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#$Date: 2024-09-24 11:55:37 +0300 (Tue, 24 Sep 2024) $
#$Revision: 294865 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/07/7710774.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_7710774
loop_
_publ_author_name
'Taimisto, Marjaana'
'Bajorek, Tom'
'Rautiainen, J. Mikko'
'Pakkanen, Tapani A.'
'Oilunkaniemi, Raija'
'Laitinen, Risto S.'
_publ_section_title
;
 Experimental and computational investigation on the formation pathway of
 [RuCl₂(CO)₂(ERR')₂] (E = S, Se, Te; R,
 R' = Me, Ph) from [RuCl₂(CO)₃]₂ and
 ERR'.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d2dt02018a
_journal_year                    2022
_chemical_formula_sum            'C16 H16 Cl2 O2 Ru Te2'
_chemical_formula_weight         667.45
_chemical_name_systematic
;         
Dicarbonyldichloridobis(methylphenyltellurane)ruthenium
;
_chemical_properties_physical
Air-sensitive,Moisture-sensitive,Light-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-02-16 deposited with the CCDC.	2022-07-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.59(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.917(2)
_cell_length_b                   11.051(2)
_cell_length_c                   16.051(3)
_cell_measurement_reflns_used    6524
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      24.996
_cell_measurement_theta_min      2.711
_cell_volume                     1978.8(7)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Bruker, 2008)'
_computing_data_reduction        'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.946
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device_type  'Bruker Nonius Kappaccd'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0853
_diffrn_reflns_av_unetI/netI     0.0924
_diffrn_reflns_Laue_measured_fraction_full 0.946
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14981
_diffrn_reflns_point_group_measured_fraction_full 0.955
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.711
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.957
_exptl_absorpt_correction_T_max  0.9580
_exptl_absorpt_correction_T_min  0.6837
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.240
_exptl_crystal_description       block
_exptl_crystal_F_000             1240
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: dichloromethane/hexane'
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   0.649
_exptl_transmission_factor_min   0.506
_refine_diff_density_max         7.092
_refine_diff_density_min         -1.521
_refine_diff_density_rms         0.302
_refine_ls_abs_structure_details
;
 Refined as a perfect inversion twin.
;
_refine_ls_abs_structure_Flack   0.5
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     209
_refine_ls_number_reflns         6524
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.1094
_refine_ls_R_factor_gt           0.0973
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1376P)²+49.8167P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2431
_refine_ls_wR_factor_ref         0.2534
_reflns_Friedel_coverage         0.909
_reflns_Friedel_fraction_full    0.965
_reflns_Friedel_fraction_max     0.965
_reflns_number_gt                5685
_reflns_number_total             6524
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt02018a2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
;

2024-09-24
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C32 H32 Cl4 O4 Ru2 Te4'
_cod_original_formula_weight         1334.91
_cod_original_formula_units_Z            2
_cod_original_cell_volume        1978.8(8)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7710774
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.505
_shelx_estimated_absorpt_t_max   0.693
_exptl_absorpt_special_details   'XPREP in SHELXTL (Sheldrick 2008)'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C11 C 0.463(3) 0.474(4) 0.226(2) 0.041(4) Uani 1 1 d . . . . .
C12 C 0.522(3) 0.286(3) 0.347(3) 0.041(4) Uani 1 1 d . . . . .
C21 C 0.999(3) 0.410(4) 0.350(3) 0.041(4) Uani 1 1 d . . . . .
C22 C 0.934(3) 0.212(3) 0.235(2) 0.041(4) Uani 1 1 d . . . . .
C111 C 0.472(2) 0.6873(17) 0.3693(16) 0.045(3) Uani 1 1 d G . . . .
C112 C 0.5851(19) 0.7359(19) 0.4147(14) 0.045(3) Uani 1 1 d G . . . .
H112 H 0.637963 0.695459 0.463596 0.054 Uiso 1 1 calc R U . . .
C113 C 0.6186(17) 0.845(2) 0.3870(15) 0.045(3) Uani 1 1 d G . . . .
H113 H 0.693911 0.877333 0.417378 0.054 Uiso 1 1 calc R U . . .
C114 C 0.540(2) 0.9052(17) 0.3139(15) 0.045(3) Uani 1 1 d G . . . .
H114 H 0.561935 0.978099 0.295371 0.054 Uiso 1 1 calc R U . . .
C115 C 0.4269(19) 0.857(2) 0.2685(14) 0.045(3) Uani 1 1 d G . . . .
H115 H 0.374010 0.896994 0.219582 0.054 Uiso 1 1 calc R U . . .
C116 C 0.3934(17) 0.748(2) 0.2962(15) 0.045(3) Uani 1 1 d G . . . .
H116 H 0.318060 0.715121 0.265799 0.054 Uiso 1 1 calc R U . . .
C117 C 0.583(3) 0.482(3) 0.507(3) 0.045(3) Uani 1 1 d . . . . .
H11A H 0.642389 0.533382 0.498492 0.068 Uiso 1 1 calc R U . . .
H11B H 0.601934 0.398681 0.500083 0.068 Uiso 1 1 calc R U . . .
H11C H 0.582008 0.493100 0.566445 0.068 Uiso 1 1 calc R U . . .
C121 C 0.356(3) 0.284(2) 0.0433(14) 0.057(4) Uani 1 1 d G . . . .
C122 C 0.422(3) 0.232(2) -0.0034(15) 0.057(4) Uani 1 1 d G . . . .
H122 H 0.462307 0.159508 0.015967 0.068 Uiso 1 1 calc R U . . .
C123 C 0.429(3) 0.289(3) -0.0789(15) 0.057(4) Uani 1 1 d G . . . .
H123 H 0.472929 0.253912 -0.110148 0.068 Uiso 1 1 calc R U . . .
C124 C 0.369(3) 0.397(2) -0.1078(14) 0.057(4) Uani 1 1 d G . . . .
H124 H 0.372874 0.435128 -0.158384 0.068 Uiso 1 1 calc R U . . .
C125 C 0.302(3) 0.449(2) -0.0612(16) 0.057(4) Uani 1 1 d G . . . .
H125 H 0.262196 0.521943 -0.080503 0.068 Uiso 1 1 calc R U . . .
C126 C 0.296(3) 0.393(3) 0.0144(16) 0.057(4) Uani 1 1 d G . . . .
H126 H 0.251572 0.427541 0.045613 0.068 Uiso 1 1 calc R U . . .
C127 C 0.172(4) 0.170(4) 0.110(2) 0.057(4) Uani 1 1 d . . . . .
H12A H 0.131834 0.243797 0.116145 0.085 Uiso 1 1 calc R U . . .
H12B H 0.152476 0.107422 0.144279 0.085 Uiso 1 1 calc R U . . .
H12C H 0.145810 0.147232 0.048910 0.085 Uiso 1 1 calc R U . . .
C211 C 0.943(3) 0.270(3) 0.5478(15) 0.062(4) Uani 1 1 d G . . . .
C212 C 1.060(2) 0.305(3) 0.5960(18) 0.062(4) Uani 1 1 d G . . . .
H212 H 1.119864 0.293897 0.572635 0.075 Uiso 1 1 calc R U . . .
C213 C 1.086(2) 0.359(3) 0.6793(17) 0.062(4) Uani 1 1 d G . . . .
H213 H 1.164076 0.382389 0.711596 0.075 Uiso 1 1 calc R U . . .
C214 C 0.996(3) 0.376(3) 0.7143(15) 0.062(4) Uani 1 1 d G . . . .
H214 H 1.013511 0.411319 0.769977 0.075 Uiso 1 1 calc R U . . .
C215 C 0.879(2) 0.340(3) 0.6660(18) 0.062(4) Uani 1 1 d G . . . .
H215 H 0.818733 0.351755 0.689397 0.075 Uiso 1 1 calc R U . . .
C216 C 0.853(2) 0.287(3) 0.5827(18) 0.062(4) Uani 1 1 d G . . . .
H216 H 0.774518 0.263262 0.550435 0.075 Uiso 1 1 calc R U . . .
C217 C 1.077(4) 0.130(4) 0.441(3) 0.062(4) Uani 1 1 d . . . . .
H21A H 1.127988 0.141505 0.502112 0.094 Uiso 1 1 calc R U . . .
H21B H 1.103378 0.181720 0.403600 0.094 Uiso 1 1 calc R U . . .
H21C H 1.081772 0.047020 0.424657 0.094 Uiso 1 1 calc R U . . .
C221 C 0.823(3) 0.383(2) 0.0512(15) 0.057(4) Uani 1 1 d G . . . .
C222 C 0.915(2) 0.428(2) 0.0251(16) 0.057(4) Uani 1 1 d G . . . .
H222 H 0.957582 0.495845 0.053029 0.068 Uiso 1 1 calc R U . . .
C223 C 0.942(2) 0.371(3) -0.0426(17) 0.057(4) Uani 1 1 d G . . . .
H223 H 1.003436 0.401352 -0.060072 0.068 Uiso 1 1 calc R U . . .
C224 C 0.878(3) 0.270(2) -0.0843(15) 0.057(4) Uani 1 1 d G . . . .
H224 H 0.896612 0.231709 -0.129646 0.068 Uiso 1 1 calc R U . . .
C225 C 0.787(2) 0.225(2) -0.0582(16) 0.057(4) Uani 1 1 d G . . . .
H225 H 0.743933 0.156558 -0.086121 0.068 Uiso 1 1 calc R U . . .
C226 C 0.759(2) 0.281(3) 0.0095(17) 0.057(4) Uani 1 1 d G . . . .
H226 H 0.698076 0.251050 0.026979 0.068 Uiso 1 1 calc R U . . .
C227 C 0.899(3) 0.600(3) 0.179(3) 0.057(4) Uani 1 1 d D . . . .
H22A H 0.967024 0.571181 0.165709 0.085 Uiso 1 1 calc R U . . .
H22B H 0.924729 0.621269 0.241185 0.085 Uiso 1 1 calc R U . . .
H22C H 0.866150 0.669750 0.143626 0.085 Uiso 1 1 calc R U . . .
O11 O 0.503(2) 0.537(3) 0.189(2) 0.059(8) Uani 1 1 d . . . . .
O12 O 0.600(3) 0.225(3) 0.3958(19) 0.068(10) Uani 1 1 d . . . . .
O21 O 1.079(3) 0.465(3) 0.387(2) 0.064(8) Uani 1 1 d . . . . .
O22 O 0.965(3) 0.152(2) 0.1939(17) 0.049(7) Uani 1 1 d . . . . .
Cl11 Cl 0.2053(8) 0.4780(9) 0.2035(6) 0.043(2) Uani 1 1 d . . . . .
Cl12 Cl 0.2736(9) 0.2360(9) 0.3430(6) 0.047(2) Uani 1 1 d . . . . .
Cl21 Cl 0.6754(9) 0.2053(9) 0.2174(6) 0.048(2) Uani 1 1 d . . . . .
Cl22 Cl 0.7534(9) 0.4600(9) 0.3550(6) 0.047(2) Uani 1 1 d . . . . .
Ru1 Ru 0.3884(3) 0.3686(2) 0.28156(18) 0.0323(6) Uani 1 1 d . . . . .
Ru2 Ru 0.8585(3) 0.3215(3) 0.29085(18) 0.0379(7) Uani 1 1 d . . . . .
Te11 Te 0.4102(2) 0.52481(19) 0.41202(14) 0.0335(5) Uani 1 1 d . . . . .
Te12 Te 0.3556(3) 0.1986(2) 0.15776(15) 0.0456(7) Uani 1 1 d . . . . .
Te21 Te 0.9005(2) 0.1719(2) 0.42659(15) 0.0400(6) Uani 1 1 d . . . . .
Te22 Te 0.7689(2) 0.4632(2) 0.15195(17) 0.0470(7) Uani 1 1 d D . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O11 C11 Ru1 176(3) . . ?
O12 C12 Ru1 170(3) . . ?
O21 C21 Ru2 176(3) . . ?
O22 C22 Ru2 171(3) . . ?
C112 C111 C116 120.0 . . ?
C112 C111 Te11 122.3(11) . . ?
C116 C111 Te11 117.6(11) . . ?
C111 C112 C113 120.0 . . ?
C111 C112 H112 120.0 . . ?
C113 C112 H112 120.0 . . ?
C114 C113 C112 120.0 . . ?
C114 C113 H113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C113 C114 C115 120.0 . . ?
C113 C114 H114 120.0 . . ?
C115 C114 H114 120.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C116 C111 120.0 . . ?
C115 C116 H116 120.0 . . ?
C111 C116 H116 120.0 . . ?
Te11 C117 H11A 109.5 . . ?
Te11 C117 H11B 109.5 . . ?
H11A C117 H11B 109.5 . . ?
Te11 C117 H11C 109.5 . . ?
H11A C117 H11C 109.5 . . ?
H11B C117 H11C 109.5 . . ?
C122 C121 C126 120.0 . . ?
C122 C121 Te12 118.0(13) . . ?
C126 C121 Te12 122.0(13) . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
C122 C123 C124 120.0 . . ?
C122 C123 H123 120.0 . . ?
C124 C123 H123 120.0 . . ?
C125 C124 C123 120.0 . . ?
C125 C124 H124 120.0 . . ?
C123 C124 H124 120.0 . . ?
C124 C125 C126 120.0 . . ?
C124 C125 H125 120.0 . . ?
C126 C125 H125 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
C121 C126 H126 120.0 . . ?
Te12 C127 H12A 109.5 . . ?
Te12 C127 H12B 109.5 . . ?
H12A C127 H12B 109.5 . . ?
Te12 C127 H12C 109.5 . . ?
H12A C127 H12C 109.5 . . ?
H12B C127 H12C 109.5 . . ?
C212 C211 C216 120.0 . . ?
C212 C211 Te21 121.6(15) . . ?
C216 C211 Te21 118.1(15) . . ?
C213 C212 C211 120.0 . . ?
C213 C212 H212 120.0 . . ?
C211 C212 H212 120.0 . . ?
C214 C213 C212 120.0 . . ?
C214 C213 H213 120.0 . . ?
C212 C213 H213 120.0 . . ?
C213 C214 C215 120.0 . . ?
C213 C214 H214 120.0 . . ?
C215 C214 H214 120.0 . . ?
C214 C215 C216 120.0 . . ?
C214 C215 H215 120.0 . . ?
C216 C215 H215 120.0 . . ?
C215 C216 C211 120.0 . . ?
C215 C216 H216 120.0 . . ?
C211 C216 H216 120.0 . . ?
Te21 C217 H21A 109.5 . . ?
Te21 C217 H21B 109.5 . . ?
H21A C217 H21B 109.5 . . ?
Te21 C217 H21C 109.5 . . ?
H21A C217 H21C 109.5 . . ?
H21B C217 H21C 109.5 . . ?
C222 C221 C226 120.0 . . ?
C222 C221 Te22 123.9(15) . . ?
C226 C221 Te22 116.0(15) . . ?
C223 C222 C221 120.0 . . ?
C223 C222 H222 120.0 . . ?
C221 C222 H222 120.0 . . ?
C222 C223 C224 120.0 . . ?
C222 C223 H223 120.0 . . ?
C224 C223 H223 120.0 . . ?
C225 C224 C223 120.0 . . ?
C225 C224 H224 120.0 . . ?
C223 C224 H224 120.0 . . ?
C224 C225 C226 120.0 . . ?
C224 C225 H225 120.0 . . ?
C226 C225 H225 120.0 . . ?
C225 C226 C221 120.0 . . ?
C225 C226 H226 120.0 . . ?
C221 C226 H226 120.0 . . ?
Te22 C227 H22A 109.5 . . ?
Te22 C227 H22B 109.5 . . ?
H22A C227 H22B 109.5 . . ?
Te22 C227 H22C 109.5 . . ?
H22A C227 H22C 109.5 . . ?
H22B C227 H22C 109.5 . . ?
C12 Ru1 C11 96.6(17) . . ?
C12 Ru1 Cl11 176.1(12) . . ?
C11 Ru1 Cl11 86.4(12) . . ?
C12 Ru1 Cl12 88.3(12) . . ?
C11 Ru1 Cl12 174.7(12) . . ?
Cl11 Ru1 Cl12 88.7(3) . . ?
C12 Ru1 Te11 92.9(11) . . ?
C11 Ru1 Te11 92.5(11) . . ?
Cl11 Ru1 Te11 84.5(2) . . ?
Cl12 Ru1 Te11 89.1(3) . . ?
C12 Ru1 Te12 86.8(11) . . ?
C11 Ru1 Te12 92.9(11) . . ?
Cl11 Ru1 Te12 95.6(2) . . ?
Cl12 Ru1 Te12 85.5(3) . . ?
Te11 Ru1 Te12 174.63(14) . . ?
C21 Ru2 C22 94.5(15) . . ?
C21 Ru2 Cl22 88.0(12) . . ?
C22 Ru2 Cl22 177.0(11) . . ?
C21 Ru2 Cl21 178.9(12) . . ?
C22 Ru2 Cl21 85.9(11) . . ?
Cl22 Ru2 Cl21 91.7(3) . . ?
C21 Ru2 Te22 98.1(12) . . ?
C22 Ru2 Te22 95.4(12) . . ?
Cl22 Ru2 Te22 82.4(3) . . ?
Cl21 Ru2 Te22 82.9(3) . . ?
C21 Ru2 Te21 92.0(12) . . ?
C22 Ru2 Te21 90.5(12) . . ?
Cl22 Ru2 Te21 91.2(3) . . ?
Cl21 Ru2 Te21 87.0(3) . . ?
Te22 Ru2 Te21 167.85(16) . . ?
C117 Te11 C111 93.6(12) . . ?
C117 Te11 Ru1 102.8(10) . . ?
C111 Te11 Ru1 103.9(7) . . ?
C121 Te12 C127 94.3(14) . . ?
C121 Te12 Ru1 107.2(8) . . ?
C127 Te12 Ru1 103.8(11) . . ?
C217 Te21 C211 96.0(15) . . ?
C217 Te21 Ru2 97.1(13) . . ?
C211 Te21 Ru2 110.6(9) . . ?
C227 Te22 C221 93.3(14) . . ?
C227 Te22 Ru2 101.6(10) . . ?
C221 Te22 Ru2 104.7(7) . . ?
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
C11 O11 1.13(4) . ?
C11 Ru1 1.87(4) . ?
C12 O12 1.19(5) . ?
C12 Ru1 1.82(4) . ?
C21 O21 1.11(5) . ?
C21 Ru2 1.88(4) . ?
C22 O22 1.08(4) . ?
C22 Ru2 1.91(4) . ?
C111 C112 1.3900 . ?
C111 C116 1.3900 . ?
C111 Te11 2.145(15) . ?
C112 C113 1.3900 . ?
C112 H112 0.9300 . ?
C113 C114 1.3900 . ?
C113 H113 0.9300 . ?
C114 C115 1.3900 . ?
C114 H114 0.9300 . ?
C115 C116 1.3900 . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C117 Te11 2.14(4) . ?
C117 H11A 0.9600 . ?
C117 H11B 0.9600 . ?
C117 H11C 0.9600 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C121 Te12 2.067(16) . ?
C122 C123 1.3900 . ?
C122 H122 0.9300 . ?
C123 C124 1.3900 . ?
C123 H123 0.9300 . ?
C124 C125 1.3900 . ?
C124 H124 0.9300 . ?
C125 C126 1.3900 . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
C127 Te12 2.07(4) . ?
C127 H12A 0.9600 . ?
C127 H12B 0.9600 . ?
C127 H12C 0.9600 . ?
C211 C212 1.3900 . ?
C211 C216 1.3900 . ?
C211 Te21 2.125(19) . ?
C212 C213 1.3900 . ?
C212 H212 0.9300 . ?
C213 C214 1.3900 . ?
C213 H213 0.9300 . ?
C214 C215 1.3900 . ?
C214 H214 0.9300 . ?
C215 C216 1.3900 . ?
C215 H215 0.9300 . ?
C216 H216 0.9300 . ?
C217 Te21 2.09(5) . ?
C217 H21A 0.9600 . ?
C217 H21B 0.9600 . ?
C217 H21C 0.9600 . ?
C221 C222 1.3900 . ?
C221 C226 1.3900 . ?
C221 Te22 2.136(18) . ?
C222 C223 1.3900 . ?
C222 H222 0.9300 . ?
C223 C224 1.3900 . ?
C223 H223 0.9300 . ?
C224 C225 1.3900 . ?
C224 H224 0.9300 . ?
C225 C226 1.3900 . ?
C225 H225 0.9300 . ?
C226 H226 0.9300 . ?
C227 Te22 2.101(14) . ?
C227 H22A 0.9600 . ?
C227 H22B 0.9600 . ?
C227 H22C 0.9600 . ?
Cl11 Ru1 2.423(9) . ?
Cl12 Ru1 2.437(10) . ?
Cl21 Ru2 2.447(10) . ?
Cl22 Ru2 2.424(10) . ?
Ru1 Te11 2.655(3) . ?
Ru1 Te12 2.662(3) . ?
Ru2 Te22 2.624(4) . ?
Ru2 Te21 2.639(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
C116 C111 C112 C113 0.0 . . . . ?
Te11 C111 C112 C113 -176.5(18) . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C112 C113 C114 C115 0.0 . . . . ?
C113 C114 C115 C116 0.0 . . . . ?
C114 C115 C116 C111 0.0 . . . . ?
C112 C111 C116 C115 0.0 . . . . ?
Te11 C111 C116 C115 176.7(17) . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
Te12 C121 C122 C123 -178(2) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C124 C125 C126 C121 0.0 . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
Te12 C121 C126 C125 178(2) . . . . ?
C216 C211 C212 C213 0.0 . . . . ?
Te21 C211 C212 C213 -174(2) . . . . ?
C211 C212 C213 C214 0.0 . . . . ?
C212 C213 C214 C215 0.0 . . . . ?
C213 C214 C215 C216 0.0 . . . . ?
C214 C215 C216 C211 0.0 . . . . ?
C212 C211 C216 C215 0.0 . . . . ?
Te21 C211 C216 C215 174(2) . . . . ?
C226 C221 C222 C223 0.0 . . . . ?
Te22 C221 C222 C223 -178.5(19) . . . . ?
C221 C222 C223 C224 0.0 . . . . ?
C222 C223 C224 C225 0.0 . . . . ?
C223 C224 C225 C226 0.0 . . . . ?
C224 C225 C226 C221 0.0 . . . . ?
C222 C221 C226 C225 0.0 . . . . ?
Te22 C221 C226 C225 178.6(17) . . . . ?
