 C13 2.243(8) . ?
Ru2 C12 2.250(9) . ?
Ru2 C11 2.276(9) . ?
Cl1 C35 1.748(16) . ?
Cl2 C35 1.736(14) . ?
S1 O3 1.427(7) . ?
S1 O2 1.433(7) . ?
S1 O1 1.467(6) . ?
S1 C33 1.819(10) . ?
S2 O5 1.425(8) . ?
S2 O6 1.434(8) . ?
S2 O4 1.453(7) . ?
S2 C34 1.827(10) . ?
F1 C33 1.332(11) . ?
F2 C33 1.341(12) . ?
F3 C33 1.324(12) . ?
F4 C34 1.338(12) . ?
F5 C34 1.322(12) . ?
F6 C34 1.323(12) . ?
N1 C21 1.425(10) . ?
N1 H1 1.0000 . ?
N2 C27 1.432(10) . ?
N2 H2 1.0000 . ?
C1 C2 1.417(12) . ?
C1 C5 1.434(12) . ?
C1 C6 1.509(12) . ?
C2 C3 1.448(12) . ?
C2 C7 1.504(12) . ?
C3 C4 1.419(11) . ?
C3 C8 1.496(12) . ?
C4 C5 1.446(12) . ?
C4 C9 1.503(12) . ?
C5 C10 1.493(12) . ?
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 1.416(14) . ?
C11 C12 1.423(14) . ?
C11 C16 1.493(14) . ?
C12 C13 1.425(14) . ?
C12 C17 1.513(13) . ?
C13 C14 1.435(12) . ?
C13 C18 1.489(13) . ?
C14 C15 1.429(13) . ?
C14 C19 1.504(12) . ?
C15 C20 1.505(13) . ?
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 C22 1.393(12) . ?
C21 C26 1.397(12) . ?
C22 C23 1.387(12) . ?
C22 H22 0.9500 . ?
C23 C24 1.385(14) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(16) . ?
C24 H24 0.9500 . ?
C25 C26 1.391(13) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C32 1.390(12) . ?
C27 C28 1.399(12) . ?
C28 C29 1.384(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.386(13) . ?
C29 H29 0.9500 . ?
C30 C31 1.391(14) . ?
C30 H30 0.9500 . ?
C31 C32 1.370(12) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?

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
O1 Sn1 O4 176.5(2) . . ?
O1 Sn1 Ru2 90.52(15) . . ?
O4 Sn1 Ru2 91.96(16) . . ?
O1 Sn1 Ru1 90.05(14) . . ?
O4 Sn1 Ru1 89.55(16) . . ?
Ru2 Sn1 Ru1 52.44(2) . . ?
N2 Ru1 N1 107.0(3) . . ?
N2 Ru1 C4 100.8(3) . . ?
N1 Ru1 C4 133.8(3) . . ?
N2 Ru1 C2 157.8(3) . . ?
N1 Ru1 C2 95.2(3) . . ?
C4 Ru1 C2 62.2(3) . . ?
N2 Ru1 C3 133.9(3) . . ?
N1 Ru1 C3 100.4(3) . . ?
C4 Ru1 C3 36.9(3) . . ?
C2 Ru1 C3 37.7(3) . . ?
N2 Ru1 C5 95.9(3) . . ?
N1 Ru1 C5 157.1(3) . . ?
C4 Ru1 C5 37.6(3) . . ?
C2 Ru1 C5 61.9(3) . . ?
C3 Ru1 C5 62.3(3) . . ?
N2 Ru1 C1 124.4(3) . . ?
N1 Ru1 C1 123.1(3) . . ?
C4 Ru1 C1 61.9(3) . . ?
C2 Ru1 C1 36.5(3) . . ?
C3 Ru1 C1 61.9(3) . . ?
C5 Ru1 C1 36.9(3) . . ?
N2 Ru1 Ru2 54.35(17) . . ?
N1 Ru1 Ru2 54.18(19) . . ?
C4 Ru1 Ru2 147.2(2) . . ?
C2 Ru1 Ru2 146.9(2) . . ?
C3 Ru1 Ru2 146.6(2) . . ?
C5 Ru1 Ru2 147.6(2) . . ?
C1 Ru1 Ru2 147.8(2) . . ?
N2 Ru1 Sn1 80.20(18) . . ?
N1 Ru1 Sn1 81.10(18) . . ?
C4 Ru1 Sn1 140.5(2) . . ?
C2 Ru1 Sn1 103.7(2) . . ?
C3 Ru1 Sn1 141.3(2) . . ?
C5 Ru1 Sn1 102.9(2) . . ?
C1 Ru1 Sn1 84.7(2) . . ?
Ru2 Ru1 Sn1 63.10(2) . . ?
N1 Ru2 N2 106.8(3) . . ?
N1 Ru2 C14 105.7(3) . . ?
N2 Ru2 C14 144.3(3) . . ?
N1 Ru2 C15 93.0(3) . . ?
N2 Ru2 C15 151.4(3) . . ?
C14 Ru2 C15 37.4(3) . . ?
N1 Ru2 C13 142.3(3) . . ?
N2 Ru2 C13 107.6(3) . . ?
C14 Ru2 C13 37.5(3) . . ?
C15 Ru2 C13 62.1(3) . . ?
N1 Ru2 C12 151.4(3) . . ?
N2 Ru2 C12 94.3(3) . . ?
C14 Ru2 C12 61.7(3) . . ?
C15 Ru2 C12 61.0(3) . . ?
C13 Ru2 C12 37.0(3) . . ?
N1 Ru2 C11 115.0(3) . . ?
N2 Ru2 C11 114.9(3) . . ?
C14 Ru2 C11 62.0(3) . . ?
C15 Ru2 C11 36.6(4) . . ?
C13 Ru2 C11 62.1(3) . . ?
C12 Ru2 C11 36.7(4) . . ?
N1 Ru2 Ru1 54.27(19) . . ?
N2 Ru2 Ru1 54.11(18) . . ?
C14 Ru2 Ru1 147.7(2) . . ?
C15 Ru2 Ru1 146.6(2) . . ?
C13 Ru2 Ru1 148.3(2) . . ?
C12 Ru2 Ru1 147.9(2) . . ?
C11 Ru2 Ru1 146.1(2) . . ?
N1 Ru2 Sn1 81.93(19) . . ?
N2 Ru2 Sn1 80.88(18) . . ?
C14 Ru2 Sn1 89.6(2) . . ?
C15 Ru2 Sn1 123.0(3) . . ?
C13 Ru2 Sn1 88.7(2) . . ?
C12 Ru2 Sn1 121.2(3) . . ?
C11 Ru2 Sn1 149.4(2) . . ?
Ru1 Ru2 Sn1 64.46(2) . . ?
O3 S1 O2 117.4(4) . . ?
O3 S1 O1 113.9(4) . . ?
O2 S1 O1 113.0(4) . . ?
O3 S1 C33 105.0(4) . . ?
O2 S1 C33 103.9(5) . . ?
O1 S1 C33 101.2(4) . . ?
O5 S2 O6 117.2(6) . . ?
O5 S2 O4 114.4(5) . . ?
O6 S2 O4 112.7(5) . . ?
O5 S2 C34 104.2(5) . . ?
O6 S2 C34 103.9(5) . . ?
O4 S2 C34 102.2(5) . . ?
S1 O1 Sn1 121.5(4) . . ?
S2 O4 Sn1 146.4(4) . . ?
C21 N1 Ru2 125.1(5) . . ?
C21 N1 Ru1 124.7(5) . . ?
Ru2 N1 Ru1 71.6(2) . . ?
C21 N1 H1 110.1 . . ?
Ru2 N1 H1 110.1 . . ?
Ru1 N1 H1 110.1 . . ?
C27 N2 Ru1 124.8(5) . . ?
C27 N2 Ru2 125.7(5) . . ?
Ru1 N2 Ru2 71.5(2) . . ?
C27 N2 H2 109.9 . . ?
Ru1 N2 H2 109.9 . . ?
Ru2 N2 H2 109.9 . . ?
C2 C1 C5 108.0(8) . . ?
C2 C1 C6 125.6(8) . . ?
C5 C1 C6 126.2(8) . . ?
C2 C1 Ru1 70.1(5) . . ?
C5 C1 Ru1 70.2(5) . . ?
C6 C1 Ru1 128.8(6) . . ?
C1 C2 C3 108.5(7) . . ?
C1 C2 C7 125.9(8) . . ?
C3 C2 C7 125.3(8) . . ?
C1 C2 Ru1 73.4(5) . . ?
C3 C2 Ru1 71.3(5) . . ?
C7 C2 Ru1 125.8(6) . . ?
C4 C3 C2 107.4(7) . . ?
C4 C3 C8 125.9(8) . . ?
C2 C3 C8 126.5(8) . . ?
C4 C3 Ru1 71.3(5) . . ?
C2 C3 Ru1 71.0(5) . . ?
C8 C3 Ru1 127.0(6) . . ?
C3 C4 C5 108.3(7) . . ?
C3 C4 C9 125.6(8) . . ?
C5 C4 C9 125.6(8) . . ?
C3 C4 Ru1 71.8(4) . . ?
C5 C4 Ru1 71.6(4) . . ?
C9 C4 Ru1 128.6(6) . . ?
C1 C5 C4 107.6(7) . . ?
C1 C5 C10 126.8(8) . . ?
C4 C5 C10 125.4(8) . . ?
C1 C5 Ru1 72.9(5) . . ?
C4 C5 Ru1 70.8(4) . . ?
C10 C5 Ru1 126.2(6) . . ?
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 106.6(8) . . ?
C15 C11 C16 126.1(11) . . ?
C12 C11 C16 127.1(11) . . ?
C15 C11 Ru2 70.2(5) . . ?
C12 C11 Ru2 70.7(5) . . ?
C16 C11 Ru2 127.4(7) . . ?
C11 C12 C13 109.8(8) . . ?
C11 C12 C17 125.6(10) . . ?
C13 C12 C17 124.4(10) . . ?
C11 C12 Ru2 72.7(5) . . ?
C13 C12 Ru2 71.3(5) . . ?
C17 C12 Ru2 126.9(6) . . ?
C12 C13 C14 106.7(8) . . ?
C12 C13 C18 127.0(9) . . ?
C14 C13 C18 125.7(9) . . ?
C12 C13 Ru2 71.8(5) . . ?
C14 C13 Ru2 70.6(5) . . ?
C18 C13 Ru2 129.1(6) . . ?
C15 C14 C13 107.6(8) . . ?
C15 C14 C19 124.2(9) . . ?
C13 C14 C19 127.6(9) . . ?
C15 C14 Ru2 71.8(5) . . ?
C13 C14 Ru2 72.0(5) . . ?
C19 C14 Ru2 128.5(6) . . ?
C11 C15 C14 109.2(8) . . ?
C11 C15 C20 126.0(9) . . ?
C14 C15 C20 124.4(9) . . ?
C11 C15 Ru2 73.2(5) . . ?
C14 C15 Ru2 70.8(5) . . ?
C20 C15 Ru2 127.5(6) . . ?
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 . . ?
C22 C21 C26 118.7(8) . . ?
C22 C21 N1 122.2(7) . . ?
C26 C21 N1 119.1(8) . . ?
C23 C22 C21 120.8(8) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C24 C23 C22 119.9(9) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C25 C24 C23 120.2(9) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 H24 119.9 . . ?
C24 C25 C26 119.9(9) . . ?
C24 C25 H25 120.0 . . ?
C26 C25 H25 120.0 . . ?
C25 C26 C21 120.5(9) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
C32 C27 C28 119.0(8) . . ?
C32 C27 N2 119.6(8) . . ?
C28 C27 N2 121.4(7) . . ?
C29 C28 C27 120.0(8) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.2(9) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C31 119.8(9) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C32 C31 C30 120.1(9) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C27 120.9(9) . . ?
C31 C32 H32 119.5 . . ?
C27 C32 H32 119.5 . . ?
F3 C33 F1 107.8(9) . . ?
F3 C33 F2 107.7(8) . . ?
F1 C33 F2 107.3(8) . . ?
F3 C33 S1 111.9(7) . . ?
F1 C33 S1 111.7(7) . . ?
F2 C33 S1 110.3(7) . . ?
F6 C34 F5 107.9(9) . . ?
F6 C34 F4 106.3(9) . . ?
F5 C34 F4 108.7(9) . . ?
F6 C34 S2 111.6(7) . . ?
F5 C34 S2 111.6(8) . . ?
F4 C34 S2 110.4(7) . . ?
Cl2 C35 Cl1 112.1(8) . . ?
Cl2 C35 H35A 109.2 . . ?
Cl1 C35 H35A 109.2 . . ?
Cl2 C35 H35B 109.2 . . ?
Cl1 C35 H35B 109.2 . . ?
H35A C35 H35B 107.9 . . ?

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
O3 S1 O1 Sn1 71.4(6) . . . . ?
O2 S1 O1 Sn1 -66.1(5) . . . . ?
C33 S1 O1 Sn1 -176.5(4) . . . . ?
O5 S2 O4 Sn1 -47.7(9) . . . . ?
O6 S2 O4 Sn1 175.1(7) . . . . ?
C34 S2 O4 Sn1 64.3(9) . . . . ?
C5 C1 C2 C3 2.8(9) . . . . ?
C6 C1 C2 C3 -172.8(8) . . . . ?
Ru1 C1 C2 C3 63.1(6) . . . . ?
C5 C1 C2 C7 177.2(8) . . . . ?
C6 C1 C2 C7 1.6(14) . . . . ?
Ru1 C1 C2 C7 -122.5(8) . . . . ?
C5 C1 C2 Ru1 -60.2(6) . . . . ?
C6 C1 C2 Ru1 124.1(9) . . . . ?
C1 C2 C3 C4 -2.0(9) . . . . ?
C7 C2 C3 C4 -176.5(8) . . . . ?
Ru1 C2 C3 C4 62.4(5) . . . . ?
C1 C2 C3 C8 173.2(8) . . . . ?
C7 C2 C3 C8 -1.3(13) . . . . ?
Ru1 C2 C3 C8 -122.4(8) . . . . ?
C1 C2 C3 Ru1 -64.4(6) . . . . ?
C7 C2 C3 Ru1 121.1(8) . . . . ?
C2 C3 C4 C5 0.4(9) . . . . ?
C8 C3 C4 C5 -174.8(8) . . . . ?
Ru1 C3 C4 C5 62.6(5) . . . . ?
C2 C3 C4 C9 172.9(8) . . . . ?
C8 C3 C4 C9 -2.3(13) . . . . ?
Ru1 C3 C4 C9 -124.9(8) . . . . ?
C2 C3 C4 Ru1 -62.2(6) . . . . ?
C8 C3 C4 Ru1 122.6(8) . . . . ?
C2 C1 C5 C4 -2.5(9) . . . . ?
C6 C1 C5 C4 173.1(8) . . . . ?
Ru1 C1 C5 C4 -62.7(5) . . . . ?
C2 C1 C5 C10 -177.1(8) . . . . ?
C6 C1 C5 C10 -1.5(14) . . . . ?
Ru1 C1 C5 C10 122.7(9) . . . . ?
C2 C1 C5 Ru1 60.2(6) . . . . ?
C6 C1 C5 Ru1 -124.2(9) . . . . ?
C3 C4 C5 C1 1.3(9) . . . . ?
C9 C4 C5 C1 -171.2(8) . . . . ?
Ru1 C4 C5 C1 64.1(6) . . . . ?
C3 C4 C5 C10 175.9(8) . . . . ?
C9 C4 C5 C10 3.5(13) . . . . ?
Ru1 C4 C5 C10 -121.3(8) . . . . ?
C3 C4 C5 Ru1 -62.8(5) . . . . ?
C9 C4 C5 Ru1 124.7(8) . . . . ?
C15 C11 C12 C13 -0.6(10) . . . . ?
C16 C11 C12 C13 175.2(9) . . . . ?
Ru2 C11 C12 C13 -62.0(6) . . . . ?
C15 C11 C12 C17 -175.2(9) . . . . ?
C16 C11 C12 C17 0.5(15) . . . . ?
Ru2 C11 C12 C17 123.4(9) . . . . ?
C15 C11 C12 Ru2 61.4(6) . . . . ?
C16 C11 C12 Ru2 -122.8(10) . . . . ?
C11 C12 C13 C14 0.6(10) . . . . ?
C17 C12 C13 C14 175.3(8) . . . . ?
Ru2 C12 C13 C14 -62.3(6) . . . . ?
C11 C12 C13 C18 -171.5(9) . . . . ?
C17 C12 C13 C18 3.2(14) . . . . ?
Ru2 C12 C13 C18 125.6(9) . . . . ?
C11 C12 C13 Ru2 62.9(6) . . . . ?
C17 C12 C13 Ru2 -122.4(9) . . . . ?
C12 C13 C14 C15 -0.3(9) . . . . ?
C18 C13 C14 C15 171.9(8) . . . . ?
Ru2 C13 C14 C15 -63.4(6) . . . . ?
C12 C13 C14 C19 -171.7(8) . . . . ?
C18 C13 C14 C19 0.5(14) . . . . ?
Ru2 C13 C14 C19 125.2(9) . . . . ?
C12 C13 C14 Ru2 63.1(6) . . . . ?
C18 C13 C14 Ru2 -124.7(9) . . . . ?
C12 C11 C15 C14 0.4(10) . . . . ?
C16 C11 C15 C14 -175.4(9) . . . . ?
Ru2 C11 C15 C14 62.0(6) . . . . ?
C12 C11 C15 C20 173.8(8) . . . . ?
C16 C11 C15 C20 -2.0(15) . . . . ?
Ru2 C11 C15 C20 -124.5(9) . . . . ?
C12 C11 C15 Ru2 -61.7(6) . . . . ?
C16 C11 C15 Ru2 122.5(10) . . . . ?
C13 C14 C15 C11 0.0(10) . . . . ?
C19 C14 C15 C11 171.8(8) . . . . ?
Ru2 C14 C15 C11 -63.5(6) . . . . ?
C13 C14 C15 C20 -173.6(8) . . . . ?
C19 C14 C15 C20 -1.9(14) . . . . ?
Ru2 C14 C15 C20 122.9(9) . . . . ?
C13 C14 C15 Ru2 63.5(6) . . . . ?
C19 C14 C15 Ru2 -124.7(9) . . . . ?
Ru2 N1 C21 C22 38.9(10) . . . . ?
Ru1 N1 C21 C22 -52.0(10) . . . . ?
Ru2 N1 C21 C26 -139.7(7) . . . . ?
Ru1 N1 C21 C26 129.4(7) . . . . ?
C26 C21 C22 C23 -0.2(13) . . . . ?
N1 C21 C22 C23 -178.8(8) . . . . ?
C21 C22 C23 C24 1.2(14) . . . . ?
C22 C23 C24 C25 -1.4(15) . . . . ?
C23 C24 C25 C26 0.6(16) . . . . ?
C24 C25 C26 C21 0.5(15) . . . . ?
C22 C21 C26 C25 -0.7(13) . . . . ?
N1 C21 C26 C25 178.0(8) . . . . ?
Ru1 N2 C27 C32 -131.6(7) . . . . ?
Ru2 N2 C27 C32 137.0(7) . . . . ?
Ru1 N2 C27 C28 48.4(10) . . . . ?
Ru2 N2 C27 C28 -43.0(10) . . . . ?
C32 C27 C28 C29 -0.1(13) . . . . ?
N2 C27 C28 C29 179.9(8) . . . . ?
C27 C28 C29 C30 0.7(14) . . . . ?
C28 C29 C30 C31 -1.2(15) . . . . ?
C29 C30 C31 C32 1.1(16) . . . . ?
C30 C31 C32 C27 -0.5(16) . . . . ?
C28 C27 C32 C31 0.0(14) . . . . ?
N2 C27 C32 C31 179.9(8) . . . . ?
O3 S1 C33 F3 54.9(8) . . . . ?
O2 S1 C33 F3 178.8(7) . . . . ?
O1 S1 C33 F3 -63.9(8) . . . . ?
O3 S1 C33 F1 175.8(7) . . . . ?
O2 S1 C33 F1 -60.3(8) . . . . ?
O1 S1 C33 F1 57.0(8) . . . . ?
O3 S1 C33 F2 -64.9(8) . . . . ?
O2 S1 C33 F2 59.0(8) . . . . ?
O1 S1 C33 F2 176.3(7) . . . . ?
O5 S2 C34 F6 176.2(8) . . . . ?
O6 S2 C34 F6 -60.6(9) . . . . ?
O4 S2 C34 F6 56.8(8) . . . . ?
O5 S2 C34 F5 55.3(9) . . . . ?
O6 S2 C34 F5 178.5(8) . . . . ?
O4 S2 C34 F5 -64.1(9) . . . . ?
O5 S2 C34 F4 -65.8(9) . . . . ?
O6 S2 C34 F4 57.4(9) . . . . ?
O4 S2 C34 F4 174.8(7) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Ru2SnClOTf-4
_database_code_depnum_ccdc_archive 'CCDC 2041264'
loop_
_audit_author_name
_audit_author_address
'Shin Takemoto'
;Osaka Prefecture University
Japan
;
_audit_update_record             
;
2020-10-29 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C33 H42 Cl F3 N2 O3 Ru2 S Sn'
_chemical_formula_moiety         'C33 H42 Cl F3 N2 O3 Ru2 S Sn'
_chemical_formula_weight         960.04
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
_space_group_IT_number           14
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
#------------------------------------------------------------------------------
_cell_length_a                   21.6780(5)
_cell_length_b                   15.5432(4)
_cell_length_c                   21.2981(5)
_cell_angle_alpha                90.0000
_cell_angle_beta                 94.863(7)
_cell_angle_gamma                90.0000
_cell_volume                     7150.5(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    83583
_cell_measurement_theta_min      3.06
_cell_measurement_theta_max      27.43
_cell_measurement_temperature    173
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3808.00
_exptl_absorpt_coefficient_mu    1.711
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.629
_exptl_absorpt_correction_T_max  0.966

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      173
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            102766
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_theta_max         27.429
_diffrn_reflns_theta_min         3.094
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             16257
_reflns_number_gt                12506
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_ref         0.1149
_refine_ls_wR_factor_gt          0.1046
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         16257
_refine_ls_number_parameters     829
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0322P)²+67.1088P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         4.80
_refine_diff_density_min         -2.62
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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 . . . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1.1 (Rigaku, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.1.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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_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_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) . . . . ?

#==============================================================================
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

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yamano-Ru2PbCl2
_database_code_depnum_ccdc_archive 'CCDC 2041263'
loop_
_audit_author_name
_audit_author_address
'Shin Takemoto'
;Osaka Prefecture University
Japan
;
_audit_update_record             
;
2020-10-29 deposited with the CCDC.	2020-12-18 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C32 H42 Cl2 N2 Pb Ru2'
_chemical_formula_moiety         'C32 H42 Cl2 N2 Pb Ru2'
_chemical_formula_weight         934.94
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_IT_number           61
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 1/2+X,1/2-Y,-Z
3 -X,1/2+Y,1/2-Z
4 1/2-X,-Y,1/2+Z
5 -X,-Y,-Z
6 -1/2-X,-1/2+Y,+Z
7 +X,-1/2-Y,-1/2+Z
8 -1/2+X,+Y,-1/2-Z
#------------------------------------------------------------------------------
_cell_length_a                   17.5750(6)
_cell_length_b                   18.5880(6)
_cell_length_c                   20.2407(8)
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_volume                     6612.3(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    29500
_cell_measurement_theta_min      3.07
_cell_measurement_theta_max      27.41
_cell_measurement_temperature    296
#------------------------------------------------------------------------------
_exptl_crystal_description       platelet
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.020
_exptl_crystal_density_diffrn    1.878
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3616.00
_exptl_absorpt_coefficient_mu    6.176
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_absorpt_correction_T_min  0.291
_exptl_absorpt_correction_T_max  0.884

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      296
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 10.000
_diffrn_reflns_number            57606
_diffrn_reflns_av_R_equivalents  0.1107
_diffrn_reflns_theta_max         27.426
_diffrn_reflns_theta_min         3.070
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7513
_reflns_number_gt                4544
_reflns_threshold_expression     F²>2.0σ(F²)
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_ref         0.0741
_refine_ls_wR_factor_gt          0.0637
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_reflns         7513
_refine_ls_number_parameters     352
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0271P)²+2.9916P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.68
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pb Pb -3.3944 10.1111
;
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)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

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
Pb1 Pb 0.27183(2) 0.30304(2) 0.13439(2) 0.05093(9) Uani 1 1 d . . . . .
Ru1 Ru 0.23265(2) 0.15519(2) 0.13536(2) 0.03394(11) Uani 1 1 d . . . . .
Ru2 Ru 0.34253(2) 0.18572(2) 0.06802(2) 0.03414(11) Uani 1 1 d . . . . .
Cl1 Cl 0.37688(12) 0.29386(9) 0.24243(10) 0.0820(6) Uani 1 1 d . . . . .
Cl2 Cl 0.17703(11) 0.33621(9) 0.02362(11) 0.0815(6) Uani 1 1 d . . . . .
N1 N 0.3447(2) 0.1471(2) 0.1636(2) 0.0359(11) Uani 1 1 d . . . . .
H1 H 0.3577 0.1859 0.1944 0.043 Uiso 1 1 calc R U . . .
N2 N 0.2333(2) 0.1716(2) 0.0342(2) 0.0370(11) Uani 1 1 d . . . . .
H2 H 0.2102 0.2181 0.0233 0.044 Uiso 1 1 calc R U . . .
C1 C 0.3832(3) 0.0822(3) 0.1819(3) 0.0394(14) Uani 1 1 d . . . . .
C2 C 0.4348(3) 0.0824(4) 0.2337(3) 0.0560(18) Uani 1 1 d . . . . .
H2A H 0.4424 0.1243 0.2580 0.067 Uiso 1 1 calc R U . . .
C3 C 0.4749(4) 0.0210(4) 0.2497(4) 0.070(2) Uani 1 1 d . . . . .
H3 H 0.5094 0.0218 0.2844 0.084 Uiso 1 1 calc R U . . .
C4 C 0.4641(4) -0.0414(4) 0.2146(4) 0.0619(19) Uani 1 1 d . . . . .
H4 H 0.4919 -0.0824 0.2251 0.074 Uiso 1 1 calc R U . . .
C5 C 0.4123(3) -0.0430(3) 0.1642(3) 0.0542(17) Uani 1 1 d . . . . .
H5 H 0.4039 -0.0852 0.1407 0.065 Uiso 1 1 calc R U . . .
C6 C 0.3722(3) 0.0193(3) 0.1484(3) 0.0460(16) Uani 1 1 d . . . . .
H6 H 0.3370 0.0180 0.1141 0.055 Uiso 1 1 calc R U . . .
C7 C 0.2111(3) 0.1186(3) -0.0122(3) 0.0424(15) Uani 1 1 d . . . . .
C8 C 0.1619(4) 0.1380(3) -0.0630(3) 0.068(2) Uani 1 1 d . . . . .
H8 H 0.1446 0.1852 -0.0660 0.081 Uiso 1 1 calc R U . . .
C9 C 0.1385(5) 0.0877(4) -0.1091(4) 0.089(3) Uani 1 1 d . . . . .
H9 H 0.1057 0.1011 -0.1430 0.107 Uiso 1 1 calc R U . . .
C10 C 0.1638(4) 0.0176(4) -0.1047(4) 0.077(2) Uani 1 1 d . . . . .
H10 H 0.1472 -0.0164 -0.1351 0.093 Uiso 1 1 calc R U . . .
C11 C 0.2127(4) -0.0017(3) -0.0561(4) 0.062(2) Uani 1 1 d . . . . .
H11 H 0.2306 -0.0487 -0.0538 0.075 Uiso 1 1 calc R U . . .
C12 C 0.2359(3) 0.0484(3) -0.0103(3) 0.0497(16) Uani 1 1 d . . . . .
H12 H 0.2693 0.0344 0.0229 0.060 Uiso 1 1 calc R U . . .
C13 C 0.1386(4) 0.1926(3) 0.2033(4) 0.066(2) Uani 1 1 d . . . . .
C14 C 0.1083(4) 0.1601(7) 0.1477(4) 0.094(3) Uani 1 1 d . . . . .
C15 C 0.1290(6) 0.0881(7) 0.1468(5) 0.100(4) Uani 1 1 d . . . . .
C16 C 0.1739(4) 0.0748(3) 0.2000(5) 0.070(2) Uani 1 1 d . . . . .
C17 C 0.1832(3) 0.1402(4) 0.2355(3) 0.0522(17) Uani 1 1 d . . . . .
C18 C 0.1218(6) 0.2662(4) 0.2277(6) 0.196(7) Uani 1 1 d . . . . .
H18A H 0.1505 0.2752 0.2672 0.235 Uiso 1 1 calc R U . . .
H18B H 0.1357 0.3007 0.1945 0.235 Uiso 1 1 calc R U . . .
H18C H 0.0685 0.2704 0.2370 0.235 Uiso 1 1 calc R U . . .
C19 C 0.0521(5) 0.1979(9) 0.1023(6) 0.257(10) Uani 1 1 d . . . . .
H19A H 0.0382 0.1662 0.0669 0.308 Uiso 1 1 calc R U . . .
H19B H 0.0075 0.2109 0.1269 0.308 Uiso 1 1 calc R U . . .
H19C H 0.0752 0.2405 0.0845 0.308 Uiso 1 1 calc R U . . .
C20 C 0.0984(7) 0.0341(8) 0.0986(6) 0.261(10) Uani 1 1 d . . . . .
H20A H 0.0683 0.0583 0.0659 0.313 Uiso 1 1 calc R U . . .
H20B H 0.1399 0.0097 0.0775 0.313 Uiso 1 1 calc R U . . .
H20C H 0.0673 -0.0003 0.1216 0.313 Uiso 1 1 calc R U . . .
C21 C 0.2002(6) 0.0020(4) 0.2210(7) 0.203(8) Uani 1 1 d . . . . .
H21A H 0.2313 0.0063 0.2599 0.244 Uiso 1 1 calc R U . . .
H21B H 0.1569 -0.0277 0.2306 0.244 Uiso 1 1 calc R U . . .
H21C H 0.2294 -0.0195 0.1861 0.244 Uiso 1 1 calc R U . . .
C22 C 0.2254(5) 0.1502(6) 0.2997(4) 0.143(5) Uani 1 1 d . . . . .
H22A H 0.2514 0.1065 0.3109 0.171 Uiso 1 1 calc R U . . .
H22B H 0.2617 0.1884 0.2950 0.171 Uiso 1 1 calc R U . . .
H22C H 0.1899 0.1621 0.3340 0.171 Uiso 1 1 calc R U . . .
C23 C 0.4234(4) 0.2721(3) 0.0318(4) 0.0516(17) Uani 1 1 d . . . . .
C24 C 0.3872(3) 0.2388(4) -0.0234(3) 0.0524(17) Uani 1 1 d . . . . .
C25 C 0.4099(4) 0.1645(3) -0.0242(3) 0.0538(17) Uani 1 1 d . . . . .
C26 C 0.4575(4) 0.1524(3) 0.0302(4) 0.0558(18) Uani 1 1 d . . . . .
C27 C 0.4644(3) 0.2178(3) 0.0644(3) 0.0519(17) Uani 1 1 d . . . . .
C28 C 0.4234(4) 0.3514(3) 0.0473(4) 0.086(3) Uani 1 1 d . . . . .
H28A H 0.3902 0.3760 0.0171 0.104 Uiso 1 1 calc R U . . .
H28B H 0.4059 0.3588 0.0917 0.104 Uiso 1 1 calc R U . . .
H28C H 0.4741 0.3700 0.0429 0.104 Uiso 1 1 calc R U . . .
C29 C 0.3407(4) 0.2758(4) -0.0752(4) 0.090(3) Uani 1 1 d . . . . .
H29A H 0.3229 0.2411 -0.1067 0.108 Uiso 1 1 calc R U . . .
H29B H 0.2979 0.2990 -0.0548 0.108 Uiso 1 1 calc R U . . .
H29C H 0.3713 0.3112 -0.0972 0.108 Uiso 1 1 calc R U . . .
C30 C 0.3940(4) 0.1126(4) -0.0790(4) 0.100(3) Uani 1 1 d . . . . .
H30A H 0.3596 0.1342 -0.1100 0.120 Uiso 1 1 calc R U . . .
H30B H 0.4407 0.1006 -0.1010 0.120 Uiso 1 1 calc R U . . .
H30C H 0.3715 0.0698 -0.0612 0.120 Uiso 1 1 calc R U . . .
C31 C 0.4997(4) 0.0849(3) 0.0449(4) 0.095(3) Uani 1 1 d . . . . .
H31A H 0.5281 0.0907 0.0851 0.114 Uiso 1 1 calc R U . . .
H31B H 0.4643 0.0459 0.0498 0.114 Uiso 1 1 calc R U . . .
H31C H 0.5341 0.0745 0.0093 0.114 Uiso 1 1 calc R U . . .
C32 C 0.5161(4) 0.2289(4) 0.1249(4) 0.086(3) Uani 1 1 d . . . . .
H32A H 0.5117 0.2777 0.1400 0.104 Uiso 1 1 calc R U . . .
H32B H 0.5010 0.1967 0.1595 0.104 Uiso 1 1 calc R U . . .
H32C H 0.5680 0.2193 0.1128 0.104 Uiso 1 1 calc R U . . .


#==============================================================================
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.1.1 (Rigaku, 2015)'
_computing_molecular_graphics    'CrystalStructure 4.1.1'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Pb1 Ru1 2.8331(5) . ?
Pb1 Ru2 2.8468(5) . ?
Pb1 Cl2 2.861(2) . ?
Pb1 Cl1 2.867(2) . ?
Ru1 N1 2.056(4) . ?
Ru1 N2 2.071(4) . ?
Ru1 C14 2.202(7) . ?
Ru1 C15 2.220(7) . ?
Ru1 C17 2.222(6) . ?
Ru1 C16 2.238(6) . ?
Ru1 C13 2.260(6) . ?
Ru1 Ru2 2.4309(6) . ?
Ru2 N2 2.055(4) . ?
Ru2 N1 2.064(4) . ?
Ru2 C27 2.224(6) . ?
Ru2 C24 2.239(6) . ?
Ru2 C25 2.246(6) . ?
Ru2 C26 2.247(6) . ?
Ru2 C23 2.266(6) . ?
N1 C1 1.432(6) . ?
N1 H1 0.9800 . ?
N2 C7 1.417(7) . ?
N2 H2 0.9800 . ?
C1 C6 1.367(7) . ?
C1 C2 1.386(7) . ?
C2 C3 1.380(8) . ?
C2 H2A 0.9300 . ?
C3 C4 1.372(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.369(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.392(7) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.376(7) . ?
C7 C8 1.391(8) . ?
C8 C9 1.384(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.378(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.354(9) . ?
C10 H10 0.9300 . ?
C11 C12 1.376(8) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.384(11) . ?
C13 C17 1.410(9) . ?
C13 C18 1.485(9) . ?
C14 C15 1.388(12) . ?
C14 C19 1.521(11) . ?
C15 C16 1.357(11) . ?
C15 C20 1.500(11) . ?
C16 C17 1.421(9) . ?
C16 C21 1.493(9) . ?
C17 C22 1.508(9) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C27 1.405(8) . ?
C23 C24 1.426(8) . ?
C23 C28 1.508(8) . ?
C24 C25 1.437(8) . ?
C24 C29 1.497(8) . ?
C25 C26 1.403(9) . ?
C25 C30 1.495(9) . ?
C26 C27 1.404(8) . ?
C26 C31 1.488(8) . ?
C27 C32 1.539(9) . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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
Ru1 Pb1 Ru2 50.678(13) . . ?
Ru1 Pb1 Cl2 94.18(4) . . ?
Ru2 Pb1 Cl2 92.84(4) . . ?
Ru1 Pb1 Cl1 95.37(4) . . ?
Ru2 Pb1 Cl1 91.91(4) . . ?
Cl2 Pb1 Cl1 170.30(5) . . ?
N1 Ru1 N2 106.26(17) . . ?
N1 Ru1 C14 157.3(3) . . ?
N2 Ru1 C14 96.4(2) . . ?
N1 Ru1 C15 135.7(4) . . ?
N2 Ru1 C15 101.0(3) . . ?
C14 Ru1 C15 36.6(3) . . ?
N1 Ru1 C17 96.4(2) . . ?
N2 Ru1 C17 157.3(2) . . ?
C14 Ru1 C17 60.9(3) . . ?
C15 Ru1 C17 60.9(3) . . ?
N1 Ru1 C16 103.3(3) . . ?
N2 Ru1 C16 132.8(3) . . ?
C14 Ru1 C16 60.2(3) . . ?
C15 Ru1 C16 35.4(3) . . ?
C17 Ru1 C16 37.1(2) . . ?
N1 Ru1 C13 123.7(3) . . ?
N2 Ru1 C13 124.1(3) . . ?
C14 Ru1 C13 36.1(3) . . ?
C15 Ru1 C13 60.6(3) . . ?
C17 Ru1 C13 36.7(2) . . ?
C16 Ru1 C13 60.8(2) . . ?
N1 Ru1 Ru2 53.98(12) . . ?
N2 Ru1 Ru2 53.59(12) . . ?
C14 Ru1 Ru2 147.4(2) . . ?
C15 Ru1 Ru2 147.3(2) . . ?
C17 Ru1 Ru2 148.34(16) . . ?
C16 Ru1 Ru2 148.20(17) . . ?
C13 Ru1 Ru2 148.29(16) . . ?
N1 Ru1 Pb1 80.79(11) . . ?
N2 Ru1 Pb1 81.29(12) . . ?
C14 Ru1 Pb1 101.6(4) . . ?
C15 Ru1 Pb1 138.2(4) . . ?
C17 Ru1 Pb1 102.89(18) . . ?
C16 Ru1 Pb1 139.8(2) . . ?
C13 Ru1 Pb1 83.33(16) . . ?
Ru2 Ru1 Pb1 64.952(15) . . ?
N2 Ru2 N1 106.61(17) . . ?
N2 Ru2 C27 157.3(2) . . ?
N1 Ru2 C27 96.1(2) . . ?
N2 Ru2 C24 96.2(2) . . ?
N1 Ru2 C24 157.1(2) . . ?
C27 Ru2 C24 61.1(2) . . ?
N2 Ru2 C25 101.1(2) . . ?
N1 Ru2 C25 135.1(2) . . ?
C27 Ru2 C25 60.8(2) . . ?
C24 Ru2 C25 37.4(2) . . ?
N2 Ru2 C26 133.7(2) . . ?
N1 Ru2 C26 101.9(2) . . ?
C27 Ru2 C26 36.6(2) . . ?
C24 Ru2 C26 61.7(2) . . ?
C25 Ru2 C26 36.4(2) . . ?
N2 Ru2 C23 124.6(2) . . ?
N1 Ru2 C23 122.5(2) . . ?
C27 Ru2 C23 36.5(2) . . ?
C24 Ru2 C23 36.9(2) . . ?
C25 Ru2 C23 61.6(2) . . ?
C26 Ru2 C23 61.4(2) . . ?
N2 Ru2 Ru1 54.21(12) . . ?
N1 Ru2 Ru1 53.71(12) . . ?
C27 Ru2 Ru1 147.77(18) . . ?
C24 Ru2 Ru1 147.66(15) . . ?
C25 Ru2 Ru1 147.56(16) . . ?
C26 Ru2 Ru1 147.19(15) . . ?
C23 Ru2 Ru1 147.67(16) . . ?
N2 Ru2 Pb1 81.21(12) . . ?
N1 Ru2 Pb1 80.34(11) . . ?
C27 Ru2 Pb1 103.33(17) . . ?
C24 Ru2 Pb1 101.85(17) . . ?
C25 Ru2 Pb1 139.20(16) . . ?
C26 Ru2 Pb1 139.85(17) . . ?
C23 Ru2 Pb1 83.31(16) . . ?
Ru1 Ru2 Pb1 64.369(15) . . ?
C1 N1 Ru1 125.9(3) . . ?
C1 N1 Ru2 123.0(3) . . ?
Ru1 N1 Ru2 72.32(14) . . ?
C1 N1 H1 110.2 . . ?
Ru1 N1 H1 110.2 . . ?
Ru2 N1 H1 110.2 . . ?
C7 N2 Ru2 124.6(3) . . ?
C7 N2 Ru1 123.4(4) . . ?
Ru2 N2 Ru1 72.21(14) . . ?
C7 N2 H2 110.5 . . ?
Ru2 N2 H2 110.5 . . ?
Ru1 N2 H2 110.5 . . ?
C6 C1 C2 118.1(5) . . ?
C6 C1 N1 121.7(5) . . ?
C2 C1 N1 120.2(5) . . ?
C3 C2 C1 120.6(6) . . ?
C3 C2 H2A 119.7 . . ?
C1 C2 H2A 119.7 . . ?
C4 C3 C2 120.6(6) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C5 C4 C3 119.7(6) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 119.4(6) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C1 C6 C5 121.7(6) . . ?
C1 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C12 C7 C8 117.6(6) . . ?
C12 C7 N2 123.7(5) . . ?
C8 C7 N2 118.7(5) . . ?
C9 C8 C7 120.5(6) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C10 C9 C8 119.9(7) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C11 C10 C9 120.2(7) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 119.9(6) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C7 121.9(6) . . ?
C11 C12 H12 119.0 . . ?
C7 C12 H12 119.0 . . ?
C14 C13 C17 106.8(7) . . ?
C14 C13 C18 126.6(10) . . ?
C17 C13 C18 126.4(9) . . ?
C14 C13 Ru1 69.7(4) . . ?
C17 C13 Ru1 70.2(3) . . ?
C18 C13 Ru1 129.1(5) . . ?
C13 C14 C15 109.3(8) . . ?
C13 C14 C19 122.6(12) . . ?
C15 C14 C19 127.5(12) . . ?
C13 C14 Ru1 74.2(4) . . ?
C15 C14 Ru1 72.4(5) . . ?
C19 C14 Ru1 126.5(6) . . ?
C16 C15 C14 108.5(8) . . ?
C16 C15 C20 127.1(13) . . ?
C14 C15 C20 124.0(13) . . ?
C16 C15 Ru1 73.0(4) . . ?
C14 C15 Ru1 71.0(5) . . ?
C20 C15 Ru1 127.1(6) . . ?
C15 C16 C17 108.2(7) . . ?
C15 C16 C21 124.8(11) . . ?
C17 C16 C21 126.6(10) . . ?
C15 C16 Ru1 71.5(4) . . ?
C17 C16 Ru1 70.8(3) . . ?
C21 C16 Ru1 129.0(5) . . ?
C13 C17 C16 107.0(6) . . ?
C13 C17 C22 125.9(8) . . ?
C16 C17 C22 126.7(8) . . ?
C13 C17 Ru1 73.1(4) . . ?
C16 C17 Ru1 72.0(4) . . ?
C22 C17 Ru1 125.3(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 . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C27 C23 C24 106.5(5) . . ?
C27 C23 C28 127.3(7) . . ?
C24 C23 C28 125.9(6) . . ?
C27 C23 Ru2 70.1(3) . . ?
C24 C23 Ru2 70.5(3) . . ?
C28 C23 Ru2 128.8(4) . . ?
C23 C24 C25 107.6(6) . . ?
C23 C24 C29 126.3(6) . . ?
C25 C24 C29 125.8(7) . . ?
C23 C24 Ru2 72.6(3) . . ?
C25 C24 Ru2 71.6(4) . . ?
C29 C24 Ru2 126.1(4) . . ?
C26 C25 C24 108.1(6) . . ?
C26 C25 C30 126.2(7) . . ?
C24 C25 C30 125.2(7) . . ?
C26 C25 Ru2 71.9(4) . . ?
C24 C25 Ru2 71.0(3) . . ?
C30 C25 Ru2 129.1(5) . . ?
C25 C26 C27 107.4(5) . . ?
C25 C26 C31 126.2(7) . . ?
C27 C26 C31 126.1(7) . . ?
C25 C26 Ru2 71.7(4) . . ?
C27 C26 Ru2 70.8(3) . . ?
C31 C26 Ru2 127.8(4) . . ?
C26 C27 C23 110.3(6) . . ?
C26 C27 C32 124.0(6) . . ?
C23 C27 C32 125.4(6) . . ?
C26 C27 Ru2 72.6(3) . . ?
C23 C27 Ru2 73.4(3) . . ?
C32 C27 Ru2 125.4(5) . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 H31A 109.5 . . ?
C26 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C26 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C27 C32 H32A 109.5 . . ?
C27 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C27 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?

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
Ru1 N1 C1 C6 41.1(7) . . . . ?
Ru2 N1 C1 C6 -50.2(7) . . . . ?
Ru1 N1 C1 C2 -140.6(5) . . . . ?
Ru2 N1 C1 C2 128.1(5) . . . . ?
C6 C1 C2 C3 1.5(9) . . . . ?
N1 C1 C2 C3 -176.8(6) . . . . ?
C1 C2 C3 C4 -0.3(10) . . . . ?
C2 C3 C4 C5 -1.1(11) . . . . ?
C3 C4 C5 C6 1.2(10) . . . . ?
C2 C1 C6 C5 -1.4(9) . . . . ?
N1 C1 C6 C5 176.9(5) . . . . ?
C4 C5 C6 C1 0.1(9) . . . . ?
Ru2 N2 C7 C12 43.3(8) . . . . ?
Ru1 N2 C7 C12 -47.3(7) . . . . ?
Ru2 N2 C7 C8 -136.2(5) . . . . ?
Ru1 N2 C7 C8 133.2(5) . . . . ?
C12 C7 C8 C9 0.8(11) . . . . ?
N2 C7 C8 C9 -179.6(7) . . . . ?
C7 C8 C9 C10 0.2(13) . . . . ?
C8 C9 C10 C11 -1.3(13) . . . . ?
C9 C10 C11 C12 1.4(12) . . . . ?
C10 C11 C12 C7 -0.3(10) . . . . ?
C8 C7 C12 C11 -0.8(10) . . . . ?
N2 C7 C12 C11 179.7(6) . . . . ?
C17 C13 C14 C15 3.7(8) . . . . ?
C18 C13 C14 C15 -171.3(7) . . . . ?
Ru1 C13 C14 C15 64.5(6) . . . . ?
C17 C13 C14 C19 175.6(7) . . . . ?
C18 C13 C14 C19 0.6(12) . . . . ?
Ru1 C13 C14 C19 -123.6(8) . . . . ?
C17 C13 C14 Ru1 -60.7(5) . . . . ?
C18 C13 C14 Ru1 124.2(7) . . . . ?
C13 C14 C15 C16 -1.8(9) . . . . ?
C19 C14 C15 C16 -173.2(7) . . . . ?
Ru1 C14 C15 C16 63.8(6) . . . . ?
C13 C14 C15 C20 171.9(7) . . . . ?
C19 C14 C15 C20 0.5(14) . . . . ?
Ru1 C14 C15 C20 -122.5(8) . . . . ?
C13 C14 C15 Ru1 -65.6(5) . . . . ?
C19 C14 C15 Ru1 123.0(8) . . . . ?
C14 C15 C16 C17 -0.8(9) . . . . ?
C20 C15 C16 C17 -174.3(7) . . . . ?
Ru1 C15 C16 C17 61.7(5) . . . . ?
C14 C15 C16 C21 172.3(7) . . . . ?
C20 C15 C16 C21 -1.2(13) . . . . ?
Ru1 C15 C16 C21 -125.2(7) . . . . ?
C14 C15 C16 Ru1 -62.5(6) . . . . ?
C20 C15 C16 Ru1 124.0(9) . . . . ?
C14 C13 C17 C16 -4.1(7) . . . . ?
C18 C13 C17 C16 170.9(6) . . . . ?
Ru1 C13 C17 C16 -64.5(4) . . . . ?
C14 C13 C17 C22 -177.8(6) . . . . ?
C18 C13 C17 C22 -2.8(11) . . . . ?
Ru1 C13 C17 C22 121.8(6) . . . . ?
C14 C13 C17 Ru1 60.4(5) . . . . ?
C18 C13 C17 Ru1 -124.5(7) . . . . ?
C15 C16 C17 C13 3.1(8) . . . . ?
C21 C16 C17 C13 -169.9(7) . . . . ?
Ru1 C16 C17 C13 65.2(4) . . . . ?
C15 C16 C17 C22 176.7(7) . . . . ?
C21 C16 C17 C22 3.8(11) . . . . ?
Ru1 C16 C17 C22 -121.1(7) . . . . ?
C15 C16 C17 Ru1 -62.2(5) . . . . ?
C21 C16 C17 Ru1 124.9(7) . . . . ?
C27 C23 C24 C25 -2.1(7) . . . . ?
C28 C23 C24 C25 172.3(6) . . . . ?
Ru2 C23 C24 C25 -63.4(4) . . . . ?
C27 C23 C24 C29 -176.3(6) . . . . ?
C28 C23 C24 C29 -1.9(10) . . . . ?
Ru2 C23 C24 C29 122.4(6) . . . . ?
C27 C23 C24 Ru2 61.3(4) . . . . ?
C28 C23 C24 Ru2 -124.3(6) . . . . ?
C23 C24 C25 C26 1.3(7) . . . . ?
C29 C24 C25 C26 175.6(6) . . . . ?
Ru2 C24 C25 C26 -62.7(4) . . . . ?
C23 C24 C25 C30 -170.9(6) . . . . ?
C29 C24 C25 C30 3.4(10) . . . . ?
Ru2 C24 C25 C30 125.1(6) . . . . ?
C23 C24 C25 Ru2 64.1(4) . . . . ?
C29 C24 C25 Ru2 -121.7(6) . . . . ?
C24 C25 C26 C27 0.0(7) . . . . ?
C30 C25 C26 C27 172.1(6) . . . . ?
Ru2 C25 C26 C27 -62.2(4) . . . . ?
C24 C25 C26 C31 -173.8(6) . . . . ?
C30 C25 C26 C31 -1.7(11) . . . . ?
Ru2 C25 C26 C31 124.0(6) . . . . ?
C24 C25 C26 Ru2 62.2(4) . . . . ?
C30 C25 C26 Ru2 -125.7(7) . . . . ?
C25 C26 C27 C23 -1.4(7) . . . . ?
C31 C26 C27 C23 172.4(6) . . . . ?
Ru2 C26 C27 C23 -64.2(4) . . . . ?
C25 C26 C27 C32 -175.8(6) . . . . ?
C31 C26 C27 C32 -2.0(10) . . . . ?
Ru2 C26 C27 C32 121.4(6) . . . . ?
C25 C26 C27 Ru2 62.8(4) . . . . ?
C31 C26 C27 Ru2 -123.4(6) . . . . ?
C24 C23 C27 C26 2.2(7) . . . . ?
C28 C23 C27 C26 -172.1(6) . . . . ?
Ru2 C23 C27 C26 63.7(4) . . . . ?
C24 C23 C27 C32 176.5(6) . . . . ?
C28 C23 C27 C32 2.2(11) . . . . ?
Ru2 C23 C27 C32 -122.0(6) . . . . ?
C24 C23 C27 Ru2 -61.5(4) . . . . ?
C28 C23 C27 Ru2 124.2(6) . . . . ?

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.





#==============================================================================
#     End of CIF
#==============================================================================
