#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:43:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179933 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/28/7022802.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_7022802
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 Cl3 O4 P2 Ru2, F6 Sb, 2(C4 H10 O)'
_chemical_formula_sum            'C60 H70 Cl3 F6 O6 P2 Ru2 Sb'
_chemical_formula_weight         1493.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 114.850(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   31.3423(11)
_cell_length_b                   14.4711(7)
_cell_length_c                   15.0960(5)
_cell_measurement_reflns_used    6905
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.6755
_cell_measurement_theta_min      3.1060
_cell_volume                     6213.0(5)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
;
_computing_molecular_graphics    'PLATON (Spek, 2007)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-99 (Beurskens, 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0827
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device
;
165 mm Onyx CCD detector in κ-geometry diffractometer
;
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur Nova
;
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17101
_diffrn_reflns_theta_full        66.98
_diffrn_reflns_theta_max         66.98
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    9.543
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.32744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.37 (release 24-10-2008 CrysAlis171 .NET)
(compiled Oct 24 2008,09:44:38)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.316
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.037
_refine_diff_density_max         1.885
_refine_diff_density_min         -2.202
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     341
_refine_ls_number_reflns         5479
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0526
_refine_ls_R_factor_gt           0.0423
_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)+(0.0805P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1206
_reflns_number_gt                4378
_reflns_number_total             5479
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c3dt33051f.txt
_cod_data_source_block           3
_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_cell_volume        6213.0(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7022802
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.10690(17) 0.0229(4) 0.7168(4) 0.0373(11) Uani 1 1 d .
H1 H 0.1174 -0.0252 0.6903 0.045 Uiso 1 1 calc R
C25 C 0.2133(2) -0.2183(5) 0.8423(4) 0.0570(17) Uani 1 1 d .
H25 H 0.2458 -0.2250 0.8733 0.068 Uiso 1 1 calc R
C6 C 0.06129(16) 0.0570(4) 0.6693(3) 0.0335(11) Uani 1 1 d .
H6 H 0.0402 0.0270 0.6136 0.040 Uiso 1 1 calc R
C5 C 0.04602(16) 0.1365(4) 0.7036(3) 0.0343(11) Uani 1 1 d .
H5 H 0.0157 0.1592 0.6694 0.041 Uiso 1 1 calc R
C4 C 0.07675(17) 0.1795(4) 0.7883(4) 0.0362(11) Uani 1 1 d .
C3 C 0.12167(16) 0.1391(4) 0.8459(4) 0.0395(12) Uani 1 1 d .
H3 H 0.1404 0.1620 0.9077 0.047 Uiso 1 1 calc R
C2 C 0.13696(16) 0.0642(4) 0.8075(4) 0.0408(13) Uani 1 1 d .
H2 H 0.1672 0.0412 0.8417 0.049 Uiso 1 1 calc R
C7 C 0.0874(3) 0.3017(5) 0.9027(6) 0.0690(8) Uani 1 1 d .
H7A H 0.1168 0.3216 0.9019 0.083 Uiso 1 1 calc R
H7B H 0.0943 0.2622 0.9590 0.083 Uiso 1 1 calc R
C8 C 0.0585(3) 0.3836(5) 0.9059(6) 0.0690(8) Uani 1 1 d .
H8A H 0.0301 0.3621 0.9102 0.083 Uiso 1 1 calc R
H8B H 0.0763 0.4199 0.9638 0.083 Uiso 1 1 calc R
C26 C 0.18942(19) -0.1786(4) 0.8923(4) 0.0460(14) Uani 1 1 d .
H26 H 0.2060 -0.1582 0.9562 0.055 Uiso 1 1 calc R
C12 C 0.21920(18) -0.0740(5) 1.2197(4) 0.0513(17) Uani 1 1 d .
H12 H 0.2423 -0.0671 1.2830 0.062 Uiso 1 1 calc R
C19 C 0.0055(2) -0.2371(4) 0.9601(4) 0.0440(13) Uani 1 1 d .
H19 H -0.0147 -0.2199 0.9880 0.053 Uiso 1 1 calc R
C16 C 0.0664(2) -0.2885(4) 0.8796(5) 0.0514(14) Uani 1 1 d .
H16 H 0.0870 -0.3066 0.8530 0.062 Uiso 1 1 calc R
C18 C 0.0041(2) -0.3267(4) 0.9252(4) 0.0543(15) Uani 1 1 d .
H18 H -0.0172 -0.3694 0.9291 0.065 Uiso 1 1 calc R
C10 C 0.17446(17) -0.0129(5) 1.0601(4) 0.0435(13) Uani 1 1 d .
H10 H 0.1674 0.0357 1.0160 0.052 Uiso 1 1 calc R
C21 C 0.14117(18) -0.1693(4) 0.8473(4) 0.0401(12) Uani 1 1 d .
C23 C 0.1406(3) -0.2384(5) 0.7019(4) 0.0620(19) Uani 1 1 d .
H23 H 0.1241 -0.2588 0.6380 0.074 Uiso 1 1 calc R
C17 C 0.0343(3) -0.3514(5) 0.8853(5) 0.0639(18) Uani 1 1 d .
H17 H 0.0333 -0.4111 0.8617 0.077 Uiso 1 1 calc R
C20 C 0.03683(18) -0.1738(4) 0.9531(3) 0.0358(11) Uani 1 1 d .
H20 H 0.0371 -0.1137 0.9753 0.043 Uiso 1 1 calc R
C11 C 0.20935(18) -0.0017(5) 1.1555(4) 0.0514(16) Uani 1 1 d .
H11 H 0.2255 0.0539 1.1747 0.062 Uiso 1 1 calc R
C9 C 0.15082(15) -0.0943(4) 1.0318(3) 0.0381(12) Uani 1 1 d .
C15 C 0.06807(16) -0.1988(4) 0.9133(3) 0.0356(11) Uani 1 1 d .
C14 C 0.16103(17) -0.1673(5) 1.0975(4) 0.0436(13) Uani 1 1 d .
H14 H 0.1449 -0.2229 1.0782 0.052 Uiso 1 1 calc R
C22 C 0.1166(2) -0.1991(5) 0.7508(4) 0.0521(15) Uani 1 1 d .
H22 H 0.0841 -0.1923 0.7197 0.063 Uiso 1 1 calc R
C24 C 0.1890(2) -0.2479(5) 0.7468(5) 0.0624(19) Uani 1 1 d .
H24 H 0.2051 -0.2737 0.7132 0.075 Uiso 1 1 calc R
C13 C 0.19547(18) -0.1567(5) 1.1921(4) 0.0487(15) Uani 1 1 d .
H13 H 0.2025 -0.2051 1.2364 0.058 Uiso 1 1 calc R
C27 C 0.6736(4) 0.9651(8) 0.4967(10) 0.128(5) Uani 1 1 d .
H27A H 0.6758 1.0270 0.5211 0.191 Uiso 1 1 calc R
H27B H 0.6989 0.9286 0.5421 0.191 Uiso 1 1 calc R
H27C H 0.6441 0.9385 0.4885 0.191 Uiso 1 1 calc R
C28 C 0.6768(4) 0.9670(9) 0.3965(9) 0.118(4) Uani 1 1 d .
H28A H 0.7049 0.9999 0.4033 0.141 Uiso 1 1 calc R
H28B H 0.6790 0.9042 0.3763 0.141 Uiso 1 1 calc R
C29 C 0.6370(4) 1.0242(9) 0.2245(9) 0.118(2) Uani 1 1 d .
H29A H 0.6673 1.0480 0.2322 0.142 Uiso 1 1 calc R
H29B H 0.6321 0.9652 0.1911 0.142 Uiso 1 1 calc R
C30 C 0.6007(4) 1.0874(11) 0.1667(8) 0.145(6) Uani 1 1 d .
H30A H 0.5708 1.0644 0.1600 0.218 Uiso 1 1 calc R
H30B H 0.6006 1.0936 0.1033 0.218 Uiso 1 1 calc R
H30C H 0.6064 1.1467 0.1983 0.218 Uiso 1 1 calc R
Cl2 Cl 0.05940(3) 0.06622(8) 0.95995(7) 0.0284(2) Uani 1 1 d .
Cl1 Cl 0.0000 -0.06236(11) 0.7500 0.0259(3) Uani 1 2 d S
F1 F 0.29544(12) 0.2054(3) 0.1187(2) 0.0627(10) Uani 1 1 d .
F2 F 0.23851(12) 0.1290(3) -0.0493(2) 0.0597(9) Uani 1 1 d .
F3 F 0.20349(12) 0.2351(3) 0.0454(3) 0.0677(12) Uani 1 1 d .
O1 O 0.0592(2) 0.2537(3) 0.8147(4) 0.0690(8) Uani 1 1 d .
O2 O 0.0462(2) 0.4399(3) 0.8222(4) 0.0690(8) Uani 1 1 d .
H2A H 0.0700 0.4540 0.8155 0.103 Uiso 1 1 calc R
O3 O 0.6372(3) 1.0103(6) 0.3247(7) 0.118(2) Uani 1 1 d .
P1 P 0.10791(4) -0.11005(10) 0.90485(8) 0.0328(3) Uani 1 1 d .
Ru1 Ru 0.072937(10) 0.02453(3) 0.81905(2) 0.02570(12) Uani 1 1 d .
Sb1 Sb 0.2500 0.2500 0.0000 0.04463(17) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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
C6 C1 C2 117.8(5) . .
C6 C1 Ru1 70.4(3) . .
C2 C1 Ru1 69.1(3) . .
C6 C1 H1 121.1 . .
C2 C1 H1 121.1 . .
Ru1 C1 H1 132.0 . .
C24 C25 C26 120.6(6) . .
C24 C25 H25 119.7 . .
C26 C25 H25 119.7 . .
C1 C6 C5 121.9(5) . .
C1 C6 Ru1 72.7(3) . .
C5 C6 Ru1 74.5(3) . .
C1 C6 H6 119.1 . .
C5 C6 H6 119.1 . .
Ru1 C6 H6 125.6 . .
C4 C5 C6 119.3(5) . .
C4 C5 Ru1 73.8(3) . .
C6 C5 Ru1 68.2(3) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
Ru1 C5 H5 130.0 . .
O1 C4 C5 114.9(5) . .
O1 C4 C3 124.7(5) . .
C5 C4 C3 120.1(5) . .
O1 C4 Ru1 131.1(4) . .
C5 C4 Ru1 70.9(3) . .
C3 C4 Ru1 66.5(3) . .
C2 C3 C4 118.9(5) . .
C2 C3 Ru1 70.7(3) . .
C4 C3 Ru1 76.4(3) . .
C2 C3 H3 120.5 . .
C4 C3 H3 120.5 . .
Ru1 C3 H3 123.9 . .
C3 C2 C1 121.1(5) . .
C3 C2 Ru1 71.5(3) . .
C1 C2 Ru1 72.8(3) . .
C3 C2 H2 119.4 . .
C1 C2 H2 119.4 . .
Ru1 C2 H2 128.5 . .
O1 C7 C8 105.5(7) . .
O1 C7 H7A 110.6 . .
C8 C7 H7A 110.6 . .
O1 C7 H7B 110.6 . .
C8 C7 H7B 110.6 . .
H7A C7 H7B 108.8 . .
O2 C8 C7 111.5(6) . .
O2 C8 H8A 109.3 . .
C7 C8 H8A 109.3 . .
O2 C8 H8B 109.3 . .
C7 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
C21 C26 C25 120.1(6) . .
C21 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C11 C12 C13 121.1(5) . .
C11 C12 H12 119.4 . .
C13 C12 H12 119.4 . .
C20 C19 C18 120.0(5) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C17 C16 C15 120.4(5) . .
C17 C16 H16 119.8 . .
C15 C16 H16 119.8 . .
C17 C18 C19 119.5(6) . .
C17 C18 H18 120.3 . .
C19 C18 H18 120.3 . .
C9 C10 C11 120.6(6) . .
C9 C10 H10 119.7 . .
C11 C10 H10 119.7 . .
C26 C21 C22 119.5(5) . .
C26 C21 P1 122.6(4) . .
C22 C21 P1 117.7(4) . .
C22 C23 C24 120.7(6) . .
C22 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C18 C17 C16 120.8(6) . .
C18 C17 H17 119.6 . .
C16 C17 H17 119.6 . .
C19 C20 C15 120.8(5) . .
C19 C20 H20 119.6 . .
C15 C20 H20 119.6 . .
C12 C11 C10 118.9(7) . .
C12 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C10 C9 C14 120.1(5) . .
C10 C9 P1 119.9(4) . .
C14 C9 P1 119.9(5) . .
C16 C15 C20 118.4(5) . .
C16 C15 P1 123.4(4) . .
C20 C15 P1 118.1(4) . .
C13 C14 C9 119.7(6) . .
C13 C14 H14 120.1 . .
C9 C14 H14 120.1 . .
C23 C22 C21 120.0(5) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C23 C24 C25 119.1(5) . .
C23 C24 H24 120.4 . .
C25 C24 H24 120.4 . .
C12 C13 C14 119.6(6) . .
C12 C13 H13 120.2 . .
C14 C13 H13 120.2 . .
C28 C27 H27A 109.5 . .
C28 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C28 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
O3 C28 C27 111.2(10) . .
O3 C28 H28A 109.4 . .
C27 C28 H28A 109.4 . .
O3 C28 H28B 109.4 . .
C27 C28 H28B 109.4 . .
H28A C28 H28B 108.0 . .
C30 C29 O3 110.9(9) . .
C30 C29 H29A 109.5 . .
O3 C29 H29A 109.5 . .
C30 C29 H29B 109.5 . .
O3 C29 H29B 109.5 . .
H29A C29 H29B 108.0 . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Ru1 Cl1 Ru1 117.59(6) . 2_556
C4 O1 C7 119.6(6) . .
C8 O2 H2A 109.5 . .
C28 O3 C29 117.2(9) . .
C21 P1 C15 104.3(3) . .
C21 P1 C9 103.9(2) . .
C15 P1 C9 103.6(2) . .
C21 P1 Ru1 110.84(18) . .
C15 P1 Ru1 116.56(15) . .
C9 P1 Ru1 116.2(2) . .
C2 Ru1 C3 37.8(2) . .
C2 Ru1 C6 67.46(18) . .
C3 Ru1 C6 80.09(19) . .
C2 Ru1 C1 38.0(2) . .
C3 Ru1 C1 68.41(19) . .
C6 Ru1 C1 36.93(19) . .
C2 Ru1 C5 78.84(19) . .
C3 Ru1 C5 66.65(18) . .
C6 Ru1 C5 37.3(2) . .
C1 Ru1 C5 66.68(19) . .
C2 Ru1 C4 66.2(2) . .
C3 Ru1 C4 37.16(19) . .
C6 Ru1 C4 65.33(19) . .
C1 Ru1 C4 77.8(2) . .
C5 Ru1 C4 35.25(18) . .
C2 Ru1 P1 91.77(16) . .
C3 Ru1 P1 113.73(15) . .
C6 Ru1 P1 125.97(15) . .
C1 Ru1 P1 97.26(15) . .
C5 Ru1 P1 163.06(13) . .
C4 Ru1 P1 150.42(13) . .
C2 Ru1 Cl2 121.15(15) . .
C3 Ru1 Cl2 90.85(13) . .
C6 Ru1 Cl2 147.51(14) . .
C1 Ru1 Cl2 158.66(14) . .
C5 Ru1 Cl2 110.63(13) . .
C4 Ru1 Cl2 88.69(13) . .
P1 Ru1 Cl2 86.28(4) . .
C2 Ru1 Cl1 147.23(15) . .
C3 Ru1 Cl1 159.45(15) . .
C6 Ru1 Cl1 87.09(12) . .
C1 Ru1 Cl1 109.71(14) . .
C5 Ru1 Cl1 93.50(12) . .
C4 Ru1 Cl1 122.49(13) . .
P1 Ru1 Cl1 86.80(4) . .
Cl2 Ru1 Cl1 91.45(3) . .
F3 Sb1 F3 180.0(3) . 7
F3 Sb1 F1 90.36(17) . .
F3 Sb1 F1 89.64(17) 7 .
F3 Sb1 F1 89.64(17) . 7
F3 Sb1 F1 90.36(17) 7 7
F1 Sb1 F1 180.0(4) . 7
F3 Sb1 F2 89.36(18) . .
F3 Sb1 F2 90.64(18) 7 .
F1 Sb1 F2 89.99(17) . .
F1 Sb1 F2 90.01(17) 7 .
F3 Sb1 F2 90.64(18) . 7
F3 Sb1 F2 89.36(18) 7 7
F1 Sb1 F2 90.01(17) . 7
F1 Sb1 F2 89.99(17) 7 7
F2 Sb1 F2 180.0(2) . 7
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.393(7) .
C1 C2 1.426(8) .
C1 Ru1 2.212(5) .
C1 H1 0.9300 .
C25 C24 1.386(10) .
C25 C26 1.390(8) .
C25 H25 0.9300 .
C6 C5 1.424(8) .
C6 Ru1 2.184(4) .
C6 H6 0.9300 .
C5 C4 1.384(7) .
C5 Ru1 2.267(5) .
C5 H5 0.9300 .
C4 O1 1.341(8) .
C4 C3 1.432(7) .
C4 Ru1 2.304(5) .
C3 C2 1.405(8) .
C3 Ru1 2.174(5) .
C3 H3 0.9300 .
C2 Ru1 2.164(4) .
C2 H2 0.9300 .
C7 O1 1.429(9) .
C7 C8 1.504(11) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 O2 1.414(9) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C26 C21 1.379(7) .
C26 H26 0.9300 .
C12 C11 1.371(10) .
C12 C13 1.378(10) .
C12 H12 0.9300 .
C19 C20 1.378(8) .
C19 C18 1.394(8) .
C19 H19 0.9300 .
C16 C17 1.387(10) .
C16 C15 1.388(8) .
C16 H16 0.9300 .
C18 C17 1.364(10) .
C18 H18 0.9300 .
C10 C9 1.362(9) .
C10 C11 1.403(8) .
C10 H10 0.9300 .
C21 C22 1.400(8) .
C21 P1 1.827(5) .
C23 C22 1.380(8) .
C23 C24 1.385(10) .
C23 H23 0.9300 .
C17 H17 0.9300 .
C20 C15 1.395(7) .
C20 H20 0.9300 .
C11 H11 0.9300 .
C9 C14 1.391(8) .
C9 P1 1.835(5) .
C15 P1 1.832(6) .
C14 C13 1.390(8) .
C14 H14 0.9300 .
C22 H22 0.9300 .
C24 H24 0.9300 .
C13 H13 0.9300 .
C27 C28 1.556(15) .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 O3 1.406(13) .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C29 C30 1.436(16) .
C29 O3 1.524(13) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
Cl2 Ru1 2.4139(10) .
Cl1 Ru1 2.4271(8) .
Cl1 Ru1 2.4271(8) 2_556
F1 Sb1 1.874(3) .
F2 Sb1 1.878(4) .
F3 Sb1 1.866(3) .
O2 H2A 0.8200 .
P1 Ru1 2.3407(13) .
Sb1 F3 1.866(3) 7
Sb1 F1 1.874(3) 7
Sb1 F2 1.878(4) 7
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
C2 C1 C6 C5 6.4(7) .
Ru1 C1 C6 C5 58.4(4) .
C2 C1 C6 Ru1 -52.0(4) .
C1 C6 C5 C4 -2.2(7) .
Ru1 C6 C5 C4 55.4(4) .
C1 C6 C5 Ru1 -57.6(4) .
C6 C5 C4 O1 180.0(4) .
Ru1 C5 C4 O1 -127.3(4) .
C6 C5 C4 C3 -6.2(7) .
Ru1 C5 C4 C3 46.5(4) .
C6 C5 C4 Ru1 -52.7(4) .
O1 C4 C3 C2 -176.7(5) .
C5 C4 C3 C2 10.2(7) .
Ru1 C4 C3 C2 58.5(4) .
O1 C4 C3 Ru1 124.8(5) .
C5 C4 C3 Ru1 -48.3(4) .
C4 C3 C2 C1 -5.8(7) .
Ru1 C3 C2 C1 55.6(4) .
C4 C3 C2 Ru1 -61.4(4) .
C6 C1 C2 C3 -2.3(7) .
Ru1 C1 C2 C3 -54.9(4) .
C6 C1 C2 Ru1 52.6(4) .
O1 C7 C8 O2 -57.7(8) .
C24 C25 C26 C21 0.8(11) .
C20 C19 C18 C17 0.7(10) .
C25 C26 C21 C22 -0.8(10) .
C25 C26 C21 P1 -175.2(5) .
C19 C18 C17 C16 0.3(11) .
C15 C16 C17 C18 -0.8(11) .
C18 C19 C20 C15 -1.3(8) .
C13 C12 C11 C10 -0.1(8) .
C9 C10 C11 C12 -0.1(8) .
C11 C10 C9 C14 0.2(8) .
C11 C10 C9 P1 -176.3(4) .
C17 C16 C15 C20 0.2(9) .
C17 C16 C15 P1 -177.8(5) .
C19 C20 C15 C16 0.9(8) .
C19 C20 C15 P1 179.0(4) .
C10 C9 C14 C13 -0.1(7) .
P1 C9 C14 C13 176.4(4) .
C24 C23 C22 C21 -0.8(12) .
C26 C21 C22 C23 0.8(10) .
P1 C21 C22 C23 175.5(6) .
C22 C23 C24 C25 0.8(12) .
C26 C25 C24 C23 -0.7(12) .
C11 C12 C13 C14 0.2(8) .
C9 C14 C13 C12 -0.1(7) .
C5 C4 O1 C7 178.0(5) .
C3 C4 O1 C7 4.6(9) .
Ru1 C4 O1 C7 92.2(7) .
C8 C7 O1 C4 176.1(5) .
C27 C28 O3 C29 175.3(10) .
C30 C29 O3 C28 -166.3(12) .
C26 C21 P1 C15 -119.6(5) .
C22 C21 P1 C15 65.9(5) .
C26 C21 P1 C9 -11.3(6) .
C22 C21 P1 C9 174.2(5) .
C26 C21 P1 Ru1 114.2(5) .
C22 C21 P1 Ru1 -60.3(6) .
C16 C15 P1 C21 -0.7(5) .
C20 C15 P1 C21 -178.8(4) .
C16 C15 P1 C9 -109.2(5) .
C20 C15 P1 C9 72.8(4) .
C16 C15 P1 Ru1 121.7(4) .
C20 C15 P1 Ru1 -56.3(4) .
C10 C9 P1 C21 96.3(4) .
C14 C9 P1 C21 -80.2(4) .
C10 C9 P1 C15 -155.0(4) .
C14 C9 P1 C15 28.5(4) .
C10 C9 P1 Ru1 -25.8(4) .
C14 C9 P1 Ru1 157.8(3) .
C1 C2 Ru1 C3 -132.4(5) .
C3 C2 Ru1 C6 103.3(3) .
C1 C2 Ru1 C6 -29.0(3) .
C3 C2 Ru1 C1 132.4(5) .
C3 C2 Ru1 C5 66.1(3) .
C1 C2 Ru1 C5 -66.2(3) .
C3 C2 Ru1 C4 31.5(3) .
C1 C2 Ru1 C4 -100.9(4) .
C3 C2 Ru1 P1 -128.1(3) .
C1 C2 Ru1 P1 99.5(3) .
C3 C2 Ru1 Cl2 -41.4(3) .
C1 C2 Ru1 Cl2 -173.7(3) .
C3 C2 Ru1 Cl1 145.1(3) .
C1 C2 Ru1 Cl1 12.7(5) .
C4 C3 Ru1 C2 127.7(4) .
C2 C3 Ru1 C6 -65.8(3) .
C4 C3 Ru1 C6 61.9(3) .
C2 C3 Ru1 C1 -29.3(3) .
C4 C3 Ru1 C1 98.4(3) .
C2 C3 Ru1 C5 -102.3(3) .
C4 C3 Ru1 C5 25.5(3) .
C2 C3 Ru1 C4 -127.7(4) .
C2 C3 Ru1 P1 59.2(3) .
C4 C3 Ru1 P1 -173.0(2) .
C2 C3 Ru1 Cl2 145.6(3) .
C4 C3 Ru1 Cl2 -86.7(3) .
C2 C3 Ru1 Cl1 -118.0(4) .
C4 C3 Ru1 Cl1 9.7(6) .
C1 C6 Ru1 C2 29.8(3) .
C5 C6 Ru1 C2 -101.5(3) .
C1 C6 Ru1 C3 67.1(3) .
C5 C6 Ru1 C3 -64.2(3) .
C5 C6 Ru1 C1 -131.3(4) .
C1 C6 Ru1 C5 131.3(4) .
C1 C6 Ru1 C4 103.0(3) .
C5 C6 Ru1 C4 -28.3(3) .
C1 C6 Ru1 P1 -45.1(4) .
C5 C6 Ru1 P1 -176.4(2) .
C1 C6 Ru1 Cl2 142.8(3) .
C5 C6 Ru1 Cl2 11.5(4) .
C1 C6 Ru1 Cl1 -129.0(3) .
C5 C6 Ru1 Cl1 99.6(2) .
C6 C1 Ru1 C2 -131.8(5) .
C6 C1 Ru1 C3 -102.6(4) .
C2 C1 Ru1 C3 29.2(3) .
C2 C1 Ru1 C6 131.8(5) .
C6 C1 Ru1 C5 -29.7(3) .
C2 C1 Ru1 C5 102.1(4) .
C6 C1 Ru1 C4 -64.9(3) .
C2 C1 Ru1 C4 66.8(4) .
C6 C1 Ru1 P1 144.7(3) .
C2 C1 Ru1 P1 -83.6(3) .
C6 C1 Ru1 Cl2 -116.9(4) .
C2 C1 Ru1 Cl2 14.9(6) .
C6 C1 Ru1 Cl1 55.5(3) .
C2 C1 Ru1 Cl1 -172.7(3) .
C4 C5 Ru1 C2 -64.4(3) .
C6 C5 Ru1 C2 67.3(3) .
C4 C5 Ru1 C3 -26.7(3) .
C6 C5 Ru1 C3 104.9(3) .
C4 C5 Ru1 C6 -131.7(4) .
C4 C5 Ru1 C1 -102.2(3) .
C6 C5 Ru1 C1 29.4(3) .
C6 C5 Ru1 C4 131.7(4) .
C4 C5 Ru1 P1 -121.7(4) .
C6 C5 Ru1 P1 9.9(6) .
C4 C5 Ru1 Cl2 54.9(3) .
C6 C5 Ru1 Cl2 -173.4(2) .
C4 C5 Ru1 Cl1 147.8(3) .
C6 C5 Ru1 Cl1 -80.6(3) .
O1 C4 Ru1 C2 -148.3(6) .
C5 C4 Ru1 C2 104.9(3) .
C3 C4 Ru1 C2 -32.0(3) .
O1 C4 Ru1 C3 -116.3(6) .
C5 C4 Ru1 C3 136.9(4) .
O1 C4 Ru1 C6 136.7(6) .
C5 C4 Ru1 C6 29.9(3) .
C3 C4 Ru1 C6 -107.0(3) .
O1 C4 Ru1 C1 173.5(5) .
C5 C4 Ru1 C1 66.6(3) .
C3 C4 Ru1 C1 -70.2(3) .
O1 C4 Ru1 C5 106.8(6) .
C3 C4 Ru1 C5 -136.9(4) .
O1 C4 Ru1 P1 -103.3(5) .
C5 C4 Ru1 P1 149.9(2) .
C3 C4 Ru1 P1 13.0(4) .
O1 C4 Ru1 Cl2 -23.2(5) .
C5 C4 Ru1 Cl2 -130.0(3) .
C3 C4 Ru1 Cl2 93.1(3) .
O1 C4 Ru1 Cl1 67.7(5) .
C5 C4 Ru1 Cl1 -39.1(3) .
C3 C4 Ru1 Cl1 -176.0(2) .
C21 P1 Ru1 C2 -45.2(3) .
C15 P1 Ru1 C2 -164.1(2) .
C9 P1 Ru1 C2 73.1(2) .
C21 P1 Ru1 C3 -77.0(2) .
C15 P1 Ru1 C3 164.0(2) .
C9 P1 Ru1 C3 41.3(2) .
C21 P1 Ru1 C6 18.0(3) .
C15 P1 Ru1 C6 -101.0(2) .
C9 P1 Ru1 C6 136.3(2) .
C21 P1 Ru1 C1 -7.4(2) .
C15 P1 Ru1 C1 -126.4(2) .
C9 P1 Ru1 C1 110.9(2) .
C21 P1 Ru1 C5 10.6(5) .
C15 P1 Ru1 C5 -108.4(4) .
C9 P1 Ru1 C5 128.9(4) .
C21 P1 Ru1 C4 -85.5(3) .
C15 P1 Ru1 C4 155.5(3) .
C9 P1 Ru1 C4 32.8(3) .
C21 P1 Ru1 Cl2 -166.3(2) .
C15 P1 Ru1 Cl2 74.75(18) .
C9 P1 Ru1 Cl2 -47.96(17) .
C21 P1 Ru1 Cl1 102.1(2) .
C15 P1 Ru1 Cl1 -16.92(18) .
C9 P1 Ru1 Cl1 -139.62(17) .
Ru1 Cl1 Ru1 C2 -111.6(3) 2_556
Ru1 Cl1 Ru1 C3 -22.4(4) 2_556
Ru1 Cl1 Ru1 C6 -73.59(14) 2_556
Ru1 Cl1 Ru1 C1 -103.31(16) 2_556
Ru1 Cl1 Ru1 C5 -36.85(13) 2_556
Ru1 Cl1 Ru1 C4 -15.45(14) 2_556
Ru1 Cl1 Ru1 P1 160.12(3) 2_556
Ru1 Cl1 Ru1 Cl2 73.92(3) 2_556
