#------------------------------------------------------------------------------
#$Date: 2021-03-05 04:08:59 +0200 (Fri, 05 Mar 2021) $
#$Revision: 262658 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/64/7706468.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_7706468
loop_
_publ_author_name
'Grass, Amanda'
'Kulathungage, Lakshani Wathsala'
'Wannipurage, Duleeka'
'Yousif, Maryam'
'Ward, Cassandra L.'
'Groysman, Stanislav'
_publ_section_title
;
 Synthesis, characterization, and alkoxide transfer reactivity of dimeric
 Tl₂(OR)₂ complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2501
_journal_page_last               2509
_journal_paper_doi               10.1039/d0dt03917a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C25 H36 O Ru'
_chemical_formula_sum            'C25 H36 O Ru'
_chemical_formula_weight         453.61
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-12-10
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2020-12-23 deposited with the CCDC.	2021-01-19 downloaded from the CCDC.
;
_cell_angle_alpha                91.329(4)
_cell_angle_beta                 102.082(4)
_cell_angle_gamma                112.349(4)
_cell_formula_units_Z            2
_cell_length_a                   9.3633(8)
_cell_length_b                   11.1104(9)
_cell_length_c                   11.4477(9)
_cell_measurement_reflns_used    4884
_cell_measurement_temperature    100.1
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      1.83
_cell_volume                     1070.07(16)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.1
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            37446
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.368
_diffrn_reflns_theta_min         1.831
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  0.9637
_exptl_absorpt_correction_T_min  0.8358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_description       plate
_exptl_crystal_F_000             476
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.148
_refine_diff_density_min         -1.137
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.146
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4299
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0091P)²+2.2331P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0623
_refine_ls_wR_factor_ref         0.0632
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4088
_reflns_number_total             4299
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03917a2.cif
_cod_data_source_block           sg766_0m
_cod_depositor_comments
'Adding full bibliography for 7706467--7706474.cif.'
_cod_original_cell_volume        1070.07(15)
_cod_database_code               7706468
_shelx_shelxl_version_number     2018/3
_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_max   0.964
_shelx_estimated_absorpt_t_min   0.836
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C7(H7)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C4(H4), C6(H6), C22(H22), C23(H23), C24(H24), C25(H25)
2.c Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C15(H15A,H15B,H15C),
 C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.22464(2) 0.15604(2) 0.37491(2) 0.01271(6) Uani 1 1 d . . . . .
O1 O 0.02231(19) 0.17068(16) 0.32352(14) 0.0124(3) Uani 1 1 d . . . . .
C1 C 0.1883(3) -0.0061(3) 0.4952(2) 0.0190(5) Uani 1 1 d . . . . .
H1 H 0.097273 -0.077931 0.505036 0.023 Uiso 1 1 calc R U . . .
C2 C 0.2687(3) -0.0201(3) 0.4051(2) 0.0187(5) Uani 1 1 d . . . . .
C3 C 0.4139(3) 0.0831(3) 0.4018(2) 0.0193(5) Uani 1 1 d . . . . .
H3 H 0.475729 0.071533 0.349828 0.023 Uiso 1 1 calc R U . . .
C4 C 0.4672(3) 0.2016(3) 0.4740(2) 0.0197(5) Uani 1 1 d . . . . .
H4 H 0.564483 0.270204 0.470253 0.024 Uiso 1 1 calc R U . . .
C5 C 0.3771(3) 0.2210(3) 0.5536(2) 0.0197(5) Uani 1 1 d . . . . .
C6 C 0.2418(3) 0.1101(3) 0.5671(2) 0.0189(5) Uani 1 1 d . . . . .
H6 H 0.188058 0.117068 0.627094 0.023 Uiso 1 1 calc R U . . .
C7 C 0.4333(3) 0.3485(3) 0.6316(2) 0.0257(6) Uani 1 1 d . . . . .
H7 H 0.514579 0.416898 0.598115 0.031 Uiso 1 1 calc R U . . .
C8 C 0.5141(4) 0.3327(3) 0.7584(3) 0.0310(7) Uani 1 1 d . . . . .
H8A H 0.435336 0.268333 0.794084 0.047 Uiso 1 1 calc R U . . .
H8B H 0.559825 0.417170 0.808620 0.047 Uiso 1 1 calc R U . . .
H8C H 0.598544 0.302601 0.753388 0.047 Uiso 1 1 calc R U . . .
C9 C 0.3022(4) 0.3948(4) 0.6380(3) 0.0399(8) Uani 1 1 d . . . . .
H9A H 0.245825 0.397794 0.556444 0.060 Uiso 1 1 calc R U . . .
H9B H 0.348305 0.482430 0.682589 0.060 Uiso 1 1 calc R U . . .
H9C H 0.227490 0.333984 0.679186 0.060 Uiso 1 1 calc R U . . .
C10 C 0.2041(4) -0.1450(3) 0.3228(2) 0.0278(6) Uani 1 1 d . . . . .
H10A H 0.251877 -0.130080 0.253249 0.042 Uiso 1 1 calc R U . . .
H10B H 0.088534 -0.174578 0.295384 0.042 Uiso 1 1 calc R U . . .
H10C H 0.229680 -0.212126 0.365940 0.042 Uiso 1 1 calc R U . . .
C11 C 0.2582(3) 0.2417(2) 0.2229(2) 0.0127(5) Uani 1 1 d . . . . .
C12 C 0.1277(3) 0.2666(2) 0.1596(2) 0.0130(5) Uani 1 1 d . . . . .
C13 C -0.0165(3) 0.2236(2) 0.2145(2) 0.0136(5) Uani 1 1 d . . . . .
C14 C -0.1606(3) 0.1036(3) 0.1297(2) 0.0172(5) Uani 1 1 d . . . . .
C15 C -0.3130(3) 0.0586(3) 0.1762(2) 0.0232(6) Uani 1 1 d . . . . .
H15A H -0.359398 0.124316 0.165116 0.035 Uiso 1 1 calc R U . . .
H15B H -0.287506 0.048111 0.261847 0.035 Uiso 1 1 calc R U . . .
H15C H -0.389224 -0.025253 0.131337 0.035 Uiso 1 1 calc R U . . .
C16 C -0.2051(3) 0.1265(3) -0.0028(2) 0.0255(6) Uani 1 1 d . . . . .
H16A H -0.115871 0.138426 -0.039728 0.038 Uiso 1 1 calc R U . . .
H16B H -0.229051 0.205019 -0.006955 0.038 Uiso 1 1 calc R U . . .
H16C H -0.298613 0.050569 -0.045970 0.038 Uiso 1 1 calc R U . . .
C17 C -0.1112(3) -0.0134(3) 0.1270(2) 0.0211(5) Uani 1 1 d . . . . .
H17A H -0.191537 -0.084156 0.067349 0.032 Uiso 1 1 calc R U . . .
H17B H -0.102210 -0.044491 0.206512 0.032 Uiso 1 1 calc R U . . .
H17C H -0.008472 0.014018 0.105335 0.032 Uiso 1 1 calc R U . . .
C18 C -0.0495(3) 0.3471(3) 0.2565(2) 0.0188(5) Uani 1 1 d . . . . .
C19 C -0.1470(4) 0.3945(3) 0.1575(3) 0.0315(7) Uani 1 1 d . . . . .
H19A H -0.155093 0.473466 0.189935 0.047 Uiso 1 1 calc R U . . .
H19B H -0.253617 0.325743 0.128661 0.047 Uiso 1 1 calc R U . . .
H19C H -0.094368 0.414698 0.090609 0.047 Uiso 1 1 calc R U . . .
C20 C 0.1104(3) 0.4624(3) 0.3058(3) 0.0272(6) Uani 1 1 d . . . . .
H20A H 0.093683 0.530587 0.349976 0.041 Uiso 1 1 calc R U . . .
H20B H 0.157408 0.498214 0.238925 0.041 Uiso 1 1 calc R U . . .
H20C H 0.182312 0.431929 0.360020 0.041 Uiso 1 1 calc R U . . .
C21 C -0.1340(3) 0.3205(3) 0.3609(2) 0.0231(6) Uani 1 1 d . . . . .
H21A H -0.068607 0.299099 0.429089 0.035 Uiso 1 1 calc R U . . .
H21B H -0.237253 0.246830 0.334491 0.035 Uiso 1 1 calc R U . . .
H21C H -0.149922 0.398695 0.385426 0.035 Uiso 1 1 calc R U . . .
C22 C 0.1392(3) 0.3287(2) 0.0546(2) 0.0153(5) Uani 1 1 d . . . . .
H22 H 0.052936 0.348281 0.013280 0.018 Uiso 1 1 calc R U . . .
C23 C 0.2743(3) 0.3619(2) 0.0104(2) 0.0158(5) Uani 1 1 d . . . . .
H23 H 0.279529 0.402812 -0.061460 0.019 Uiso 1 1 calc R U . . .
C24 C 0.4019(3) 0.3356(2) 0.0704(2) 0.0155(5) Uani 1 1 d . . . . .
H24 H 0.494236 0.357575 0.039696 0.019 Uiso 1 1 calc R U . . .
C25 C 0.3938(3) 0.2772(2) 0.1756(2) 0.0143(5) Uani 1 1 d . . . . .
H25 H 0.482380 0.260584 0.216979 0.017 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
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 Ru1 C1 106.78(8) . . ?
O1 Ru1 C2 127.97(9) . . ?
O1 Ru1 C3 163.04(9) . . ?
O1 Ru1 C4 159.43(9) . . ?
O1 Ru1 C5 124.57(8) . . ?
O1 Ru1 C6 105.73(8) . . ?
O1 Ru1 C11 80.94(8) . . ?
C2 Ru1 C1 37.76(9) . . ?
C2 Ru1 C3 37.95(10) . . ?
C2 Ru1 C4 68.41(10) . . ?
C2 Ru1 C6 66.80(9) . . ?
C3 Ru1 C1 66.85(9) . . ?
C3 Ru1 C6 78.44(9) . . ?
C4 Ru1 C1 78.77(9) . . ?
C4 Ru1 C3 37.32(10) . . ?
C4 Ru1 C6 67.00(9) . . ?
C5 Ru1 C1 67.11(10) . . ?
C5 Ru1 C2 82.16(10) . . ?
C5 Ru1 C3 68.75(10) . . ?
C5 Ru1 C4 38.48(9) . . ?
C5 Ru1 C6 37.75(10) . . ?
C6 Ru1 C1 35.37(10) . . ?
C11 Ru1 C1 156.39(9) . . ?
C11 Ru1 C2 120.15(9) . . ?
C11 Ru1 C3 99.21(9) . . ?
C11 Ru1 C4 101.96(9) . . ?
C11 Ru1 C5 127.35(10) . . ?
C11 Ru1 C6 164.83(10) . . ?
C13 O1 Ru1 121.37(13) . . ?
Ru1 C1 H1 133.6 . . ?
C2 C1 Ru1 67.72(14) . . ?
C2 C1 H1 119.7 . . ?
C6 C1 Ru1 72.25(15) . . ?
C6 C1 H1 119.7 . . ?
C6 C1 C2 120.5(2) . . ?
C1 C2 Ru1 74.51(14) . . ?
C1 C2 C10 120.0(2) . . ?
C3 C2 Ru1 71.57(15) . . ?
C3 C2 C1 118.3(2) . . ?
C3 C2 C10 121.6(2) . . ?
C10 C2 Ru1 128.05(17) . . ?
Ru1 C3 H3 131.9 . . ?
C2 C3 Ru1 70.48(14) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 Ru1 70.93(14) . . ?
C4 C3 C2 120.7(2) . . ?
C4 C3 H3 119.7 . . ?
Ru1 C4 H4 131.1 . . ?
C3 C4 Ru1 71.75(14) . . ?
C3 C4 H4 119.6 . . ?
C3 C4 C5 120.7(2) . . ?
C5 C4 Ru1 70.29(14) . . ?
C5 C4 H4 119.6 . . ?
C4 C5 Ru1 71.22(14) . . ?
C4 C5 C6 117.6(2) . . ?
C4 C5 C7 121.1(2) . . ?
C6 C5 Ru1 74.78(14) . . ?
C6 C5 C7 120.9(2) . . ?
C7 C5 Ru1 130.61(18) . . ?
Ru1 C6 H6 134.4 . . ?
C1 C6 Ru1 72.39(14) . . ?
C1 C6 C5 121.3(2) . . ?
C1 C6 H6 119.3 . . ?
C5 C6 Ru1 67.46(13) . . ?
C5 C6 H6 119.3 . . ?
C5 C7 H7 108.2 . . ?
C5 C7 C8 108.4(2) . . ?
C5 C7 C9 113.7(2) . . ?
C8 C7 H7 108.2 . . ?
C9 C7 H7 108.2 . . ?
C9 C7 C8 110.0(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C2 C10 H10A 109.5 . . ?
C2 C10 H10B 109.5 . . ?
C2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 Ru1 114.38(16) . . ?
C25 C11 Ru1 127.53(17) . . ?
C25 C11 C12 118.1(2) . . ?
C11 C12 C13 115.47(19) . . ?
C22 C12 C11 119.3(2) . . ?
C22 C12 C13 125.2(2) . . ?
O1 C13 C12 107.79(18) . . ?
O1 C13 C14 104.77(19) . . ?
O1 C13 C18 104.31(18) . . ?
C12 C13 C14 109.90(19) . . ?
C12 C13 C18 111.0(2) . . ?
C18 C13 C14 118.27(19) . . ?
C15 C14 C13 113.0(2) . . ?
C15 C14 C16 107.5(2) . . ?
C15 C14 C17 107.0(2) . . ?
C16 C14 C13 115.4(2) . . ?
C17 C14 C13 108.02(19) . . ?
C17 C14 C16 105.4(2) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 C13 115.2(2) . . ?
C19 C18 C21 107.5(2) . . ?
C20 C18 C13 108.75(19) . . ?
C20 C18 C19 107.2(2) . . ?
C20 C18 C21 105.9(2) . . ?
C21 C18 C13 111.8(2) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C12 C22 H22 119.5 . . ?
C23 C22 C12 121.0(2) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 119.9 . . ?
C24 C23 C22 120.2(2) . . ?
C24 C23 H23 119.9 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.5(2) . . ?
C25 C24 H24 120.3 . . ?
C11 C25 H25 119.1 . . ?
C24 C25 C11 121.9(2) . . ?
C24 C25 H25 119.1 . . ?
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 O1 1.9323(15) . ?
Ru1 C1 2.259(2) . ?
Ru1 C2 2.169(2) . ?
Ru1 C3 2.183(2) . ?
Ru1 C4 2.173(2) . ?
Ru1 C5 2.161(2) . ?
Ru1 C6 2.257(2) . ?
Ru1 C11 2.027(2) . ?
O1 C13 1.429(3) . ?
C1 H1 0.9500 . ?
C1 C2 1.436(3) . ?
C1 C6 1.372(4) . ?
C2 C3 1.415(4) . ?
C2 C10 1.497(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.394(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.428(3) . ?
C5 C6 1.432(4) . ?
C5 C7 1.503(4) . ?
C6 H6 0.9500 . ?
C7 H7 1.0000 . ?
C7 C8 1.537(4) . ?
C7 C9 1.514(4) . ?
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 C12 1.411(3) . ?
C11 C25 1.407(3) . ?
C12 C13 1.525(3) . ?
C12 C22 1.402(3) . ?
C13 C14 1.601(3) . ?
C13 C18 1.601(3) . ?
C14 C15 1.535(3) . ?
C14 C16 1.540(3) . ?
C14 C17 1.538(4) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
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 C19 1.536(3) . ?
C18 C20 1.534(4) . ?
C18 C21 1.541(3) . ?
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 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22 0.9500 . ?
C22 C23 1.384(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.383(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.383(3) . ?
C25 H25 0.9500 . ?
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 O1 C13 C12 -2.6(3) . . . . ?
Ru1 O1 C13 C14 114.44(16) . . . . ?
Ru1 O1 C13 C18 -120.61(16) . . . . ?
Ru1 C1 C2 C3 58.54(19) . . . . ?
Ru1 C1 C2 C10 -125.3(2) . . . . ?
Ru1 C1 C6 C5 -48.4(2) . . . . ?
Ru1 C2 C3 C4 52.2(2) . . . . ?
Ru1 C3 C4 C5 52.5(2) . . . . ?
Ru1 C4 C5 C6 60.64(19) . . . . ?
Ru1 C4 C5 C7 -126.7(2) . . . . ?
Ru1 C5 C6 C1 50.5(2) . . . . ?
Ru1 C5 C7 C8 169.7(2) . . . . ?
Ru1 C5 C7 C9 47.0(4) . . . . ?
Ru1 C11 C12 C13 -0.8(3) . . . . ?
Ru1 C11 C12 C22 178.39(19) . . . . ?
Ru1 C11 C25 C24 -179.89(19) . . . . ?
O1 C13 C14 C15 67.0(2) . . . . ?
O1 C13 C14 C16 -168.7(2) . . . . ?
O1 C13 C14 C17 -51.1(2) . . . . ?
O1 C13 C18 C19 -160.1(2) . . . . ?
O1 C13 C18 C20 79.6(2) . . . . ?
O1 C13 C18 C21 -37.0(3) . . . . ?
C1 C2 C3 Ru1 -60.05(19) . . . . ?
C1 C2 C3 C4 -7.9(3) . . . . ?
C2 C1 C6 Ru1 49.4(2) . . . . ?
C2 C1 C6 C5 1.0(4) . . . . ?
C2 C3 C4 Ru1 -52.0(2) . . . . ?
C2 C3 C4 C5 0.5(4) . . . . ?
C3 C4 C5 Ru1 -53.2(2) . . . . ?
C3 C4 C5 C6 7.5(3) . . . . ?
C3 C4 C5 C7 -179.9(2) . . . . ?
C4 C5 C6 Ru1 -58.78(19) . . . . ?
C4 C5 C6 C1 -8.3(3) . . . . ?
C4 C5 C7 C8 -99.0(3) . . . . ?
C4 C5 C7 C9 138.3(3) . . . . ?
C6 C1 C2 Ru1 -51.4(2) . . . . ?
C6 C1 C2 C3 7.1(3) . . . . ?
C6 C1 C2 C10 -176.7(2) . . . . ?
C6 C5 C7 C8 73.4(3) . . . . ?
C6 C5 C7 C9 -49.3(3) . . . . ?
C7 C5 C6 Ru1 128.6(2) . . . . ?
C7 C5 C6 C1 179.1(2) . . . . ?
C10 C2 C3 Ru1 123.9(2) . . . . ?
C10 C2 C3 C4 176.1(2) . . . . ?
C11 C12 C13 O1 2.0(3) . . . . ?
C11 C12 C13 C14 -111.6(2) . . . . ?
C11 C12 C13 C18 115.7(2) . . . . ?
C11 C12 C22 C23 2.1(4) . . . . ?
C12 C11 C25 C24 0.4(4) . . . . ?
C12 C13 C14 C15 -177.4(2) . . . . ?
C12 C13 C14 C16 -53.2(3) . . . . ?
C12 C13 C14 C17 64.4(2) . . . . ?
C12 C13 C18 C19 84.1(3) . . . . ?
C12 C13 C18 C20 -36.2(3) . . . . ?
C12 C13 C18 C21 -152.8(2) . . . . ?
C12 C22 C23 C24 -0.9(4) . . . . ?
C13 C12 C22 C23 -178.8(2) . . . . ?
C14 C13 C18 C19 -44.3(3) . . . . ?
C14 C13 C18 C20 -164.6(2) . . . . ?
C14 C13 C18 C21 78.9(3) . . . . ?
C18 C13 C14 C15 -48.6(3) . . . . ?
C18 C13 C14 C16 75.7(3) . . . . ?
C18 C13 C14 C17 -166.72(19) . . . . ?
C22 C12 C13 O1 -177.1(2) . . . . ?
C22 C12 C13 C14 69.3(3) . . . . ?
C22 C12 C13 C18 -63.5(3) . . . . ?
C22 C23 C24 C25 -0.6(4) . . . . ?
C23 C24 C25 C11 0.9(4) . . . . ?
C25 C11 C12 C13 179.0(2) . . . . ?
C25 C11 C12 C22 -1.8(3) . . . . ?
