#------------------------------------------------------------------------------
#$Date: 2016-02-21 02:03:34 +0200 (Sun, 21 Feb 2016) $
#$Revision: 176798 $
#$URL: svn://www.crystallography.net/cod/cif/2/23/68/2236806.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2236806
loop_
_publ_author_name
'Trujillo, Alexander'
'Fuentealba, Mauricio'
'Arratia-Perez, Ramiro'
'Howard, Judith A. K.'
_publ_section_title
;
 trans-Bis[1,2-bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)
;
_journal_coeditor_code           BG2483
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1445
_journal_paper_doi               10.1107/S1600536812044558
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (C2 H) Cl (C26 H24 P2)2]'
_chemical_formula_moiety         'C54 H49 Cl P4 Ru'
_chemical_formula_sum            'C54 H49 Cl P4 Ru'
_chemical_formula_weight         958.33
_chemical_name_systematic
;
trans-Bis[1,2-
bis(diphenylphosphanyl)ethane]chlorido(ethynyl)ruthenium(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 105.2553(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.92406(18)
_cell_length_b                   16.0826(2)
_cell_length_c                   13.2228(2)
_cell_measurement_reflns_used    13838
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      30.7461
_cell_measurement_theta_min      2.5282
_cell_volume                     2241.22(6)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_molecular_graphics
'OLEX2 (Dolomanov et al., 2009).'
_computing_publication_material
'OLEX2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      120.15
_diffrn_detector_area_resol_mean 16.1511
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.923
_diffrn_measurement_device_type  'Agilent Xcalibur (Sapphire3, Gemini ultra)'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            32289
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.81
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    0.590
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91150
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2011)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Polyhedron
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.475
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         6470
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0263P)²+1.1519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0717
_reflns_number_gt                5653
_reflns_number_total             6470
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bg2483.cif
_cod_data_source_block           I
_cod_database_code               2236806
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru1 0.0000 0.0000 0.0000 0.01370(5) Uani d S 1 2 . .
Cl Cl1 0.23554(13) 0.03894(6) 0.07756(9) 0.0164(2) Uani d P 0.50 1 A -1
P P1 -0.00132(4) 0.01938(2) 0.17791(3) 0.01557(8) Uani d . 1 1 A .
P P2 -0.03740(4) 0.14451(2) -0.00604(3) 0.01542(8) Uani d . 1 1 A .
C C1 -0.1785(5) -0.0277(2) -0.0475(3) 0.0159(7) Uani d P 0.50 1 A -1
C C2 -0.2870(5) -0.0472(3) -0.0780(4) 0.0182(10) Uani d P 0.50 1 A -1
H H2 -0.3736 -0.0629 -0.1024 0.022 Uiso calc PR 0.50 1 . .
C C3 -0.1320(5) -0.0010(3) 0.2384(4) 0.0177(7) Uani d PG 0.725(17) 1 A 1
C C4 -0.2548(5) -0.0110(3) 0.1755(4) 0.0240(9) Uani d PG 0.725(17) 1 A 1
H H4 -0.2709 -0.0086 0.1013 0.029 Uiso calc PR 0.725(17) 1 A 1
C C5 -0.3543(5) -0.0244(3) 0.2209(6) 0.0328(12) Uani d PG 0.725(17) 1 A 1
H H5 -0.4382 -0.0312 0.1779 0.039 Uiso calc PR 0.725(17) 1 A 1
C C6 -0.3308(6) -0.0280(3) 0.3294(6) 0.0332(12) Uani d PG 0.725(17) 1 A 1
H H6 -0.3988 -0.0372 0.3605 0.040 Uiso calc PR 0.725(17) 1 A 1
C C7 -0.2080(6) -0.0180(3) 0.3924(5) 0.0354(11) Uani d PG 0.725(17) 1 A 1
H H7 -0.1919 -0.0204 0.4665 0.042 Uiso calc PR 0.725(17) 1 A 1
C C8 -0.1085(5) -0.0046(4) 0.3469(4) 0.0276(9) Uani d PG 0.725(17) 1 A 1
H H8 -0.0246 0.0022 0.3899 0.033 Uiso calc PR 0.725(17) 1 A 1
C C3A -0.1411(13) -0.0092(11) 0.2247(11) 0.0177(7) Uani d P 0.275(17) 1 A 2
C C4A -0.2629(15) 0.0009(12) 0.1584(10) 0.0240(9) Uani d P 0.275(17) 1 A 2
H H4A -0.2741 0.0161 0.0871 0.029 Uiso calc PR 0.275(17) 1 A 2
C C5A -0.3695(12) -0.0117(11) 0.1984(12) 0.0328(12) Uani d P 0.275(17) 1 A 2
H H5A -0.4522 -0.0067 0.1525 0.039 Uiso calc PR 0.275(17) 1 A 2
C C6A -0.3573(14) -0.0301(10) 0.2973(13) 0.0332(12) Uani d P 0.275(17) 1 A 2
H H6A -0.4299 -0.0460 0.3194 0.040 Uiso calc PR 0.275(17) 1 A 2
C C7A -0.2455(16) -0.0268(9) 0.3665(11) 0.0354(11) Uani d P 0.275(17) 1 A 2
H H7A -0.2396 -0.0303 0.4394 0.042 Uiso calc PR 0.275(17) 1 A 2
C C8A -0.1349(13) -0.0181(11) 0.3314(11) 0.0276(9) Uani d P 0.275(17) 1 A 2
H H8A -0.0544 -0.0181 0.3812 0.033 Uiso calc PR 0.275(17) 1 A 2
C C9 0.13110(15) -0.02627(10) 0.27746(12) 0.0187(3) Uani d . 1 1 . .
C C10 0.12128(17) -0.10699(11) 0.31425(13) 0.0225(3) Uani d . 1 1 A .
H H10 0.0450 -0.1376 0.2886 0.027 Uiso calc R 1 1 . .
C C11 0.22226(19) -0.14261(12) 0.38806(14) 0.0302(4) Uani d . 1 1 . .
H H11 0.2148 -0.1974 0.4125 0.036 Uiso calc R 1 1 A .
C C12 0.33340(19) -0.09861(14) 0.42603(14) 0.0339(5) Uani d . 1 1 A .
H H12 0.4022 -0.1230 0.4766 0.041 Uiso calc R 1 1 . .
C C13 0.34422(18) -0.01890(13) 0.39024(15) 0.0300(4) Uani d . 1 1 . .
H H13 0.4207 0.0114 0.4163 0.036 Uiso calc R 1 1 A .
C C14 0.24357(16) 0.01729(12) 0.31609(14) 0.0241(4) Uani d . 1 1 A .
H H14 0.2519 0.0721 0.2918 0.029 Uiso calc R 1 1 . .
C C15 0.01206(16) 0.13281(10) 0.20793(12) 0.0195(3) Uani d . 1 1 . .
H H15A -0.0705 0.1533 0.2157 0.023 Uiso calc R 1 1 A .
H H15B 0.0760 0.1413 0.2757 0.023 Uiso calc R 1 1 . .
C C16 0.04975(16) 0.18398(10) 0.12365(12) 0.0190(3) Uani d . 1 1 A .
H H16A 0.1423 0.1793 0.1321 0.023 Uiso calc R 1 1 . .
H H16B 0.0289 0.2433 0.1304 0.023 Uiso calc R 1 1 . .
C C17 -0.19892(15) 0.18361(10) -0.02263(12) 0.0180(3) Uani d . 1 1 . .
C C18 -0.22999(17) 0.24080(11) 0.04617(14) 0.0257(4) Uani d . 1 1 A .
H H18 -0.1660 0.2599 0.1051 0.031 Uiso calc R 1 1 . .
C C19 -0.35332(19) 0.27016(13) 0.02957(15) 0.0326(4) Uani d . 1 1 . .
H H19 -0.3733 0.3085 0.0776 0.039 Uiso calc R 1 1 A .
C C20 -0.44647(18) 0.24394(13) -0.05609(16) 0.0329(4) Uani d . 1 1 A .
H H20 -0.5309 0.2637 -0.0671 0.039 Uiso calc R 1 1 . .
C C21 -0.41672(17) 0.18843(12) -0.12658(15) 0.0289(4) Uani d . 1 1 . .
H H21 -0.4806 0.1713 -0.1867 0.035 Uiso calc R 1 1 A .
C C22 -0.29422(16) 0.15783(10) -0.10961(13) 0.0225(3) Uani d . 1 1 A .
H H22 -0.2751 0.1191 -0.1575 0.027 Uiso calc R 1 1 . .
C C23 0.02017(15) 0.21231(10) -0.09510(12) 0.0180(3) Uani d . 1 1 . .
C C24 -0.05139(18) 0.27775(11) -0.14948(14) 0.0251(4) Uani d . 1 1 A .
H H24 -0.1326 0.2895 -0.1395 0.030 Uiso calc R 1 1 . .
C C25 -0.0045(2) 0.32590(12) -0.21821(16) 0.0337(4) Uani d . 1 1 . .
H H25 -0.0538 0.3706 -0.2547 0.040 Uiso calc R 1 1 A .
C C26 0.1133(2) 0.30913(12) -0.23390(16) 0.0318(4) Uani d . 1 1 A .
H H26 0.1447 0.3419 -0.2814 0.038 Uiso calc R 1 1 . .
C C27 0.18501(18) 0.24436(11) -0.18002(14) 0.0265(4) Uani d . 1 1 . .
H H27 0.2659 0.2326 -0.1908 0.032 Uiso calc R 1 1 A .
C C28 0.13984(16) 0.19629(10) -0.11019(13) 0.0214(3) Uani d . 1 1 A .
H H28 0.1904 0.1525 -0.0727 0.026 Uiso calc R 1 1 . .
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'
Cl Cl 0.1484 0.1585 '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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
P2 Ru1 P2 3 . 180.0
P2 Ru1 P1 3 . 98.156(13)
P2 Ru1 P1 . 3 98.157(13)
P2 Ru1 P1 3 3 81.844(13)
P2 Ru1 P1 . . 81.843(13)
P2 Ru1 Cl1 . 3 94.58(2)
P2 Ru1 Cl1 3 3 85.42(2)
P2 Ru1 Cl1 . . 85.42(2)
P2 Ru1 Cl1 3 . 94.58(2)
P1 Ru1 P1 3 . 179.999(19)
P1 Ru1 Cl1 . 3 99.20(3)
P1 Ru1 Cl1 3 . 99.20(3)
P1 Ru1 Cl1 . . 80.80(3)
P1 Ru1 Cl1 3 3 80.80(3)
Cl1 Ru1 Cl1 . 3 180.00(4)
C1 Ru1 P2 3 3 93.73(11)
C1 Ru1 P2 . 3 86.27(11)
C1 Ru1 P2 3 . 86.27(11)
C1 Ru1 P2 . . 93.73(11)
C1 Ru1 P1 . 3 85.22(11)
C1 Ru1 P1 3 . 85.22(11)
C1 Ru1 P1 . . 94.78(11)
C1 Ru1 P1 3 3 94.78(11)
C1 Ru1 Cl1 3 . 4.43(12)
C1 Ru1 Cl1 . . 175.57(12)
C1 Ru1 Cl1 3 3 175.57(12)
C1 Ru1 Cl1 . 3 4.43(12)
C1 Ru1 C1 3 . 180.0
C23 P2 Ru1 . . 121.50(5)
C23 P2 C16 . . 102.27(7)
C17 P2 Ru1 . . 119.70(5)
C17 P2 C23 . . 101.62(7)
C17 P2 C16 . . 103.83(7)
C16 P2 Ru1 . . 105.41(5)
C3 P1 Ru1 . . 127.91(17)
C3 P1 C15 . . 96.22(18)
C9 P1 Ru1 . . 116.67(5)
C9 P1 C3 . . 99.91(19)
C9 P1 C15 . . 103.66(8)
C9 P1 C3A . . 103.0(5)
C15 P1 Ru1 . . 108.57(5)
C3A P1 Ru1 . . 121.2(5)
C3A P1 C15 . . 101.4(6)
C2 Cl1 Ru1 3 . 158.0(5)
C2 Cl1 C1 3 3 145.2(7)
C4 C3 P1 . . 119.8(2)
C4 C3 C8 . . 120.0
C8 C3 P1 . . 120.2(2)
C3 C4 H4 . . 120.0
C5 C4 C3 . . 120.0
C5 C4 H4 . . 120.0
C4 C5 H5 . . 120.0
C4 C5 C6 . . 120.0
C6 C5 H5 . . 120.0
C5 C6 H6 . . 120.0
C7 C6 C5 . . 120.0
C7 C6 H6 . . 120.0
C6 C7 H7 . . 120.0
C6 C7 C8 . . 120.0
C8 C7 H7 . . 120.0
C3 C8 H8 . . 120.0
C7 C8 C3 . . 120.0
C7 C8 H8 . . 120.0
C28 C23 P2 . . 118.30(12)
C24 C23 P2 . . 122.70(13)
C24 C23 C28 . . 118.99(15)
C18 C17 P2 . . 122.66(13)
C22 C17 P2 . . 118.88(12)
C22 C17 C18 . . 118.41(15)
P2 C16 H16A . . 109.9
P2 C16 H16B . . 109.9
H16A C16 H16B . . 108.3
C15 C16 P2 . . 108.75(11)
C15 C16 H16A . . 109.9
C15 C16 H16B . . 109.9
C14 C9 P1 . . 121.07(13)
C14 C9 C10 . . 118.74(16)
C10 C9 P1 . . 120.17(13)
C9 C14 H14 . . 119.8
C9 C14 C13 . . 120.38(18)
C13 C14 H14 . . 119.8
C23 C28 H28 . . 120.0
C27 C28 C23 . . 120.07(16)
C27 C28 H28 . . 120.0
C17 C18 H18 . . 119.6
C19 C18 C17 . . 120.84(17)
C19 C18 H18 . . 119.6
P1 C15 H15A . . 108.9
P1 C15 H15B . . 108.9
C16 C15 P1 . . 113.15(11)
C16 C15 H15A . . 108.9
C16 C15 H15B . . 108.9
H15A C15 H15B . . 107.8
C9 C10 H10 . . 119.8
C11 C10 C9 . . 120.46(17)
C11 C10 H10 . . 119.8
C23 C24 H24 . . 119.8
C25 C24 C23 . . 120.36(16)
C25 C24 H24 . . 119.8
C14 C13 H13 . . 119.8
C12 C13 C14 . . 120.37(18)
C12 C13 H13 . . 119.8
C10 C11 H11 . . 119.9
C12 C11 C10 . . 120.24(18)
C12 C11 H11 . . 119.9
C22 C21 H21 . . 119.8
C22 C21 C20 . . 120.35(18)
C20 C21 H21 . . 119.8
C28 C27 H27 . . 119.7
C26 C27 C28 . . 120.58(17)
C26 C27 H27 . . 119.7
C17 C22 H22 . . 119.8
C21 C22 C17 . . 120.42(16)
C21 C22 H22 . . 119.8
C21 C20 H20 . . 120.1
C19 C20 C21 . . 119.78(17)
C19 C20 H20 . . 120.1
C13 C12 H12 . . 120.1
C11 C12 C13 . . 119.81(17)
C11 C12 H12 . . 120.1
C18 C19 H19 . . 119.9
C20 C19 C18 . . 120.18(18)
C20 C19 H19 . . 119.9
C24 C25 H25 . . 119.8
C26 C25 C24 . . 120.43(17)
C26 C25 H25 . . 119.8
C27 C26 H26 . . 120.2
C25 C26 C27 . . 119.56(17)
C25 C26 H26 . . 120.2
C2 C1 Ru1 . . 177.7(4)
Cl1 C2 H2 3 . 161.3
C1 C2 H2 . . 180.0
C4A C3A P1 . . 119.6(9)
C4A C3A C8A . . 115.4(8)
C8A C3A P1 . . 122.4(10)
C3A C4A H4A . . 120.3
C3A C4A C5A . . 119.3(10)
C5A C4A H4A . . 120.3
C4A C5A H5A . . 119.1
C6A C5A C4A . . 121.8(11)
C6A C5A H5A . . 119.1
C5A C6A H6A . . 119.5
C5A C6A C7A . . 121.0(9)
C7A C6A H6A . . 119.5
C6A C7A H7A . . 120.3
C6A C7A C8A . . 119.5(9)
C8A C7A H7A . . 120.3
C3A C8A C7A . . 121.5(10)
C3A C8A H8A . . 119.2
C7A C8A H8A . . 119.2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ru1 P2 . 2.3575(4)
Ru1 P2 3 2.3575(4)
Ru1 P1 3 2.3769(4)
Ru1 P1 . 2.3769(4)
Ru1 Cl1 3 2.5838(14)
Ru1 Cl1 . 2.5838(14)
Ru1 C1 . 1.936(5)
Ru1 C1 3 1.936(5)
P2 C23 . 1.8332(16)
P2 C17 . 1.8311(16)
P2 C16 . 1.8414(16)
P1 C3 . 1.840(3)
P1 C9 . 1.8337(16)
P1 C15 . 1.8644(16)
P1 C3A . 1.850(11)
Cl1 C1 3 0.670(4)
Cl1 C2 3 0.576(4)
C3 C4 . 1.3900
C3 C8 . 1.3900
C4 H4 . 0.9500
C4 C5 . 1.3900
C5 H5 . 0.9500
C5 C6 . 1.3900
C6 H6 . 0.9500
C6 C7 . 1.3900
C7 H7 . 0.9500
C7 C8 . 1.3900
C8 H8 . 0.9500
C23 C28 . 1.397(2)
C23 C24 . 1.393(2)
C17 C18 . 1.397(2)
C17 C22 . 1.396(2)
C16 H16A . 0.9900
C16 H16B . 0.9900
C16 C15 . 1.526(2)
C9 C14 . 1.390(2)
C9 C10 . 1.400(2)
C14 H14 . 0.9500
C14 C13 . 1.393(3)
C28 H28 . 0.9500
C28 C27 . 1.391(2)
C18 H18 . 0.9500
C18 C19 . 1.389(2)
C15 H15A . 0.9900
C15 H15B . 0.9900
C10 H10 . 0.9500
C10 C11 . 1.390(2)
C24 H24 . 0.9500
C24 C25 . 1.390(2)
C13 H13 . 0.9500
C13 C12 . 1.382(3)
C11 H11 . 0.9500
C11 C12 . 1.381(3)
C21 H21 . 0.9500
C21 C22 . 1.388(2)
C21 C20 . 1.390(3)
C27 H27 . 0.9500
C27 C26 . 1.383(3)
C22 H22 . 0.9500
C20 H20 . 0.9500
C20 C19 . 1.375(3)
C12 H12 . 0.9500
C19 H19 . 0.9500
C25 H25 . 0.9500
C25 C26 . 1.383(3)
C26 H26 . 0.9500
C1 Cl1 3 0.670(4)
C1 C2 . 1.190(5)
C2 Cl1 3 0.576(4)
C2 H2 . 0.9500
C3A C4A . 1.397(12)
C3A C8A . 1.402(11)
C4A H4A . 0.9500
C4A C5A . 1.415(11)
C5A H5A . 0.9500
C5A C6A . 1.312(17)
C6A H6A . 0.9500
C6A C7A . 1.320(15)
C7A H7A . 0.9500
C7A C8A . 1.410(13)
C8A H8A . 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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
Ru1 P2 C23 C28 . . -38.82(15)
Ru1 P2 C23 C24 . . 139.91(13)
Ru1 P2 C17 C18 . . 125.95(13)
Ru1 P2 C17 C22 . . -56.55(14)
Ru1 P2 C16 C15 . . -51.85(11)
Ru1 P1 C3 C4 . . -16.3(4)
Ru1 P1 C3 C8 . . 165.22(18)
Ru1 P1 C9 C14 . . 87.24(14)
Ru1 P1 C9 C10 . . -91.31(13)
Ru1 P1 C15 C16 . . -12.75(13)
Ru1 P1 C3A C4A . . -34.9(14)
Ru1 P1 C3A C8A . . 163.9(8)
P2 Ru1 P1 C3 . . 99.6(2)
P2 Ru1 P1 C3 3 . -80.4(2)
P2 Ru1 P1 C9 3 . 49.05(6)
P2 Ru1 P1 C9 . . -130.95(6)
P2 Ru1 P1 C15 . . -14.37(6)
P2 Ru1 P1 C15 3 . 165.63(6)
P2 Ru1 P1 C3A 3 . -77.8(7)
P2 Ru1 P1 C3A . . 102.2(7)
P2 Ru1 Cl1 C1 3 3 79.0(14)
P2 Ru1 Cl1 C1 . 3 -101.0(14)
P2 Ru1 Cl1 C2 3 3 89.1(15)
P2 Ru1 Cl1 C2 . 3 -90.9(15)
P2 Ru1 C1 Cl1 . 3 101.3(14)
P2 Ru1 C1 Cl1 3 3 -78.7(14)
P2 C23 C28 C27 . . 177.65(13)
P2 C23 C24 C25 . . -178.28(15)
P2 C17 C18 C19 . . 178.71(14)
P2 C17 C22 C21 . . -177.77(13)
P2 C16 C15 P1 . . 41.29(14)
P1 Ru1 P2 C23 3 . -30.89(6)
P1 Ru1 P2 C23 . . 149.11(6)
P1 Ru1 P2 C17 . . -82.46(6)
P1 Ru1 P2 C17 3 . 97.54(6)
P1 Ru1 P2 C16 3 . -146.19(6)
P1 Ru1 P2 C16 . . 33.81(6)
P1 Ru1 Cl1 C1 3 3 -3.5(14)
P1 Ru1 Cl1 C1 . 3 176.5(14)
P1 Ru1 Cl1 C2 3 3 6.6(15)
P1 Ru1 Cl1 C2 . 3 -173.4(15)
P1 Ru1 C1 Cl1 . 3 -176.6(14)
P1 Ru1 C1 Cl1 3 3 3.4(14)
P1 C3 C4 C5 . . -178.5(4)
P1 C3 C8 C7 . . 178.5(4)
P1 C9 C14 C13 . . -178.75(13)
P1 C9 C10 C11 . . 178.64(13)
P1 C3A C4A C5A . . -172.6(13)
P1 C3A C8A C7A . . 169.8(14)
Cl1 Ru1 P2 C23 3 . -112.23(7)
Cl1 Ru1 P2 C23 . . 67.77(7)
Cl1 Ru1 P2 C17 3 . 16.20(7)
Cl1 Ru1 P2 C17 . . -163.80(7)
Cl1 Ru1 P2 C16 3 . 132.47(6)
Cl1 Ru1 P2 C16 . . -47.53(6)
Cl1 Ru1 P1 C3 . . -173.7(2)
Cl1 Ru1 P1 C3 3 . 6.3(2)
Cl1 Ru1 P1 C9 . . -44.31(7)
Cl1 Ru1 P1 C9 3 . 135.69(7)
Cl1 Ru1 P1 C15 . . 72.28(6)
Cl1 Ru1 P1 C15 3 . -107.72(6)
Cl1 Ru1 P1 C3A . . -171.1(7)
Cl1 Ru1 P1 C3A 3 . 8.9(7)
C3 P1 C9 C14 . . -131.0(2)
C3 P1 C9 C10 . . 50.5(2)
C3 P1 C15 C16 . . -146.3(2)
C3 P1 C3A C4A . . 128(7)
C3 P1 C3A C8A . . -33(5)
C3 C4 C5 C6 . . 0.0
C4 C3 C8 C7 . . 0.0
C4 C5 C6 C7 . . 0.0
C5 C6 C7 C8 . . 0.0
C6 C7 C8 C3 . . 0.0
C8 C3 C4 C5 . . 0.0
C23 P2 C17 C18 . . -97.05(15)
C23 P2 C17 C22 . . 80.45(14)
C23 P2 C16 C15 . . -179.76(11)
C23 C28 C27 C26 . . 1.0(3)
C23 C24 C25 C26 . . 0.4(3)
C17 P2 C23 C28 . . -174.82(13)
C17 P2 C23 C24 . . 3.91(16)
C17 P2 C16 C15 . . 74.82(12)
C17 C18 C19 C20 . . -0.9(3)
C16 P2 C23 C28 . . 78.06(14)
C16 P2 C23 C24 . . -103.21(15)
C16 P2 C17 C18 . . 8.85(16)
C16 P2 C17 C22 . . -173.64(13)
C9 P1 C3 C4 . . -151.8(3)
C9 P1 C3 C8 . . 29.7(3)
C9 P1 C15 C16 . . 111.93(12)
C9 P1 C3A C4A . . -167.6(11)
C9 P1 C3A C8A . . 31.2(11)
C9 C14 C13 C12 . . 0.1(3)
C9 C10 C11 C12 . . 0.1(3)
C14 C9 C10 C11 . . 0.1(2)
C14 C13 C12 C11 . . 0.0(3)
C28 C23 C24 C25 . . 0.4(3)
C28 C27 C26 C25 . . -0.2(3)
C18 C17 C22 C21 . . -0.2(2)
C15 P1 C3 C4 . . 103.1(3)
C15 P1 C3 C8 . . -75.4(3)
C15 P1 C9 C14 . . -32.02(15)
C15 P1 C9 C10 . . 149.43(13)
C15 P1 C3A C4A . . 85.3(12)
C15 P1 C3A C8A . . -75.9(10)
C10 C9 C14 C13 . . -0.2(2)
C10 C11 C12 C13 . . -0.2(3)
C24 C23 C28 C27 . . -1.1(3)
C24 C25 C26 C27 . . -0.5(3)
C21 C20 C19 C18 . . -0.5(3)
C22 C17 C18 C19 . . 1.2(3)
C22 C21 C20 C19 . . 1.5(3)
C20 C21 C22 C17 . . -1.2(3)
C1 Ru1 P2 C23 . . -116.59(12)
C1 Ru1 P2 C23 3 . 63.41(12)
C1 Ru1 P2 C17 . . 11.84(12)
C1 Ru1 P2 C17 3 . -168.16(12)
C1 Ru1 P2 C16 3 . -51.89(12)
C1 Ru1 P2 C16 . . 128.11(12)
C1 Ru1 P1 C3 . . 6.5(3)
C1 Ru1 P1 C3 3 . -173.5(3)
C1 Ru1 P1 C9 . . 135.96(13)
C1 Ru1 P1 C9 3 . -44.04(13)
C1 Ru1 P1 C15 . . -107.46(12)
C1 Ru1 P1 C15 3 . 72.54(12)
C1 Ru1 P1 C3A 3 . -170.9(7)
C1 Ru1 P1 C3A . . 9.1(7)
C1 Ru1 Cl1 C2 3 3 10(2)
C3A P1 C3 C4 . . -35(6)
C3A P1 C3 C8 . . 147(6)
C3A P1 C9 C14 . . -137.4(6)
C3A P1 C9 C10 . . 44.1(6)
C3A P1 C15 C16 . . -141.5(5)
C3A C4A C5A C6A . . 2.2(13)
C4A C3A C8A C7A . . 7.8(14)
C4A C5A C6A C7A . . 9.1(17)
C5A C6A C7A C8A . . -11.4(18)
C6A C7A C8A C3A . . 2.7(15)
C8A C3A C4A C5A . . -10.1(13)
