#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/81/7028153.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7028153
loop_
_publ_author_name
'Süss-Fink, Georg'
'Godefroy, Isabelle'
'Ferrand, Vincent'
'Neels, Antonia'
'Stoeckli-Evans, Helen'
_publ_section_title
;
 Saturated and unsaturated triruthenium clusters containing three
 sterically demanding phosphine ligands: synthesis and structure of
 [Ru3(CO)9(PCy3)3] and [Ru3H2(CO)6(PCy3)3]
;
_journal_issue                   4
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              515
_journal_paper_doi               10.1039/a708037i
_journal_year                    1998
_chemical_formula_sum            'C63.6 H103.2 Cl1.2 O10.5 P3 Ru3'
_chemical_formula_weight         1474.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.1347(12)
_cell_length_b                   24.1347(12)
_cell_length_c                   24.1347(12)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      19.9
_cell_measurement_theta_min      13.3
_cell_volume                     14058.1(12)
_computing_cell_refinement       'STOE DIF4'
_computing_data_collection       'STOE DIF4'
_computing_data_reduction        'STOE REDU4'
_computing_molecular_graphics    'Schakal 92 (Keller, Germany, 1993)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-93 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measurement_device_type  'STOE-Siemens AED2 4 circle diffractometer'
_diffrn_measurement_method       2Θ/Ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0430
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       2
_diffrn_reflns_number            4156
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.802
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             6130
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.120
_refine_diff_density_min         -0.582
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.00026(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.194
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4156
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0528P)²+71.1082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1536
_reflns_number_gt                3224
_reflns_number_total             4156
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            i708037sup1.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+71.1082P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0528P)^2^+71.1082P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P a-3'
_cod_original_formula_sum        'C63.60 H103.20 Cl1.20 O10.50 P3 Ru3'
_cod_database_code               7028153
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'y, z, x'
'z, x, y'
'x+1/2, y, -z+1/2'
'y+1/2, z, -x+1/2'
'z+1/2, x, -y+1/2'
'y+1/2, -z+1/2, -x'
'z+1/2, -x+1/2, -y'
'-z, x+1/2, -y+1/2'
'-x, y+1/2, -z+1/2'
'-y, z+1/2, -x+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'-y, -z, -x'
'-z, -x, -y'
'-x-1/2, -y, z-1/2'
'-y-1/2, -z, x-1/2'
'-z-1/2, -x, y-1/2'
'-y-1/2, z-1/2, x'
'-z-1/2, x-1/2, y'
'z, -x-1/2, y-1/2'
'x, -y-1/2, z-1/2'
'y, -z-1/2, x-1/2'
'-x-1/2, 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_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.21372(2) 0.29115(2) 0.19840(2) 0.01966(19) Uani 1 d .
C1 C 0.1630(3) 0.2440(3) 0.1588(3) 0.0247(14) Uani 1 d .
C2 C 0.2499(3) 0.3117(3) 0.1328(3) 0.0273(14) Uani 1 d .
C3 C 0.2648(3) 0.3339(3) 0.2428(3) 0.0293(15) Uani 1 d .
C4 C 0.0797(2) 0.3484(3) 0.1695(3) 0.0246(14) Uani 1 d .
H4 H 0.0891 0.3336 0.1324 0.029 Uiso 1 calc R
C5 C 0.0475(3) 0.3013(3) 0.1987(3) 0.0297(15) Uani 1 d .
H5A H 0.0726 0.2702 0.2062 0.045 Uiso 1 calc R
H5B H 0.0329 0.3146 0.2342 0.045 Uiso 1 calc R
C6 C -0.0005(3) 0.2816(3) 0.1619(3) 0.0356(17) Uani 1 d .
H6A H 0.0145 0.2652 0.1279 0.053 Uiso 1 calc R
H6B H -0.0214 0.2527 0.1814 0.053 Uiso 1 calc R
C7 C -0.0398(3) 0.3288(3) 0.1466(3) 0.0413(19) Uani 1 d .
H7A H -0.0593 0.3416 0.1799 0.062 Uiso 1 calc R
H7B H -0.0674 0.3155 0.1201 0.062 Uiso 1 calc R
C8 C -0.0075(3) 0.3772(3) 0.1212(3) 0.0386(17) Uani 1 d .
H8A H 0.0080 0.3656 0.0855 0.058 Uiso 1 calc R
H8B H -0.0329 0.4081 0.1143 0.058 Uiso 1 calc R
C9 C 0.0390(3) 0.3966(3) 0.1586(3) 0.0346(16) Uani 1 d .
H9A H 0.0237 0.4098 0.1939 0.052 Uiso 1 calc R
H9B H 0.0588 0.4275 0.1411 0.052 Uiso 1 calc R
C10 C 0.1683(3) 0.4276(3) 0.1614(3) 0.0269(14) Uani 1 d .
H10 H 0.1409 0.4569 0.1701 0.032 Uiso 1 calc R
C11 C 0.2250(3) 0.4504(3) 0.1793(3) 0.0331(16) Uani 1 d .
H11A H 0.2253 0.4553 0.2197 0.050 Uiso 1 calc R
H11B H 0.2539 0.4236 0.1697 0.050 Uiso 1 calc R
C12 C 0.2374(3) 0.5056(3) 0.1514(3) 0.0406(18) Uani 1 d .
H12A H 0.2744 0.5182 0.1624 0.061 Uiso 1 calc R
H12B H 0.2104 0.5333 0.1637 0.061 Uiso 1 calc R
C13 C 0.2348(3) 0.5002(3) 0.0882(3) 0.046(2) Uani 1 d .
H13A H 0.2399 0.5368 0.0713 0.069 Uiso 1 calc R
H13B H 0.2649 0.4762 0.0755 0.069 Uiso 1 calc R
C14 C 0.1797(3) 0.4761(3) 0.0698(3) 0.0410(18) Uani 1 d .
H14A H 0.1802 0.4709 0.0296 0.062 Uiso 1 calc R
H14B H 0.1501 0.5025 0.0786 0.062 Uiso 1 calc R
C15 C 0.1672(3) 0.4205(3) 0.0979(3) 0.0329(16) Uani 1 d .
H15A H 0.1949 0.3929 0.0867 0.049 Uiso 1 calc R
H15B H 0.1307 0.4071 0.0863 0.049 Uiso 1 calc R
C16 C 0.1264(3) 0.3971(3) 0.2708(3) 0.0252(14) Uani 1 d .
H16 H 0.0935 0.3758 0.2830 0.030 Uiso 1 calc R
C17 C 0.1079(3) 0.4582(3) 0.2700(3) 0.0395(18) Uani 1 d .
H17A H 0.1395 0.4817 0.2602 0.059 Uiso 1 calc R
H17B H 0.0793 0.4632 0.2416 0.059 Uiso 1 calc R
C18 C 0.0851(4) 0.4759(3) 0.3266(3) 0.047(2) Uani 1 d .
H18A H 0.0756 0.5153 0.3256 0.070 Uiso 1 calc R
H18B H 0.0511 0.4550 0.3346 0.070 Uiso 1 calc R
C19 C 0.1270(4) 0.4656(3) 0.3725(3) 0.053(2) Uani 1 d .
H19A H 0.1102 0.4745 0.4084 0.080 Uiso 1 calc R
H19B H 0.1589 0.4902 0.3672 0.080 Uiso 1 calc R
C20 C 0.1468(4) 0.4054(3) 0.3731(3) 0.049(2) Uani 1 d .
H20A H 0.1758 0.4008 0.4011 0.073 Uiso 1 calc R
H20B H 0.1159 0.3809 0.3828 0.073 Uiso 1 calc R
C21 C 0.1695(3) 0.3893(3) 0.3165(3) 0.0363(17) Uani 1 d .
H21A H 0.1812 0.3505 0.3173 0.054 Uiso 1 calc R
H21B H 0.2021 0.4121 0.3082 0.054 Uiso 1 calc R
C22 C 0.0915(6) 0.4085(6) 0.5915(6) 0.063(7) Uani 0.60 d SP
O1 O 0.1323(2) 0.21946(19) 0.13210(19) 0.0341(11) Uani 1 d .
O2 O 0.2730(2) 0.3233(2) 0.0929(2) 0.0372(12) Uani 1 d .
O3 O 0.2944(2) 0.3631(2) 0.2654(2) 0.0368(12) Uani 1 d .
O23 O 0.0500(4) 0.4793(10) 0.0178(11) 0.077(5) Uani 0.50 d P
P1 P 0.14720(7) 0.36576(6) 0.20217(7) 0.0222(4) Uani 1 d .
Cl1A Cl 0.1152(11) 0.438(3) 0.5354(17) 0.21(2) Uani 0.20 d P
Cl1B Cl 0.1005(17) 0.4004(9) 0.5229(7) 0.122(12) Uani 0.20 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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'
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
C2 Ru1 C1 91.9(3) . .
C2 Ru1 C3 91.7(3) . .
C1 Ru1 C3 175.3(3) . .
C2 Ru1 P1 98.3(2) . .
C1 Ru1 P1 92.13(19) . .
C3 Ru1 P1 90.3(2) . .
C2 Ru1 Ru1 90.7(2) . 2
C1 Ru1 Ru1 90.93(19) . 2
C3 Ru1 Ru1 86.1(2) . 2
P1 Ru1 Ru1 170.43(4) . 2
C2 Ru1 Ru1 150.5(2) . 3
C1 Ru1 Ru1 85.52(18) . 3
C3 Ru1 Ru1 89.85(19) . 3
P1 Ru1 Ru1 111.21(5) . 3
Ru1 Ru1 Ru1 60.0 2 3
O1 C1 Ru1 174.2(5) . .
O2 C2 Ru1 178.2(6) . .
O3 C3 Ru1 173.4(6) . .
C9 C4 C5 108.2(5) . .
C9 C4 P1 117.3(5) . .
C5 C4 P1 114.4(4) . .
C9 C4 H4 105.3 . .
C5 C4 H4 105.3 . .
P1 C4 H4 105.3 . .
C6 C5 C4 110.1(5) . .
C6 C5 H5A 109.6 . .
C4 C5 H5A 109.6 . .
C6 C5 H5B 109.6 . .
C4 C5 H5B 109.6 . .
H5A C5 H5B 108.2 . .
C7 C6 C5 112.1(6) . .
C7 C6 H6A 109.2 . .
C5 C6 H6A 109.2 . .
C7 C6 H6B 109.2 . .
C5 C6 H6B 109.2 . .
H6A C6 H6B 107.9 . .
C6 C7 C8 110.5(6) . .
C6 C7 H7A 109.5 . .
C8 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
C8 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
C9 C8 C7 111.9(6) . .
C9 C8 H8A 109.2 . .
C7 C8 H8A 109.2 . .
C9 C8 H8B 109.2 . .
C7 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
C8 C9 C4 109.8(6) . .
C8 C9 H9A 109.7 . .
C4 C9 H9A 109.7 . .
C8 C9 H9B 109.7 . .
C4 C9 H9B 109.7 . .
H9A C9 H9B 108.2 . .
C11 C10 C15 109.6(5) . .
C11 C10 P1 112.4(5) . .
C15 C10 P1 115.6(5) . .
C11 C10 H10 106.2 . .
C15 C10 H10 106.2 . .
P1 C10 H10 106.2 . .
C12 C11 C10 111.3(6) . .
C12 C11 H11A 109.4 . .
C10 C11 H11A 109.4 . .
C12 C11 H11B 109.4 . .
C10 C11 H11B 109.4 . .
H11A C11 H11B 108.0 . .
C11 C12 C13 111.0(6) . .
C11 C12 H12A 109.4 . .
C13 C12 H12A 109.4 . .
C11 C12 H12B 109.4 . .
C13 C12 H12B 109.4 . .
H12A C12 H12B 108.0 . .
C14 C13 C12 111.1(6) . .
C14 C13 H13A 109.4 . .
C12 C13 H13A 109.4 . .
C14 C13 H13B 109.4 . .
C12 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
C13 C14 C15 112.2(6) . .
C13 C14 H14A 109.2 . .
C15 C14 H14A 109.2 . .
C13 C14 H14B 109.2 . .
C15 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C14 C15 C10 109.7(6) . .
C14 C15 H15A 109.7 . .
C10 C15 H15A 109.7 . .
C14 C15 H15B 109.7 . .
C10 C15 H15B 109.7 . .
H15A C15 H15B 108.2 . .
C21 C16 C17 108.9(6) . .
C21 C16 P1 113.8(4) . .
C17 C16 P1 116.7(5) . .
C21 C16 H16 105.5 . .
C17 C16 H16 105.5 . .
P1 C16 H16 105.5 . .
C18 C17 C16 111.0(6) . .
C18 C17 H17A 109.4 . .
C16 C17 H17A 109.4 . .
C18 C17 H17B 109.4 . .
C16 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
C19 C18 C17 111.3(7) . .
C19 C18 H18A 109.4 . .
C17 C18 H18A 109.4 . .
C19 C18 H18B 109.4 . .
C17 C18 H18B 109.4 . .
H18A C18 H18B 108.0 . .
C18 C19 C20 111.6(7) . .
C18 C19 H19A 109.3 . .
C20 C19 H19A 109.3 . .
C18 C19 H19B 109.3 . .
C20 C19 H19B 109.3 . .
H19A C19 H19B 108.0 . .
C21 C20 C19 110.3(6) . .
C21 C20 H20A 109.6 . .
C19 C20 H20A 109.6 . .
C21 C20 H20B 109.6 . .
C19 C20 H20B 109.6 . .
H20A C20 H20B 108.1 . .
C20 C21 C16 111.9(6) . .
C20 C21 H21A 109.2 . .
C16 C21 H21A 109.2 . .
C20 C21 H21B 109.2 . .
C16 C21 H21B 109.2 . .
H21A C21 H21B 107.9 . .
Cl1A C22 Cl1A 94.5(19) . 8_456
Cl1A C22 Cl1A 94.5(19) . 17_666
Cl1A C22 Cl1A 94.5(19) 8_456 17_666
Cl1A C22 Cl1B 68.4(19) . 17_666
Cl1A C22 Cl1B 119.9(17) 8_456 17_666
Cl1A C22 Cl1B 36.2(18) 17_666 17_666
Cl1A C22 Cl1B 36.2(18) . .
Cl1A C22 Cl1B 68.4(19) 8_456 .
Cl1A C22 Cl1B 119.9(17) 17_666 .
Cl1B C22 Cl1B 103.1(14) 17_666 .
Cl1A C22 Cl1B 119.9(17) . 8_456
Cl1A C22 Cl1B 36.2(18) 8_456 8_456
Cl1A C22 Cl1B 68.4(19) 17_666 8_456
Cl1B C22 Cl1B 103.1(14) 17_666 8_456
Cl1B C22 Cl1B 103.1(14) . 8_456
O23 O23 O23 114.9(6) 21_565 19_665
C4 P1 C10 101.4(3) . .
C4 P1 C16 103.2(3) . .
C10 P1 C16 102.5(3) . .
C4 P1 Ru1 113.5(2) . .
C10 P1 Ru1 113.4(2) . .
C16 P1 Ru1 120.6(2) . .
Cl1B Cl1A C22 74.2(16) . .
Cl1B Cl1A Cl1B 129(2) . 17_666
C22 Cl1A Cl1B 56.9(14) . 17_666
Cl1B Cl1A Cl1A 47(2) . 8_456
C22 Cl1A Cl1A 42.7(10) . 8_456
Cl1B Cl1A Cl1A 83.5(17) 17_666 8_456
Cl1B Cl1A Cl1A 106.4(19) . 17_666
C22 Cl1A Cl1A 42.7(10) . 17_666
Cl1B Cl1A Cl1A 23.9(18) 17_666 17_666
Cl1A Cl1A Cl1A 60.000(12) 8_456 17_666
Cl1A Cl1B C22 69.6(19) . .
Cl1A Cl1B Cl1A 109(3) . 8_456
C22 Cl1B Cl1A 54.7(10) . 8_456
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C2 1.876(7) .
Ru1 C1 1.924(7) .
Ru1 C3 1.931(7) .
Ru1 P1 2.4141(16) .
Ru1 Ru1 2.9396(8) 2
Ru1 Ru1 2.9396(8) 3
C1 O1 1.147(8) .
C2 O2 1.147(8) .
C3 O3 1.143(8) .
C4 C9 1.545(8) .
C4 C5 1.547(8) .
C4 P1 1.857(6) .
C4 H4 0.9900 .
C5 C6 1.536(9) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C6 C7 1.528(10) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C7 C8 1.532(10) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C8 C9 1.516(10) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C10 C11 1.536(9) .
C10 C15 1.542(9) .
C10 P1 1.859(6) .
C10 H10 0.9900 .
C11 C12 1.524(9) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 C13 1.531(11) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C13 C14 1.518(11) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C14 C15 1.535(9) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C16 C21 1.528(9) .
C16 C17 1.540(9) .
C16 P1 1.888(6) .
C16 H16 0.9900 .
C17 C18 1.536(10) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C18 C19 1.521(12) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C19 C20 1.530(11) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C20 C21 1.521(10) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C22 Cl1A 1.64(2) .
C22 Cl1A 1.64(2) 8_456
C22 Cl1A 1.64(2) 17_666
C22 Cl1B 1.68(2) 17_666
C22 Cl1B 1.68(2) .
C22 Cl1B 1.68(2) 8_456
O23 O23 1.403(10) 21_565
O23 O23 1.403(10) 19_665
Cl1A Cl1B 1.03(5) .
Cl1A Cl1B 1.87(4) 17_666
Cl1A Cl1A 2.41(5) 8_456
Cl1A Cl1A 2.41(5) 17_666
Cl1B Cl1A 1.87(4) 8_456
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
C2 Ru1 C1 O1 -45(5) . .
C3 Ru1 C1 O1 174(4) . .
P1 Ru1 C1 O1 53(5) . .
Ru1 Ru1 C1 O1 -136(5) 2 .
Ru1 Ru1 C1 O1 164(5) 3 .
C1 Ru1 C2 O2 -97(20) . .
C3 Ru1 C2 O2 80(20) . .
P1 Ru1 C2 O2 171(100) . .
Ru1 Ru1 C2 O2 -6(20) 2 .
Ru1 Ru1 C2 O2 -13(20) 3 .
C2 Ru1 C3 O3 44(5) . .
C1 Ru1 C3 O3 -175(4) . .
P1 Ru1 C3 O3 -54(5) . .
Ru1 Ru1 C3 O3 135(5) 2 .
Ru1 Ru1 C3 O3 -165(5) 3 .
C9 C4 C5 C6 59.6(7) . .
P1 C4 C5 C6 -167.6(5) . .
C4 C5 C6 C7 -56.8(8) . .
C5 C6 C7 C8 53.3(8) . .
C6 C7 C8 C9 -54.7(9) . .
C7 C8 C9 C4 59.3(8) . .
C5 C4 C9 C8 -61.0(7) . .
P1 C4 C9 C8 167.7(5) . .
C15 C10 C11 C12 58.3(7) . .
P1 C10 C11 C12 -171.7(5) . .
C10 C11 C12 C13 -56.7(8) . .
C11 C12 C13 C14 54.4(9) . .
C12 C13 C14 C15 -55.2(9) . .
C13 C14 C15 C10 56.9(8) . .
C11 C10 C15 C14 -57.5(7) . .
P1 C10 C15 C14 174.2(5) . .
C21 C16 C17 C18 -57.0(8) . .
P1 C16 C17 C18 172.6(5) . .
C16 C17 C18 C19 55.8(9) . .
C17 C18 C19 C20 -54.5(9) . .
C18 C19 C20 C21 55.0(10) . .
C19 C20 C21 C16 -57.8(9) . .
C17 C16 C21 C20 58.7(8) . .
P1 C16 C21 C20 -169.4(5) . .
C9 C4 P1 C10 -45.4(6) . .
C5 C4 P1 C10 -173.8(5) . .
C9 C4 P1 C16 60.4(5) . .
C5 C4 P1 C16 -67.9(5) . .
C9 C4 P1 Ru1 -167.4(4) . .
C5 C4 P1 Ru1 64.3(5) . .
C11 C10 P1 C4 -178.7(5) . .
C15 C10 P1 C4 -51.8(5) . .
C11 C10 P1 C16 74.8(5) . .
C15 C10 P1 C16 -158.3(5) . .
C11 C10 P1 Ru1 -56.7(5) . .
C15 C10 P1 Ru1 70.2(5) . .
C21 C16 P1 C4 151.6(5) . .
C17 C16 P1 C4 -80.4(6) . .
C21 C16 P1 C10 -103.4(5) . .
C17 C16 P1 C10 24.7(6) . .
C21 C16 P1 Ru1 23.6(6) . .
C17 C16 P1 Ru1 151.7(4) . .
C2 Ru1 P1 C4 93.3(3) . .
C1 Ru1 P1 C4 1.1(3) . .
C3 Ru1 P1 C4 -174.9(3) . .
Ru1 Ru1 P1 C4 -107.5(3) 2 .
Ru1 Ru1 P1 C4 -85.0(2) 3 .
C2 Ru1 P1 C10 -21.6(3) . .
C1 Ru1 P1 C10 -113.9(3) . .
C3 Ru1 P1 C10 70.1(3) . .
Ru1 Ru1 P1 C10 137.6(3) 2 .
Ru1 Ru1 P1 C10 160.1(2) 3 .
C2 Ru1 P1 C16 -143.5(3) . .
C1 Ru1 P1 C16 124.2(3) . .
C3 Ru1 P1 C16 -51.8(3) . .
Ru1 Ru1 P1 C16 15.7(4) 2 .
Ru1 Ru1 P1 C16 38.2(2) 3 .
Cl1A C22 Cl1A Cl1B -43(3) 8_456 .
Cl1A C22 Cl1A Cl1B -138(2) 17_666 .
Cl1B C22 Cl1A Cl1B -163(4) 17_666 .
Cl1B C22 Cl1A Cl1B -70(3) 8_456 .
Cl1A C22 Cl1A Cl1B 120.4(15) 8_456 17_666
Cl1A C22 Cl1A Cl1B 25(2) 17_666 17_666
Cl1B C22 Cl1A Cl1B 163(4) . 17_666
Cl1B C22 Cl1A Cl1B 93.1(19) 8_456 17_666
Cl1A C22 Cl1A Cl1A -95(2) 17_666 8_456
Cl1B C22 Cl1A Cl1A -120.4(15) 17_666 8_456
Cl1B C22 Cl1A Cl1A 43(3) . 8_456
Cl1B C22 Cl1A Cl1A -27.3(19) 8_456 8_456
Cl1A C22 Cl1A Cl1A 95(2) 8_456 17_666
Cl1B C22 Cl1A Cl1A -25(2) 17_666 17_666
Cl1B C22 Cl1A Cl1A 138(2) . 17_666
Cl1B C22 Cl1A Cl1A 68(3) 8_456 17_666
Cl1B Cl1A Cl1B C22 -18(4) 17_666 .
Cl1A Cl1A Cl1B C22 -39(3) 8_456 .
Cl1A Cl1A Cl1B C22 -28.5(12) 17_666 .
C22 Cl1A Cl1B Cl1A 39(3) . 8_456
Cl1B Cl1A Cl1B Cl1A 21(6) 17_666 8_456
Cl1A Cl1A Cl1B Cl1A 10(3) 17_666 8_456
Cl1A C22 Cl1B Cl1A 133(4) 8_456 .
Cl1A C22 Cl1B Cl1A 51(3) 17_666 .
Cl1B C22 Cl1B Cl1A 16(4) 17_666 .
Cl1B C22 Cl1B Cl1A 123(2) 8_456 .
Cl1A C22 Cl1B Cl1A -133(4) . 8_456
Cl1A C22 Cl1B Cl1A -83(3) 17_666 8_456
Cl1B C22 Cl1B Cl1A -117.2(16) 17_666 8_456
Cl1B C22 Cl1B Cl1A -10(2) 8_456 8_456
