#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:43:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179933 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/28/7022801.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_7022801
loop_
_publ_author_name
'Lastra-Barreira, Beatriz'
'Díez, Josefina'
'Crochet, Pascale'
'Fernández, Israel'
_publ_section_title
;
 Functionalized arene-ruthenium(II) complexes: dangling vs. tethering side
 chain.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5412
_journal_page_last               5420
_journal_paper_doi               10.1039/c3dt33051f
_journal_volume                  42
_journal_year                    2013
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C52 H50 Cl2 O10 P2 Ru2, 2(F6 Sb)'
_chemical_formula_sum            'C52 H50 Cl2 F12 O10 P2 Ru2 Sb2'
_chemical_formula_weight         1641.40
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.775(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.9387(3)
_cell_length_b                   11.8480(4)
_cell_length_c                   24.2871(7)
_cell_measurement_reflns_used    4911
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.350
_cell_measurement_theta_min      0.407
_cell_volume                     2856.54(15)
_computing_cell_refinement       'HKL Scalepack (Otwinowki & Minor 1997)'
_computing_data_collection       'Collect (Bruker, 2004)'
_computing_data_reduction
'HKL Denzo and scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2007)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altomare, 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       '95 mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'φ and ω scan'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18346
_diffrn_reflns_theta_full        25.36
_diffrn_reflns_theta_max         25.36
_diffrn_reflns_theta_min         1.91
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.699
_exptl_absorpt_correction_T_max  0.890
_exptl_absorpt_correction_T_min  0.734
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1608
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.695
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5227
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0721
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0865P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1234
_refine_ls_wR_factor_ref         0.1459
_reflns_number_gt                3718
_reflns_number_total             5227
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3dt33051f.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7022801
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.2930(6) 0.1538(6) 0.4248(2) 0.0356(15) Uani 1 1 d .
H1 H 0.2869 0.2267 0.4096 0.043 Uiso 1 1 calc R
C2 C 0.2853(6) 0.0569(6) 0.3904(2) 0.0342(15) Uani 1 1 d .
H2 H 0.2714 0.0665 0.3522 0.041 Uiso 1 1 calc R
C3 C 0.2978(6) -0.0524(5) 0.4117(2) 0.0319(14) Uani 1 1 d .
H3 H 0.2854 -0.1155 0.3886 0.038 Uiso 1 1 calc R
C4 C 0.3300(6) -0.0665(5) 0.4698(3) 0.0332(14) Uani 1 1 d .
C5 C 0.3296(5) 0.0294(6) 0.5050(2) 0.0335(14) Uani 1 1 d .
H5 H 0.3423 0.0207 0.5434 0.040 Uiso 1 1 calc R
C6 C 0.3097(6) 0.1386(5) 0.4816(3) 0.0331(14) Uani 1 1 d .
H6 H 0.3078 0.2018 0.5050 0.040 Uiso 1 1 calc R
C7 C 0.3370(8) -0.2681(6) 0.4616(3) 0.0520(19) Uani 1 1 d .
H7A H 0.4042 -0.2691 0.4334 0.062 Uiso 1 1 calc R
H7B H 0.2471 -0.2729 0.4433 0.062 Uiso 1 1 calc R
C8 C 0.3597(9) -0.3653(7) 0.5010(4) 0.063(2) Uani 1 1 d .
H8A H 0.3755 -0.4352 0.4808 0.075 Uiso 1 1 calc R
H8B H 0.4379 -0.3507 0.5261 0.075 Uiso 1 1 calc R
C9 C 0.0436(6) 0.2941(6) 0.3680(3) 0.0423(16) Uani 1 1 d .
C10 C 0.1184(7) 0.3014(7) 0.3219(3) 0.0501(18) Uani 1 1 d .
H10 H 0.1048 0.2508 0.2923 0.060 Uiso 1 1 calc R
C11 C 0.2147(8) 0.3866(8) 0.3205(4) 0.062(2) Uani 1 1 d .
H11 H 0.2677 0.3948 0.2898 0.074 Uiso 1 1 calc R
C12 C 0.2315(10) 0.4597(7) 0.3655(5) 0.076(3) Uani 1 1 d .
H12 H 0.2985 0.5157 0.3652 0.091 Uiso 1 1 calc R
C13 C 0.1530(10) 0.4517(8) 0.4098(5) 0.086(3) Uani 1 1 d .
H13 H 0.1645 0.5034 0.4390 0.103 Uiso 1 1 calc R
C14 C 0.0580(8) 0.3691(7) 0.4120(4) 0.063(2) Uani 1 1 d .
H14 H 0.0035 0.3629 0.4424 0.076 Uiso 1 1 calc R
C15 C 0.0538(6) -0.0650(6) 0.3089(2) 0.0356(15) Uani 1 1 d .
C16 C 0.0172(7) -0.1625(6) 0.3340(2) 0.0404(16) Uani 1 1 d .
H16 H -0.0473 -0.1615 0.3611 0.048 Uiso 1 1 calc R
C17 C 0.0769(8) -0.2640(7) 0.3189(3) 0.0511(18) Uani 1 1 d .
H17 H 0.0537 -0.3320 0.3359 0.061 Uiso 1 1 calc R
C18 C 0.1718(8) -0.2633(7) 0.2780(3) 0.057(2) Uani 1 1 d .
H18 H 0.2141 -0.3307 0.2679 0.068 Uiso 1 1 calc R
C19 C 0.2025(8) -0.1640(8) 0.2530(3) 0.056(2) Uani 1 1 d .
H19 H 0.2653 -0.1642 0.2253 0.067 Uiso 1 1 calc R
C20 C 0.1445(7) -0.0645(7) 0.2672(3) 0.0454(17) Uani 1 1 d .
H20 H 0.1654 0.0029 0.2491 0.054 Uiso 1 1 calc R
C21 C -0.2895(6) 0.0746(6) 0.3601(2) 0.0390(16) Uani 1 1 d .
C22 C -0.3386(7) -0.0024(8) 0.3211(3) 0.053(2) Uani 1 1 d .
H22 H -0.2984 -0.0735 0.3170 0.064 Uiso 1 1 calc R
C23 C -0.4508(9) 0.0310(10) 0.2881(3) 0.074(3) Uani 1 1 d .
H23 H -0.4876 -0.0179 0.2609 0.089 Uiso 1 1 calc R
C24 C -0.5072(8) 0.1357(10) 0.2956(4) 0.072(3) Uani 1 1 d .
H24 H -0.5819 0.1578 0.2729 0.087 Uiso 1 1 calc R
C25 C -0.4573(8) 0.2082(8) 0.3352(3) 0.062(2) Uani 1 1 d .
H25 H -0.4986 0.2786 0.3402 0.074 Uiso 1 1 calc R
C26 C -0.3454(7) 0.1776(7) 0.3680(3) 0.0503(19) Uani 1 1 d .
H26 H -0.3090 0.2269 0.3952 0.060 Uiso 1 1 calc R
O1 O 0.3495(4) -0.1656(4) 0.49419(18) 0.0427(11) Uani 1 1 d .
O2 O 0.2408(7) -0.3744(5) 0.5309(3) 0.0769(19) Uani 1 1 d .
H2A H 0.2494 -0.4269 0.5535 0.115 Uiso 1 1 calc R
O3 O -0.0564(4) 0.2096(4) 0.37209(18) 0.0405(11) Uani 1 1 d .
O4 O -0.0002(4) 0.0411(4) 0.32248(16) 0.0372(10) Uani 1 1 d .
O5 O -0.1760(4) 0.0405(4) 0.39464(16) 0.0344(10) Uani 1 1 d .
F1 F -0.2999(9) 0.7779(5) 0.3985(2) 0.124(3) Uani 1 1 d .
F2 F -0.2608(5) 0.6843(4) 0.30260(16) 0.0660(13) Uani 1 1 d .
F3 F -0.3894(6) 0.5923(5) 0.4378(2) 0.0894(18) Uani 1 1 d .
F4 F -0.4993(6) 0.6777(8) 0.3466(2) 0.122(3) Uani 1 1 d .
F5 F -0.1605(8) 0.5872(11) 0.3930(3) 0.194(5) Uani 1 1 d .
F6 F -0.3641(13) 0.4977(6) 0.3386(4) 0.196(5) Uani 1 1 d .
P1 P -0.02742(15) 0.07999(14) 0.38383(6) 0.0280(3) Uani 1 1 d .
Cl1 Cl -0.00794(14) 0.12640(12) 0.51786(5) 0.0281(3) Uani 1 1 d .
Ru1 Ru 0.13251(4) 0.03709(4) 0.451299(17) 0.02499(16) Uani 1 1 d .
Sb1 Sb -0.32710(6) 0.63777(5) 0.36944(2) 0.0531(2) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Sb Sb -0.5866 1.5461 '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_3
C6 C1 C2 118.6(6) .
C6 C1 Ru1 71.7(3) .
C2 C1 Ru1 69.5(3) .
C6 C1 H1 120.7 .
C2 C1 H1 120.7 .
Ru1 C1 H1 130.5 .
C3 C2 C1 122.0(6) .
C3 C2 Ru1 72.7(3) .
C1 C2 Ru1 73.0(3) .
C3 C2 H2 119.0 .
C1 C2 H2 119.0 .
Ru1 C2 H2 127.5 .
C2 C3 C4 118.7(6) .
C2 C3 Ru1 70.3(3) .
C4 C3 Ru1 76.4(3) .
C2 C3 H3 120.6 .
C4 C3 H3 120.6 .
Ru1 C3 H3 124.2 .
O1 C4 C5 116.3(6) .
O1 C4 C3 124.1(6) .
C5 C4 C3 119.4(6) .
O1 C4 Ru1 130.8(4) .
C5 C4 Ru1 70.7(3) .
C3 C4 Ru1 66.9(3) .
C6 C5 C4 119.3(5) .
C6 C5 Ru1 68.9(3) .
C4 C5 Ru1 73.6(3) .
C6 C5 H5 120.4 .
C4 C5 H5 120.4 .
Ru1 C5 H5 129.5 .
C1 C6 C5 121.4(6) .
C1 C6 Ru1 71.8(3) .
C5 C6 Ru1 74.6(3) .
C1 C6 H6 119.3 .
C5 C6 H6 119.3 .
Ru1 C6 H6 126.2 .
O1 C7 C8 106.6(6) .
O1 C7 H7A 110.4 .
C8 C7 H7A 110.4 .
O1 C7 H7B 110.4 .
C8 C7 H7B 110.4 .
H7A C7 H7B 108.6 .
O2 C8 C7 106.3(6) .
O2 C8 H8A 110.5 .
C7 C8 H8A 110.5 .
O2 C8 H8B 110.5 .
C7 C8 H8B 110.5 .
H8A C8 H8B 108.7 .
C10 C9 C14 123.0(7) .
C10 C9 O3 120.6(7) .
C14 C9 O3 116.4(6) .
C9 C10 C11 117.6(8) .
C9 C10 H10 121.2 .
C11 C10 H10 121.2 .
C10 C11 C12 119.1(8) .
C10 C11 H11 120.4 .
C12 C11 H11 120.4 .
C13 C12 C11 121.5(9) .
C13 C12 H12 119.3 .
C11 C12 H12 119.3 .
C12 C13 C14 120.3(10) .
C12 C13 H13 119.8 .
C14 C13 H13 119.8 .
C13 C14 C9 118.3(8) .
C13 C14 H14 120.8 .
C9 C14 H14 120.8 .
C16 C15 C20 121.8(6) .
C16 C15 O4 122.5(5) .
C20 C15 O4 115.7(6) .
C15 C16 C17 119.0(6) .
C15 C16 H16 120.5 .
C17 C16 H16 120.5 .
C16 C17 C18 119.4(7) .
C16 C17 H17 120.3 .
C18 C17 H17 120.3 .
C19 C18 C17 119.5(7) .
C19 C18 H18 120.3 .
C17 C18 H18 120.3 .
C20 C19 C18 121.7(7) .
C20 C19 H19 119.1 .
C18 C19 H19 119.1 .
C19 C20 C15 118.6(7) .
C19 C20 H20 120.7 .
C15 C20 H20 120.7 .
C26 C21 C22 123.7(7) .
C26 C21 O5 119.1(6) .
C22 C21 O5 117.2(6) .
C21 C22 C23 116.7(9) .
C21 C22 H22 121.6 .
C23 C22 H22 121.6 .
C24 C23 C22 119.8(9) .
C24 C23 H23 120.1 .
C22 C23 H23 120.1 .
C25 C24 C23 121.6(8) .
C25 C24 H24 119.2 .
C23 C24 H24 119.2 .
C24 C25 C26 119.7(9) .
C24 C25 H25 120.2 .
C26 C25 H25 120.2 .
C21 C26 C25 118.4(8) .
C21 C26 H26 120.8 .
C25 C26 H26 120.8 .
C4 O1 C7 119.3(5) .
C8 O2 H2A 109.5 .
C9 O3 P1 125.0(4) .
C15 O4 P1 123.9(4) .
C21 O5 P1 122.3(4) .
O5 P1 O3 98.8(2) .
O5 P1 O4 105.7(2) .
O3 P1 O4 98.6(2) .
O5 P1 Ru1 115.95(16) .
O3 P1 Ru1 117.30(18) .
O4 P1 Ru1 117.52(17) .
Ru1 Cl1 Ru1 100.09(5) 3_556
C2 Ru1 C3 37.1(2) .
C2 Ru1 C6 66.5(2) .
C3 Ru1 C6 79.1(2) .
C2 Ru1 C1 37.5(2) .
C3 Ru1 C1 67.4(2) .
C6 Ru1 C1 36.4(2) .
C2 Ru1 P1 88.45(17) .
C3 Ru1 P1 107.47(16) .
C6 Ru1 P1 128.94(17) .
C1 Ru1 P1 97.91(16) .
C2 Ru1 C5 77.7(2) .
C3 Ru1 C5 66.3(2) .
C6 Ru1 C5 36.6(2) .
C1 Ru1 C5 65.6(2) .
P1 Ru1 C5 163.50(16) .
C2 Ru1 C4 65.2(2) .
C3 Ru1 C4 36.8(2) .
C6 Ru1 C4 65.0(2) .
C1 Ru1 C4 77.0(2) .
P1 Ru1 C4 143.35(17) .
C5 Ru1 C4 35.7(2) .
C2 Ru1 Cl1 147.68(18) .
C3 Ru1 Cl1 163.79(17) .
C6 Ru1 Cl1 90.88(16) .
C1 Ru1 Cl1 111.36(17) .
P1 Ru1 Cl1 88.75(5) .
C5 Ru1 Cl1 98.07(15) .
C4 Ru1 Cl1 127.21(16) .
C2 Ru1 Cl1 132.39(17) 3_556
C3 Ru1 Cl1 98.72(16) 3_556
C6 Ru1 Cl1 137.12(16) 3_556
C1 Ru1 Cl1 164.42(17) 3_556
P1 Ru1 Cl1 92.93(5) 3_556
C5 Ru1 Cl1 103.02(16) 3_556
C4 Ru1 Cl1 87.61(15) 3_556
Cl1 Ru1 Cl1 79.91(5) 3_556
F1 Sb1 F5 93.6(5) .
F1 Sb1 F4 90.1(4) .
F5 Sb1 F4 175.7(5) .
F1 Sb1 F6 176.9(5) .
F5 Sb1 F6 89.6(6) .
F4 Sb1 F6 86.8(5) .
F1 Sb1 F2 90.9(2) .
F5 Sb1 F2 91.0(3) .
F4 Sb1 F2 91.4(2) .
F6 Sb1 F2 89.1(3) .
F1 Sb1 F3 88.2(3) .
F5 Sb1 F3 87.8(3) .
F4 Sb1 F3 89.9(3) .
F6 Sb1 F3 91.9(3) .
F2 Sb1 F3 178.4(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.394(8) .
C1 C2 1.420(9) .
C1 Ru1 2.229(6) .
C1 H1 0.9400 .
C2 C3 1.397(9) .
C2 Ru1 2.183(5) .
C2 H2 0.9400 .
C3 C4 1.440(8) .
C3 Ru1 2.214(5) .
C3 H3 0.9400 .
C4 O1 1.327(7) .
C4 C5 1.423(9) .
C4 Ru1 2.340(6) .
C5 C6 1.423(9) .
C5 Ru1 2.302(6) .
C5 H5 0.9400 .
C6 Ru1 2.228(6) .
C6 H6 0.9400 .
C7 O1 1.451(8) .
C7 C8 1.508(10) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C8 O2 1.421(9) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C9 C10 1.378(9) .
C9 C14 1.391(11) .
C9 O3 1.417(8) .
C10 C11 1.392(11) .
C10 H10 0.9400 .
C11 C12 1.399(13) .
C11 H11 0.9400 .
C12 C13 1.362(13) .
C12 H12 0.9400 .
C13 C14 1.363(12) .
C13 H13 0.9400 .
C14 H14 0.9400 .
C15 C16 1.364(9) .
C15 C20 1.389(9) .
C15 O4 1.412(8) .
C16 C17 1.398(10) .
C16 H16 0.9400 .
C17 C18 1.402(10) .
C17 H17 0.9400 .
C18 C19 1.366(12) .
C18 H18 0.9400 .
C19 C20 1.363(11) .
C19 H19 0.9400 .
C20 H20 0.9400 .
C21 C26 1.359(10) .
C21 C22 1.386(10) .
C21 O5 1.431(7) .
C22 C23 1.398(11) .
C22 H22 0.9400 .
C23 C24 1.377(14) .
C23 H23 0.9400 .
C24 C25 1.365(13) .
C24 H24 0.9400 .
C25 C26 1.384(10) .
C25 H25 0.9400 .
C26 H26 0.9400 .
O2 H2A 0.8300 .
O3 P1 1.586(5) .
O4 P1 1.595(4) .
O5 P1 1.583(4) .
F1 Sb1 1.819(5) .
F2 Sb1 1.864(4) .
F3 Sb1 1.879(4) .
F4 Sb1 1.835(6) .
F5 Sb1 1.827(7) .
F6 Sb1 1.850(8) .
P1 Ru1 2.2842(16) .
Cl1 Ru1 2.4290(13) .
Cl1 Ru1 2.4363(14) 3_556
Ru1 Cl1 2.4363(14) 3_556
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_4
C6 C1 C2 C3 -1.8(8) . .
Ru1 C1 C2 C3 -56.0(5) . .
C6 C1 C2 Ru1 54.2(5) . .
C1 C2 C3 C4 -5.0(8) . .
Ru1 C2 C3 C4 -61.2(5) . .
C1 C2 C3 Ru1 56.2(5) . .
C2 C3 C4 O1 -177.3(5) . .
Ru1 C3 C4 O1 124.7(5) . .
C2 C3 C4 C5 8.8(8) . .
Ru1 C3 C4 C5 -49.3(5) . .
C2 C3 C4 Ru1 58.1(5) . .
O1 C4 C5 C6 179.8(5) . .
C3 C4 C5 C6 -5.8(8) . .
Ru1 C4 C5 C6 -53.4(5) . .
O1 C4 C5 Ru1 -126.8(5) . .
C3 C4 C5 Ru1 47.6(5) . .
C2 C1 C6 C5 5.0(8) . .
Ru1 C1 C6 C5 58.1(5) . .
C2 C1 C6 Ru1 -53.1(5) . .
C4 C5 C6 C1 -1.1(8) . .
Ru1 C5 C6 C1 -56.8(5) . .
C4 C5 C6 Ru1 55.7(5) . .
O1 C7 C8 O2 74.6(8) . .
C14 C9 C10 C11 1.7(11) . .
O3 C9 C10 C11 179.8(6) . .
C9 C10 C11 C12 0.2(11) . .
C10 C11 C12 C13 -2.0(14) . .
C11 C12 C13 C14 2.0(16) . .
C12 C13 C14 C9 0.0(15) . .
C10 C9 C14 C13 -1.9(13) . .
O3 C9 C14 C13 180.0(8) . .
C20 C15 C16 C17 2.8(10) . .
O4 C15 C16 C17 -179.0(6) . .
C15 C16 C17 C18 -0.6(10) . .
C16 C17 C18 C19 -1.2(11) . .
C17 C18 C19 C20 0.9(12) . .
C18 C19 C20 C15 1.2(11) . .
C16 C15 C20 C19 -3.1(10) . .
O4 C15 C20 C19 178.6(6) . .
C26 C21 C22 C23 1.1(10) . .
O5 C21 C22 C23 179.0(6) . .
C21 C22 C23 C24 -0.4(11) . .
C22 C23 C24 C25 -0.8(12) . .
C23 C24 C25 C26 1.5(11) . .
C22 C21 C26 C25 -0.4(10) . .
O5 C21 C26 C25 -178.4(5) . .
C24 C25 C26 C21 -0.8(10) . .
C5 C4 O1 C7 173.5(5) . .
C3 C4 O1 C7 -0.6(8) . .
Ru1 C4 O1 C7 87.0(7) . .
C8 C7 O1 C4 -178.0(6) . .
C10 C9 O3 P1 74.8(7) . .
C14 C9 O3 P1 -107.0(7) . .
C16 C15 O4 P1 40.3(8) . .
C20 C15 O4 P1 -141.4(5) . .
C26 C21 O5 P1 -81.4(6) . .
C22 C21 O5 P1 100.5(6) . .
C21 O5 P1 O3 44.9(5) . .
C21 O5 P1 O4 -56.7(5) . .
C21 O5 P1 Ru1 171.1(4) . .
C9 O3 P1 O5 169.4(5) . .
C9 O3 P1 O4 -83.0(5) . .
C9 O3 P1 Ru1 44.1(5) . .
C15 O4 P1 O5 -89.4(5) . .
C15 O4 P1 O3 168.8(5) . .
C15 O4 P1 Ru1 41.8(5) . .
C1 C2 Ru1 C3 -132.6(5) . .
C3 C2 Ru1 C6 103.5(4) . .
C1 C2 Ru1 C6 -29.1(4) . .
C3 C2 Ru1 C1 132.6(5) . .
C3 C2 Ru1 P1 -122.3(3) . .
C1 C2 Ru1 P1 105.1(3) . .
C3 C2 Ru1 C5 66.8(4) . .
C1 C2 Ru1 C5 -65.8(4) . .
C3 C2 Ru1 C4 31.4(4) . .
C1 C2 Ru1 C4 -101.2(4) . .
C3 C2 Ru1 Cl1 152.5(3) . .
C1 C2 Ru1 Cl1 19.9(6) . .
C3 C2 Ru1 Cl1 -29.7(4) . 3_556
C1 C2 Ru1 Cl1 -162.3(3) . 3_556
C4 C3 Ru1 C2 127.8(5) . .
C2 C3 Ru1 C6 -65.2(4) . .
C4 C3 Ru1 C6 62.5(4) . .
C2 C3 Ru1 C1 -29.1(4) . .
C4 C3 Ru1 C1 98.7(4) . .
C2 C3 Ru1 P1 62.4(4) . .
C4 C3 Ru1 P1 -169.9(3) . .
C2 C3 Ru1 C5 -101.3(4) . .
C4 C3 Ru1 C5 26.5(3) . .
C2 C3 Ru1 C4 -127.8(5) . .
C2 C3 Ru1 Cl1 -117.9(6) . .
C4 C3 Ru1 Cl1 9.8(8) . .
C2 C3 Ru1 Cl1 158.3(3) . 3_556
C4 C3 Ru1 Cl1 -74.0(3) . 3_556
C1 C6 Ru1 C2 29.9(4) . .
C5 C6 Ru1 C2 -101.4(4) . .
C1 C6 Ru1 C3 66.5(4) . .
C5 C6 Ru1 C3 -64.8(4) . .
C5 C6 Ru1 C1 -131.3(5) . .
C1 C6 Ru1 P1 -37.2(4) . .
C5 C6 Ru1 P1 -168.5(3) . .
C1 C6 Ru1 C5 131.3(5) . .
C1 C6 Ru1 C4 102.4(4) . .
C5 C6 Ru1 C4 -28.9(3) . .
C1 C6 Ru1 Cl1 -126.3(4) . .
C5 C6 Ru1 Cl1 102.4(3) . .
C1 C6 Ru1 Cl1 157.6(3) . 3_556
C5 C6 Ru1 Cl1 26.4(5) . 3_556
C6 C1 Ru1 C2 -131.4(6) . .
C6 C1 Ru1 C3 -102.7(4) . .
C2 C1 Ru1 C3 28.7(4) . .
C2 C1 Ru1 C6 131.4(6) . .
C6 C1 Ru1 P1 151.6(3) . .
C2 C1 Ru1 P1 -77.0(4) . .
C6 C1 Ru1 C5 -29.5(4) . .
C2 C1 Ru1 C5 102.0(4) . .
C6 C1 Ru1 C4 -65.3(4) . .
C2 C1 Ru1 C4 66.1(4) . .
C6 C1 Ru1 Cl1 59.9(4) . .
C2 C1 Ru1 Cl1 -168.7(3) . .
C6 C1 Ru1 Cl1 -74.7(7) . 3_556
C2 C1 Ru1 Cl1 56.7(7) . 3_556
O5 P1 Ru1 C2 159.3(3) . .
O3 P1 Ru1 C2 -84.4(3) . .
O4 P1 Ru1 C2 32.9(3) . .
O5 P1 Ru1 C3 127.1(3) . .
O3 P1 Ru1 C3 -116.7(3) . .
O4 P1 Ru1 C3 0.6(3) . .
O5 P1 Ru1 C6 -143.0(3) . .
O3 P1 Ru1 C6 -26.7(3) . .
O4 P1 Ru1 C6 90.6(3) . .
O5 P1 Ru1 C1 -164.3(3) . .
O3 P1 Ru1 C1 -48.0(3) . .
O4 P1 Ru1 C1 69.3(3) . .
O5 P1 Ru1 C5 -167.7(6) . .
O3 P1 Ru1 C5 -51.5(6) . .
O4 P1 Ru1 C5 65.8(6) . .
O5 P1 Ru1 C4 116.9(3) . .
O3 P1 Ru1 C4 -126.8(3) . .
O4 P1 Ru1 C4 -9.5(3) . .
O5 P1 Ru1 Cl1 -52.9(2) . .
O3 P1 Ru1 Cl1 63.42(19) . .
O4 P1 Ru1 Cl1 -179.3(2) . .
O5 P1 Ru1 Cl1 27.0(2) . 3_556
O3 P1 Ru1 Cl1 143.24(19) . 3_556
O4 P1 Ru1 Cl1 -99.5(2) . 3_556
C6 C5 Ru1 C2 66.9(4) . .
C4 C5 Ru1 C2 -64.4(4) . .
C6 C5 Ru1 C3 104.1(4) . .
C4 C5 Ru1 C3 -27.2(3) . .
C4 C5 Ru1 C6 -131.3(5) . .
C6 C5 Ru1 C1 29.4(3) . .
C4 C5 Ru1 C1 -102.0(4) . .
C6 C5 Ru1 P1 33.2(8) . .
C4 C5 Ru1 P1 -98.2(6) . .
C6 C5 Ru1 C4 131.3(5) . .
C6 C5 Ru1 Cl1 -80.5(3) . .
C4 C5 Ru1 Cl1 148.2(3) . .
C6 C5 Ru1 Cl1 -161.9(3) . 3_556
C4 C5 Ru1 Cl1 66.7(3) . 3_556
O1 C4 Ru1 C2 -147.6(7) . .
C5 C4 Ru1 C2 103.9(4) . .
C3 C4 Ru1 C2 -31.6(4) . .
O1 C4 Ru1 C3 -115.9(7) . .
C5 C4 Ru1 C3 135.6(5) . .
O1 C4 Ru1 C6 138.1(7) . .
C5 C4 Ru1 C6 29.6(3) . .
C3 C4 Ru1 C6 -106.0(4) . .
O1 C4 Ru1 C1 174.6(6) . .
C5 C4 Ru1 C1 66.1(4) . .
C3 C4 Ru1 C1 -69.5(4) . .
O1 C4 Ru1 P1 -99.6(6) . .
C5 C4 Ru1 P1 151.9(3) . .
C3 C4 Ru1 P1 16.3(5) . .
O1 C4 Ru1 C5 108.5(7) . .
C3 C4 Ru1 C5 -135.6(5) . .
O1 C4 Ru1 Cl1 67.5(6) . .
C5 C4 Ru1 Cl1 -41.0(4) . .
C3 C4 Ru1 Cl1 -176.6(3) . .
O1 C4 Ru1 Cl1 -7.9(6) . 3_556
C5 C4 Ru1 Cl1 -116.4(3) . 3_556
C3 C4 Ru1 Cl1 108.0(3) . 3_556
Ru1 Cl1 Ru1 C2 178.3(3) 3_556 .
Ru1 Cl1 Ru1 C3 -86.5(6) 3_556 .
Ru1 Cl1 Ru1 C6 -137.87(17) 3_556 .
Ru1 Cl1 Ru1 C1 -168.79(17) 3_556 .
Ru1 Cl1 Ru1 P1 93.20(6) 3_556 .
Ru1 Cl1 Ru1 C5 -101.88(17) 3_556 .
Ru1 Cl1 Ru1 C4 -79.1(2) 3_556 .
Ru1 Cl1 Ru1 Cl1 0.0 3_556 3_556
