#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:36:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179385 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/82/4328281.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4328281
loop_
_publ_author_name
'Holger Braunschweig'
'Rainer Dörfler'
'Kai Hammond'
'Thomas Kramer'
'Jan Mies'
'Krzysztof Radacki'
'Marius Schäfer'
_publ_contact_author_address
; Institut fuer Anorganische Chemie
Universitaet Wuerzburg
Am Hubland
97074 Wuerzburg, Germany
;
_publ_contact_author_email       H.Braunschweig@mail.uni-wuerzburg.de
_publ_contact_author_fax         +49-931-3184623
_publ_contact_author_name        'Prof. Dr. Holger Braunschweig'
_publ_contact_author_phone       +49-931-3185260
_publ_section_title
;
 Synthesis and Structure of Distanna and Tristanna Ansa Half-Sandwich
 Complexes of Ruthenium and Nickel
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1225
_journal_page_last               1227
_journal_paper_doi               10.1021/ic202512y
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C23 H41 Cl O2 Ru Sn2'
_chemical_formula_sum            'C23 H41 Cl O2 Ru Sn2'
_chemical_formula_weight         723.46
_chemical_name_common
;
?
;
_chemical_name_systematic
; 
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.763(3)
_cell_angle_beta                 102.369(3)
_cell_angle_gamma                100.716(3)
_cell_formula_units_Z            2
_cell_length_a                   8.9439(8)
_cell_length_b                   9.6273(8)
_cell_length_c                   16.6354(14)
_cell_measurement_reflns_used    8026
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.38
_cell_volume                     1371.0(2)
_computing_cell_refinement       'Saint+ ver. 7.68A (Bruker AXS)'
_computing_data_collection       'APEX2 ver. 2010.3 (Bruker AXS)'
_computing_data_reduction        'Saint+ ver. 7.68A (Bruker AXS)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker X8-APEX II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multi-layer mirror'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24552
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    2.464
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5976
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2008/1 (Bruker 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_description       plate
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     274
_refine_ls_number_reflns         6672
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0173
_refine_ls_R_factor_gt           0.0157
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0119P)²+0.5509P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0381
_refine_ls_wR_factor_ref         0.0389
_reflns_number_gt                6318
_reflns_number_total             6672
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202512y_si_001_1.cif
_cod_data_source_block           1
_cod_database_code               4328281
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.934826(14) 1.063763(12) 0.184892(7) 0.01424(3) Uani 1 1 d .
C1 C 0.86917(19) 1.02597(17) 0.07086(10) 0.0182(3) Uani 1 1 d .
O1 O 0.82910(14) 1.00605(13) 0.00030(7) 0.0244(3) Uani 1 1 d .
C2 C 0.7512(2) 1.12846(16) 0.18785(10) 0.0192(3) Uani 1 1 d .
O2 O 0.64562(14) 1.17862(12) 0.19024(8) 0.0252(3) Uani 1 1 d .
C1_1 C 1.19181(19) 1.05883(18) 0.21323(11) 0.0230(3) Uani 1 1 d .
H1_1 H 1.2335 0.9975 0.1820 0.028 Uiso 1 1 calc R
C2_1 C 1.13613(19) 1.02667(18) 0.28566(10) 0.0214(3) Uani 1 1 d .
H2_1 H 1.1364 0.9407 0.3122 0.026 Uiso 1 1 calc R
C3_1 C 1.0805(2) 1.14449(18) 0.31133(10) 0.0234(3) Uani 1 1 d .
H3_1 H 1.0342 1.1509 0.3573 0.028 Uiso 1 1 calc R
C4_1 C 1.1059(2) 1.25215(18) 0.25622(12) 0.0274(4) Uani 1 1 d .
H4_1 H 1.0813 1.3437 0.2596 0.033 Uiso 1 1 calc R
C5_1 C 1.1739(2) 1.19945(19) 0.19581(12) 0.0265(4) Uani 1 1 d .
H5_1 H 1.2027 1.2490 0.1512 0.032 Uiso 1 1 calc R
Sn1 Sn 0.791879(11) 0.794168(10) 0.187203(6) 0.01107(3) Uani 1 1 d .
C1_2 C 0.93258(18) 0.64895(16) 0.14641(9) 0.0150(3) Uani 1 1 d .
C2_2 C 0.9804(2) 0.69767(18) 0.06708(10) 0.0214(3) Uani 1 1 d .
H2A_2 H 1.0442 0.6348 0.0500 0.032 Uiso 1 1 calc R
H2B_2 H 1.0409 0.7949 0.0772 0.032 Uiso 1 1 calc R
H2C_2 H 0.8866 0.6945 0.0234 0.032 Uiso 1 1 calc R
C3_2 C 0.8374(2) 0.49785(17) 0.12963(10) 0.0205(3) Uani 1 1 d .
H3A_2 H 0.7476 0.4946 0.0835 0.031 Uiso 1 1 calc R
H3B_2 H 0.8005 0.4680 0.1790 0.031 Uiso 1 1 calc R
H3C_2 H 0.9030 0.4339 0.1157 0.031 Uiso 1 1 calc R
C4_2 C 1.07923(19) 0.65274(17) 0.21348(10) 0.0192(3) Uani 1 1 d .
H4A_2 H 1.0498 0.6276 0.2654 0.029 Uiso 1 1 calc R
H4B_2 H 1.1439 0.7483 0.2209 0.029 Uiso 1 1 calc R
H4C_2 H 1.1384 0.5847 0.1973 0.029 Uiso 1 1 calc R
C1_3 C 0.55036(18) 0.73643(17) 0.10979(9) 0.0170(3) Uani 1 1 d .
C2_3 C 0.4609(2) 0.85423(19) 0.11835(11) 0.0256(4) Uani 1 1 d .
H2A_3 H 0.3515 0.8229 0.0893 0.038 Uiso 1 1 calc R
H2B_3 H 0.5074 0.9389 0.0944 0.038 Uiso 1 1 calc R
H2C_3 H 0.4662 0.8767 0.1769 0.038 Uiso 1 1 calc R
C3_3 C 0.46482(19) 0.60003(17) 0.13756(10) 0.0198(3) Uani 1 1 d .
H3A_3 H 0.3603 0.5722 0.1016 0.030 Uiso 1 1 calc R
H3B_3 H 0.4558 0.6161 0.1946 0.030 Uiso 1 1 calc R
H3C_3 H 0.5235 0.5244 0.1342 0.030 Uiso 1 1 calc R
C4_3 C 0.5540(2) 0.71415(19) 0.01858(10) 0.0236(4) Uani 1 1 d .
H4A_3 H 0.6031 0.6332 0.0110 0.035 Uiso 1 1 calc R
H4B_3 H 0.6141 0.7995 0.0015 0.035 Uiso 1 1 calc R
H4C_3 H 0.4471 0.6955 -0.0151 0.035 Uiso 1 1 calc R
Sn2 Sn 0.755987(12) 0.719280(10) 0.347399(6) 0.01241(3) Uani 1 1 d .
Cl1 Cl 1.01183(5) 0.80197(4) 0.43504(2) 0.02324(8) Uani 1 1 d .
C1_4 C 0.61822(19) 0.84772(17) 0.40231(9) 0.0172(3) Uani 1 1 d .
C2_4 C 0.4463(2) 0.7777(2) 0.37495(11) 0.0247(4) Uani 1 1 d .
H2A_4 H 0.3830 0.8353 0.3973 0.037 Uiso 1 1 calc R
H2B_4 H 0.4299 0.6829 0.3954 0.037 Uiso 1 1 calc R
H2C_4 H 0.4153 0.7698 0.3146 0.037 Uiso 1 1 calc R
C3_4 C 0.6460(2) 0.99573(18) 0.37145(11) 0.0266(4) Uani 1 1 d .
H3A_4 H 0.6123 0.9893 0.3112 0.040 Uiso 1 1 calc R
H3B_4 H 0.7574 1.0383 0.3878 0.040 Uiso 1 1 calc R
H3C_4 H 0.5861 1.0547 0.3955 0.040 Uiso 1 1 calc R
C4_4 C 0.6698(2) 0.86045(19) 0.49623(10) 0.0251(4) Uani 1 1 d .
H4A_4 H 0.7814 0.9024 0.5127 0.038 Uiso 1 1 calc R
H4B_4 H 0.6508 0.7661 0.5171 0.038 Uiso 1 1 calc R
H4C_4 H 0.6102 0.9210 0.5193 0.038 Uiso 1 1 calc R
C1_5 C 0.71785(19) 0.49805(17) 0.38290(10) 0.0195(3) Uani 1 1 d .
C2_5 C 0.8523(2) 0.43025(18) 0.36852(11) 0.0257(4) Uani 1 1 d .
H2A_5 H 0.8412 0.3351 0.3887 0.039 Uiso 1 1 calc R
H2B_5 H 0.9518 0.4886 0.3983 0.039 Uiso 1 1 calc R
H2C_5 H 0.8502 0.4236 0.3094 0.039 Uiso 1 1 calc R
C3_5 C 0.5632(2) 0.41294(18) 0.33266(12) 0.0266(4) Uani 1 1 d .
H3A_5 H 0.5473 0.3162 0.3504 0.040 Uiso 1 1 calc R
H3B_5 H 0.5653 0.4099 0.2740 0.040 Uiso 1 1 calc R
H3C_5 H 0.4777 0.4580 0.3413 0.040 Uiso 1 1 calc R
C4_5 C 0.7187(2) 0.5007(2) 0.47479(11) 0.0277(4) Uani 1 1 d .
H4A_5 H 0.6270 0.5353 0.4842 0.042 Uiso 1 1 calc R
H4B_5 H 0.8138 0.5638 0.5059 0.042 Uiso 1 1 calc R
H4C_5 H 0.7156 0.4048 0.4933 0.042 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
C1 Ru1 C2 90.38(7)
C1 Ru1 C3_1 162.33(7)
C2 Ru1 C3_1 100.68(7)
C1 Ru1 C1_1 104.89(7)
C2 Ru1 C1_1 158.64(7)
C3_1 Ru1 C1_1 61.12(6)
C1 Ru1 C5_1 101.22(7)
C2 Ru1 C5_1 126.34(7)
C3_1 Ru1 C5_1 61.12(7)
C1_1 Ru1 C5_1 36.80(6)
C1 Ru1 C4_1 128.45(7)
C2 Ru1 C4_1 97.79(7)
C3_1 Ru1 C4_1 36.80(6)
C1_1 Ru1 C4_1 61.04(6)
C5_1 Ru1 C4_1 36.34(7)
C1 Ru1 C2_1 136.72(7)
C2 Ru1 C2_1 132.56(7)
C3_1 Ru1 C2_1 36.30(6)
C1_1 Ru1 C2_1 36.58(6)
C5_1 Ru1 C2_1 60.95(6)
C4_1 Ru1 C2_1 60.79(6)
C1 Ru1 Sn1 83.25(5)
C2 Ru1 Sn1 91.48(5)
C3_1 Ru1 Sn1 109.94(5)
C1_1 Ru1 Sn1 104.89(4)
C5_1 Ru1 Sn1 141.54(5)
C4_1 Ru1 Sn1 146.57(5)
C2_1 Ru1 Sn1 89.51(4)
O1 C1 Ru1 178.38(14)
O2 C2 Ru1 174.62(14)
C2_1 C1_1 C5_1 107.69(15)
C2_1 C1_1 Ru1 72.37(9)
C5_1 C1_1 Ru1 71.65(10)
C2_1 C1_1 H1_1 126.2
C5_1 C1_1 H1_1 126.2
Ru1 C1_1 H1_1 121.6
C3_1 C2_1 C1_1 108.14(15)
C3_1 C2_1 Ru1 71.10(9)
C1_1 C2_1 Ru1 71.06(9)
C3_1 C2_1 H2_1 125.9
C1_1 C2_1 H2_1 125.9
Ru1 C2_1 H2_1 123.5
C2_1 C3_1 C4_1 107.97(15)
C2_1 C3_1 Ru1 72.60(9)
C4_1 C3_1 Ru1 71.78(10)
C2_1 C3_1 H3_1 126.0
C4_1 C3_1 H3_1 126.0
Ru1 C3_1 H3_1 121.3
C5_1 C4_1 C3_1 108.13(15)
C5_1 C4_1 Ru1 71.78(10)
C3_1 C4_1 Ru1 71.42(9)
C5_1 C4_1 H4_1 125.9
C3_1 C4_1 H4_1 125.9
Ru1 C4_1 H4_1 122.5
C4_1 C5_1 C1_1 108.04(16)
C4_1 C5_1 Ru1 71.87(10)
C1_1 C5_1 Ru1 71.55(10)
C4_1 C5_1 H5_1 126.0
C1_1 C5_1 H5_1 126.0
Ru1 C5_1 H5_1 122.3
C1_3 Sn1 C1_2 108.01(6)
C1_3 Sn1 Ru1 115.28(4)
C1_2 Sn1 Ru1 109.80(4)
C1_3 Sn1 Sn2 103.67(4)
C1_2 Sn1 Sn2 106.33(4)
Ru1 Sn1 Sn2 113.186(5)
C4_2 C1_2 C3_2 109.82(13)
C4_2 C1_2 C2_2 108.94(13)
C3_2 C1_2 C2_2 108.90(13)
C4_2 C1_2 Sn1 109.17(10)
C3_2 C1_2 Sn1 110.30(10)
C2_2 C1_2 Sn1 109.69(10)
C1_2 C2_2 H2A_2 109.5
C1_2 C2_2 H2B_2 109.5
H2A_2 C2_2 H2B_2 109.5
C1_2 C2_2 H2C_2 109.5
H2A_2 C2_2 H2C_2 109.5
H2B_2 C2_2 H2C_2 109.5
C1_2 C3_2 H3A_2 109.5
C1_2 C3_2 H3B_2 109.5
H3A_2 C3_2 H3B_2 109.5
C1_2 C3_2 H3C_2 109.5
H3A_2 C3_2 H3C_2 109.5
H3B_2 C3_2 H3C_2 109.5
C1_2 C4_2 H4A_2 109.5
C1_2 C4_2 H4B_2 109.5
H4A_2 C4_2 H4B_2 109.5
C1_2 C4_2 H4C_2 109.5
H4A_2 C4_2 H4C_2 109.5
H4B_2 C4_2 H4C_2 109.5
C2_3 C1_3 C3_3 108.85(13)
C2_3 C1_3 C4_3 108.22(13)
C3_3 C1_3 C4_3 109.34(13)
C2_3 C1_3 Sn1 110.36(10)
C3_3 C1_3 Sn1 109.57(10)
C4_3 C1_3 Sn1 110.46(10)
C1_3 C2_3 H2A_3 109.5
C1_3 C2_3 H2B_3 109.5
H2A_3 C2_3 H2B_3 109.5
C1_3 C2_3 H2C_3 109.5
H2A_3 C2_3 H2C_3 109.5
H2B_3 C2_3 H2C_3 109.5
C1_3 C3_3 H3A_3 109.5
C1_3 C3_3 H3B_3 109.5
H3A_3 C3_3 H3B_3 109.5
C1_3 C3_3 H3C_3 109.5
H3A_3 C3_3 H3C_3 109.5
H3B_3 C3_3 H3C_3 109.5
C1_3 C4_3 H4A_3 109.5
C1_3 C4_3 H4B_3 109.5
H4A_3 C4_3 H4B_3 109.5
C1_3 C4_3 H4C_3 109.5
H4A_3 C4_3 H4C_3 109.5
H4B_3 C4_3 H4C_3 109.5
C1_4 Sn2 C1_5 111.95(6)
C1_4 Sn2 Cl1 100.71(4)
C1_5 Sn2 Cl1 98.19(5)
C1_4 Sn2 Sn1 113.76(4)
C1_5 Sn2 Sn1 123.38(4)
Cl1 Sn2 Sn1 104.250(12)
C2_4 C1_4 C3_4 110.31(14)
C2_4 C1_4 C4_4 110.55(13)
C3_4 C1_4 C4_4 108.55(14)
C2_4 C1_4 Sn2 108.42(10)
C3_4 C1_4 Sn2 108.24(10)
C4_4 C1_4 Sn2 110.75(11)
C1_4 C2_4 H2A_4 109.5
C1_4 C2_4 H2B_4 109.5
H2A_4 C2_4 H2B_4 109.5
C1_4 C2_4 H2C_4 109.5
H2A_4 C2_4 H2C_4 109.5
H2B_4 C2_4 H2C_4 109.5
C1_4 C3_4 H3A_4 109.5
C1_4 C3_4 H3B_4 109.5
H3A_4 C3_4 H3B_4 109.5
C1_4 C3_4 H3C_4 109.5
H3A_4 C3_4 H3C_4 109.5
H3B_4 C3_4 H3C_4 109.5
C1_4 C4_4 H4A_4 109.5
C1_4 C4_4 H4B_4 109.5
H4A_4 C4_4 H4B_4 109.5
C1_4 C4_4 H4C_4 109.5
H4A_4 C4_4 H4C_4 109.5
H4B_4 C4_4 H4C_4 109.5
C3_5 C1_5 C4_5 110.31(14)
C3_5 C1_5 C2_5 109.86(14)
C4_5 C1_5 C2_5 108.53(14)
C3_5 C1_5 Sn2 110.80(11)
C4_5 C1_5 Sn2 108.29(11)
C2_5 C1_5 Sn2 108.99(11)
C1_5 C2_5 H2A_5 109.5
C1_5 C2_5 H2B_5 109.5
H2A_5 C2_5 H2B_5 109.5
C1_5 C2_5 H2C_5 109.5
H2A_5 C2_5 H2C_5 109.5
H2B_5 C2_5 H2C_5 109.5
C1_5 C3_5 H3A_5 109.5
C1_5 C3_5 H3B_5 109.5
H3A_5 C3_5 H3B_5 109.5
C1_5 C3_5 H3C_5 109.5
H3A_5 C3_5 H3C_5 109.5
H3B_5 C3_5 H3C_5 109.5
C1_5 C4_5 H4A_5 109.5
C1_5 C4_5 H4B_5 109.5
H4A_5 C4_5 H4B_5 109.5
C1_5 C4_5 H4C_5 109.5
H4A_5 C4_5 H4C_5 109.5
H4B_5 C4_5 H4C_5 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ru1 C1 1.8645(16)
Ru1 C2 1.8713(17)
Ru1 C3_1 2.2527(16)
Ru1 C1_1 2.2550(17)
Ru1 C5_1 2.2563(17)
Ru1 C4_1 2.2575(17)
Ru1 C2_1 2.2721(16)
Ru1 Sn1 2.6769(3)
C1 O1 1.150(2)
C2 O2 1.145(2)
C1_1 C2_1 1.421(2)
C1_1 C5_1 1.424(2)
C1_1 H1_1 0.9500
C2_1 C3_1 1.410(2)
C2_1 H2_1 0.9500
C3_1 C4_1 1.424(3)
C3_1 H3_1 0.9500
C4_1 C5_1 1.408(3)
C4_1 H4_1 0.9500
C5_1 H5_1 0.9500
Sn1 C1_3 2.2251(16)
Sn1 C1_2 2.2272(15)
Sn1 Sn2 2.8502(3)
C1_2 C4_2 1.523(2)
C1_2 C3_2 1.527(2)
C1_2 C2_2 1.533(2)
C2_2 H2A_2 0.9800
C2_2 H2B_2 0.9800
C2_2 H2C_2 0.9800
C3_2 H3A_2 0.9800
C3_2 H3B_2 0.9800
C3_2 H3C_2 0.9800
C4_2 H4A_2 0.9800
C4_2 H4B_2 0.9800
C4_2 H4C_2 0.9800
C1_3 C2_3 1.524(2)
C1_3 C3_3 1.529(2)
C1_3 C4_3 1.534(2)
C2_3 H2A_3 0.9800
C2_3 H2B_3 0.9800
C2_3 H2C_3 0.9800
C3_3 H3A_3 0.9800
C3_3 H3B_3 0.9800
C3_3 H3C_3 0.9800
C4_3 H4A_3 0.9800
C4_3 H4B_3 0.9800
C4_3 H4C_3 0.9800
Sn2 C1_4 2.2048(15)
Sn2 C1_5 2.2124(16)
Sn2 Cl1 2.4119(4)
C1_4 C2_4 1.524(2)
C1_4 C3_4 1.524(2)
C1_4 C4_4 1.526(2)
C2_4 H2A_4 0.9800
C2_4 H2B_4 0.9800
C2_4 H2C_4 0.9800
C3_4 H3A_4 0.9800
C3_4 H3B_4 0.9800
C3_4 H3C_4 0.9800
C4_4 H4A_4 0.9800
C4_4 H4B_4 0.9800
C4_4 H4C_4 0.9800
C1_5 C3_5 1.524(2)
C1_5 C4_5 1.527(2)
C1_5 C2_5 1.528(2)
C2_5 H2A_5 0.9800
C2_5 H2B_5 0.9800
C2_5 H2C_5 0.9800
C3_5 H3A_5 0.9800
C3_5 H3B_5 0.9800
C3_5 H3C_5 0.9800
C4_5 H4A_5 0.9800
C4_5 H4B_5 0.9800
C4_5 H4C_5 0.9800
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
C1 Ru1 C1_1 C2_1 -154.93(10)
C2 Ru1 C1_1 C2_1 70.8(2)
C3_1 Ru1 C1_1 C2_1 36.76(10)
C5_1 Ru1 C1_1 C2_1 116.19(15)
C4_1 Ru1 C1_1 C2_1 79.04(11)
Sn1 Ru1 C1_1 C2_1 -68.09(10)
C1 Ru1 C1_1 C5_1 88.88(11)
C2 Ru1 C1_1 C5_1 -45.4(2)
C3_1 Ru1 C1_1 C5_1 -79.43(11)
C4_1 Ru1 C1_1 C5_1 -37.15(11)
C2_1 Ru1 C1_1 C5_1 -116.19(15)
Sn1 Ru1 C1_1 C5_1 175.72(9)
C5_1 C1_1 C2_1 C3_1 1.59(19)
Ru1 C1_1 C2_1 C3_1 -61.78(11)
C5_1 C1_1 C2_1 Ru1 63.38(12)
C1 Ru1 C2_1 C3_1 154.41(11)
C2 Ru1 C2_1 C3_1 -34.43(14)
C1_1 Ru1 C2_1 C3_1 117.73(15)
C5_1 Ru1 C2_1 C3_1 79.79(11)
C4_1 Ru1 C2_1 C3_1 37.96(10)
Sn1 Ru1 C2_1 C3_1 -125.99(10)
C1 Ru1 C2_1 C1_1 36.68(14)
C2 Ru1 C2_1 C1_1 -152.16(10)
C3_1 Ru1 C2_1 C1_1 -117.73(15)
C5_1 Ru1 C2_1 C1_1 -37.94(10)
C4_1 Ru1 C2_1 C1_1 -79.78(11)
Sn1 Ru1 C2_1 C1_1 116.28(9)
C1_1 C2_1 C3_1 C4_1 -1.75(19)
Ru1 C2_1 C3_1 C4_1 -63.51(12)
C1_1 C2_1 C3_1 Ru1 61.76(12)
C1 Ru1 C3_1 C2_1 -77.2(2)
C2 Ru1 C3_1 C2_1 154.93(10)
C1_1 Ru1 C3_1 C2_1 -37.04(10)
C5_1 Ru1 C3_1 C2_1 -79.30(11)
C4_1 Ru1 C3_1 C2_1 -116.33(15)
Sn1 Ru1 C3_1 C2_1 59.40(10)
C1 Ru1 C3_1 C4_1 39.1(3)
C2 Ru1 C3_1 C4_1 -88.75(11)
C1_1 Ru1 C3_1 C4_1 79.29(11)
C5_1 Ru1 C3_1 C4_1 37.03(10)
C2_1 Ru1 C3_1 C4_1 116.33(15)
Sn1 Ru1 C3_1 C4_1 175.73(9)
C2_1 C3_1 C4_1 C5_1 1.2(2)
Ru1 C3_1 C4_1 C5_1 -62.80(12)
C2_1 C3_1 C4_1 Ru1 64.04(11)
C1 Ru1 C4_1 C5_1 -48.69(13)
C2 Ru1 C4_1 C5_1 -145.41(11)
C3_1 Ru1 C4_1 C5_1 117.15(15)
C1_1 Ru1 C4_1 C5_1 37.62(10)
C2_1 Ru1 C4_1 C5_1 79.71(11)
Sn1 Ru1 C4_1 C5_1 109.84(12)
C1 Ru1 C4_1 C3_1 -165.84(10)
C2 Ru1 C4_1 C3_1 97.44(11)
C1_1 Ru1 C4_1 C3_1 -79.53(11)
C5_1 Ru1 C4_1 C3_1 -117.15(15)
C2_1 Ru1 C4_1 C3_1 -37.44(10)
Sn1 Ru1 C4_1 C3_1 -7.31(15)
C3_1 C4_1 C5_1 C1_1 -0.3(2)
Ru1 C4_1 C5_1 C1_1 -62.82(12)
C3_1 C4_1 C5_1 Ru1 62.56(12)
C2_1 C1_1 C5_1 C4_1 -0.82(19)
Ru1 C1_1 C5_1 C4_1 63.02(12)
C2_1 C1_1 C5_1 Ru1 -63.85(11)
C1 Ru1 C5_1 C4_1 143.15(11)
C2 Ru1 C5_1 C4_1 44.29(13)
C3_1 Ru1 C5_1 C4_1 -37.49(10)
C1_1 Ru1 C5_1 C4_1 -116.92(15)
C2_1 Ru1 C5_1 C4_1 -79.21(11)
Sn1 Ru1 C5_1 C4_1 -123.58(10)
C1 Ru1 C5_1 C1_1 -99.93(11)
C2 Ru1 C5_1 C1_1 161.21(10)
C3_1 Ru1 C5_1 C1_1 79.43(11)
C4_1 Ru1 C5_1 C1_1 116.92(15)
C2_1 Ru1 C5_1 C1_1 37.71(10)
Sn1 Ru1 C5_1 C1_1 -6.66(15)
C1 Ru1 Sn1 C1_3 -49.65(7)
C2 Ru1 Sn1 C1_3 40.55(7)
C3_1 Ru1 Sn1 C1_3 142.47(6)
C1_1 Ru1 Sn1 C1_3 -153.32(6)
C5_1 Ru1 Sn1 C1_3 -149.20(9)
C4_1 Ru1 Sn1 C1_3 147.12(10)
C2_1 Ru1 Sn1 C1_3 173.11(6)
C1 Ru1 Sn1 C1_2 72.59(6)
C2 Ru1 Sn1 C1_2 162.79(6)
C3_1 Ru1 Sn1 C1_2 -95.28(6)
C1_1 Ru1 Sn1 C1_2 -31.08(6)
C5_1 Ru1 Sn1 C1_2 -26.96(9)
C4_1 Ru1 Sn1 C1_2 -90.63(10)
C2_1 Ru1 Sn1 C1_2 -64.64(6)
C1 Ru1 Sn1 Sn2 -168.77(5)
C2 Ru1 Sn1 Sn2 -78.57(5)
C3_1 Ru1 Sn1 Sn2 23.36(5)
C1_1 Ru1 Sn1 Sn2 87.56(5)
C5_1 Ru1 Sn1 Sn2 91.68(8)
C4_1 Ru1 Sn1 Sn2 28.01(9)
C2_1 Ru1 Sn1 Sn2 54.00(4)
C1_3 Sn1 C1_2 C4_2 -162.15(10)
Ru1 Sn1 C1_2 C4_2 71.38(10)
Sn2 Sn1 C1_2 C4_2 -51.41(10)
C1_3 Sn1 C1_2 C3_2 -41.40(12)
Ru1 Sn1 C1_2 C3_2 -167.86(9)
Sn2 Sn1 C1_2 C3_2 69.35(10)
C1_3 Sn1 C1_2 C2_2 78.55(11)
Ru1 Sn1 C1_2 C2_2 -47.92(11)
Sn2 Sn1 C1_2 C2_2 -170.71(10)
C1_2 Sn1 C1_3 C2_3 -164.91(11)
Ru1 Sn1 C1_3 C2_3 -41.71(12)
Sn2 Sn1 C1_3 C2_3 82.55(11)
C1_2 Sn1 C1_3 C3_3 75.24(11)
Ru1 Sn1 C1_3 C3_3 -161.56(9)
Sn2 Sn1 C1_3 C3_3 -37.30(10)
C1_2 Sn1 C1_3 C4_3 -45.28(12)
Ru1 Sn1 C1_3 C4_3 77.92(11)
Sn2 Sn1 C1_3 C4_3 -157.82(10)
C1_3 Sn1 Sn2 C1_4 -65.89(6)
C1_2 Sn1 Sn2 C1_4 -179.65(6)
Ru1 Sn1 Sn2 C1_4 59.71(5)
C1_3 Sn1 Sn2 C1_5 75.29(7)
C1_2 Sn1 Sn2 C1_5 -38.47(7)
Ru1 Sn1 Sn2 C1_5 -159.10(5)
C1_3 Sn1 Sn2 Cl1 -174.63(4)
C1_2 Sn1 Sn2 Cl1 71.61(4)
Ru1 Sn1 Sn2 Cl1 -49.025(12)
C1_5 Sn2 C1_4 C2_4 -57.77(12)
Cl1 Sn2 C1_4 C2_4 -161.22(10)
Sn1 Sn2 C1_4 C2_4 87.87(11)
C1_5 Sn2 C1_4 C3_4 -177.44(11)
Cl1 Sn2 C1_4 C3_4 79.12(11)
Sn1 Sn2 C1_4 C3_4 -31.80(12)
C1_5 Sn2 C1_4 C4_4 63.68(13)
Cl1 Sn2 C1_4 C4_4 -39.76(12)
Sn1 Sn2 C1_4 C4_4 -150.67(10)
C1_4 Sn2 C1_5 C3_5 77.95(12)
Cl1 Sn2 C1_5 C3_5 -176.96(11)
Sn1 Sn2 C1_5 C3_5 -63.84(12)
C1_4 Sn2 C1_5 C4_5 -43.17(13)
Cl1 Sn2 C1_5 C4_5 61.93(11)
Sn1 Sn2 C1_5 C4_5 175.05(9)
C1_4 Sn2 C1_5 C2_5 -161.05(11)
Cl1 Sn2 C1_5 C2_5 -55.96(11)
Sn1 Sn2 C1_5 C2_5 57.16(12)
