#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/32/4073274.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_4073274
loop_
_publ_author_name
'Miyake, Yoshihiro'
'Nomaguchi, Yohei'
'Yuki, Masahiro'
'Nishibayashi, Yoshiaki'
_publ_section_title
;
 Synthesis and Reactivity of Diphosphine-Bridged Diruthenium Complexes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3611
_journal_paper_doi               10.1021/om070216a
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety         'C28 H54 Cl2 P4 Ru2 '
_chemical_formula_sum            'C28 H54 Cl2 P4 Ru2'
_chemical_formula_weight         787.68
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.4234(16)
_cell_angle_beta                 99.937(2)
_cell_angle_gamma                106.0421(11)
_cell_formula_units_Z            1
_cell_length_a                   8.3837(4)
_cell_length_b                   8.8397(4)
_cell_length_c                   12.2277(4)
_cell_measurement_reflns_used    3708
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     819.50(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7885
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.297
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.740
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             404.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.17
_refine_diff_density_min         -0.99
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     190
_refine_ls_number_reflns         3663
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0004Fo² + 1.0000σ(Fo²)]/(4Fo²)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                2739
_reflns_number_total             3665
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            om070216asi20070308_013450.cif
_cod_data_source_block           '_compound3_________________'
_cod_original_formula_sum        'C28 H54 Cl2 P4 Ru2 '
_cod_database_code               4073274
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru(1) Ru 0.15937(4) 0.19042(4) 0.20694(3) 0.01449(8) Uani 1.00 1 d .
Cl(1) Cl -0.09617(14) 0.27470(14) 0.16342(10) 0.0286(3) Uani 1.00 1 d .
P(1) P 0.20629(13) 0.20477(12) 0.03015(9) 0.0164(2) Uani 1.00 1 d .
P(2) P 0.00568(13) 0.08159(12) -0.13965(10) 0.0170(2) Uani 1.00 1 d .
C(1) C 0.2752(5) 0.1705(5) 0.3814(3) 0.0207(11) Uani 1.00 1 d .
C(2) C 0.1998(5) 0.2960(5) 0.3968(3) 0.0217(11) Uani 1.00 1 d .
C(3) C 0.2912(5) 0.4222(5) 0.3519(3) 0.0224(11) Uani 1.00 1 d .
C(4) C 0.4189(5) 0.3707(5) 0.3087(3) 0.0236(11) Uani 1.00 1 d .
C(5) C 0.4055(5) 0.2114(5) 0.3208(3) 0.0217(11) Uani 1.00 1 d .
C(6) C 0.2540(5) 0.0376(5) 0.4397(4) 0.0283(12) Uani 1.00 1 d .
C(7) C 0.0576(5) 0.3065(6) 0.4553(4) 0.0316(13) Uani 1.00 1 d .
C(8) C 0.2619(6) 0.5837(5) 0.3629(4) 0.0364(14) Uani 1.00 1 d .
C(9) C 0.5660(5) 0.4780(6) 0.2754(4) 0.0398(14) Uani 1.00 1 d .
C(10) C 0.5325(5) 0.1219(6) 0.3021(4) 0.0334(14) Uani 1.00 1 d .
C(11) C 0.3852(5) 0.1397(6) -0.0068(4) 0.0321(13) Uani 1.00 1 d .
C(12) C 0.2681(6) 0.4185(5) 0.0250(4) 0.0297(13) Uani 1.00 1 d .
C(13) C 0.1365(6) 0.1350(5) -0.2405(4) 0.0318(13) Uani 1.00 1 d .
C(14) C -0.1139(6) 0.2266(5) -0.1333(4) 0.0287(12) Uani 1.00 1 d .
H(1) H 0.1652 0.0387 0.4810 0.035 Uiso 1.00 1 c R
H(2) H 0.3613 0.0562 0.4942 0.035 Uiso 1.00 1 c R
H(3) H 0.2211 -0.0683 0.3812 0.035 Uiso 1.00 1 c R
H(4) H 0.0371 0.4100 0.4583 0.040 Uiso 1.00 1 c R
H(5) H 0.0903 0.3004 0.5338 0.040 Uiso 1.00 1 c R
H(6) H -0.0461 0.2156 0.4118 0.040 Uiso 1.00 1 c R
H(7) H 0.3393 0.6483 0.3276 0.040 Uiso 1.00 1 c R
H(8) H 0.2838 0.6424 0.4445 0.040 Uiso 1.00 1 c R
H(9) H 0.1443 0.5649 0.3234 0.040 Uiso 1.00 1 c R
H(10) H 0.6434 0.4178 0.2567 0.042 Uiso 1.00 1 c R
H(11) H 0.6278 0.5767 0.3399 0.042 Uiso 1.00 1 c R
H(12) H 0.5208 0.5082 0.2082 0.042 Uiso 1.00 1 c R
H(13) H 0.5026 0.0239 0.3274 0.043 Uiso 1.00 1 c R
H(14) H 0.6469 0.1937 0.3465 0.043 Uiso 1.00 1 c R
H(15) H 0.5304 0.0906 0.2202 0.043 Uiso 1.00 1 c R
H(16) H 0.4901 0.2336 0.0207 0.041 Uiso 1.00 1 c R
H(17) H 0.3612 0.0944 -0.0904 0.041 Uiso 1.00 1 c R
H(18) H 0.3986 0.0562 0.0300 0.041 Uiso 1.00 1 c R
H(19) H 0.1660 0.4439 -0.0031 0.036 Uiso 1.00 1 c R
H(20) H 0.3426 0.4324 -0.0271 0.036 Uiso 1.00 1 c R
H(21) H 0.3282 0.4923 0.1023 0.036 Uiso 1.00 1 c R
H(22) H 0.1328 0.2389 -0.2525 0.036 Uiso 1.00 1 c R
H(23) H 0.0912 0.0489 -0.3143 0.036 Uiso 1.00 1 c R
H(24) H 0.2543 0.1448 -0.2081 0.036 Uiso 1.00 1 c R
H(25) H -0.2056 0.1948 -0.0959 0.036 Uiso 1.00 1 c R
H(26) H -0.1622 0.2262 -0.2115 0.036 Uiso 1.00 1 c R
H(27) H -0.0366 0.3363 -0.0891 0.036 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
Ru Ru -1.259 0.836
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.148 0.159
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, 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_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
Cl(1) Ru(1) P(1) 89.77(4) yes . .
Cl(1) Ru(1) P(2) 91.15(3) yes . 2_555
Cl(1) Ru(1) C(1) 124.64(13) yes . .
Cl(1) Ru(1) C(2) 91.89(13) yes . .
Cl(1) Ru(1) C(3) 90.99(13) yes . .
Cl(1) Ru(1) C(4) 122.70(13) yes . .
Cl(1) Ru(1) C(5) 152.47(12) yes . .
P(1) Ru(1) P(2) 94.43(4) yes . 2_555
P(1) Ru(1) C(1) 144.53(12) yes . .
P(1) Ru(1) C(2) 152.67(11) yes . .
P(1) Ru(1) C(3) 114.75(13) yes . .
P(1) Ru(1) C(4) 94.36(12) yes . .
P(1) Ru(1) C(5) 107.67(13) yes . .
P(2) Ru(1) C(1) 93.27(10) yes 2_555 .
P(2) Ru(1) C(2) 112.80(11) yes 2_555 .
P(2) Ru(1) C(3) 150.75(13) yes 2_555 .
P(2) Ru(1) C(4) 144.98(13) yes 2_555 .
P(2) Ru(1) C(5) 108.03(12) yes 2_555 .
C(1) Ru(1) C(2) 36.83(18) yes . .
C(1) Ru(1) C(3) 62.02(16) yes . .
C(1) Ru(1) C(4) 61.49(16) yes . .
C(1) Ru(1) C(5) 37.45(17) yes . .
C(2) Ru(1) C(3) 37.97(17) yes . .
C(2) Ru(1) C(4) 62.13(16) yes . .
C(2) Ru(1) C(5) 62.82(17) yes . .
C(3) Ru(1) C(4) 36.74(17) yes . .
C(3) Ru(1) C(5) 62.60(17) yes . .
C(4) Ru(1) C(5) 37.25(18) yes . .
Ru(1) P(1) P(2) 124.22(5) yes . .
Ru(1) P(1) C(11) 115.61(18) yes . .
Ru(1) P(1) C(12) 111.00(17) yes . .
P(2) P(1) C(11) 100.60(14) yes . .
P(2) P(1) C(12) 99.77(15) yes . .
C(11) P(1) C(12) 102.6(2) yes . .
Ru(1) P(2) P(1) 125.96(6) yes 2_555 .
Ru(1) P(2) C(13) 110.37(14) yes 2_555 .
Ru(1) P(2) C(14) 115.07(13) yes 2_555 .
P(1) P(2) C(13) 99.75(13) yes . .
P(1) P(2) C(14) 100.14(13) yes . .
C(13) P(2) C(14) 102.3(2) yes . .
Ru(1) C(1) C(2) 70.3(2) yes . .
Ru(1) C(1) C(5) 69.8(2) yes . .
Ru(1) C(1) C(6) 135.8(2) yes . .
C(2) C(1) C(5) 108.5(4) yes . .
C(2) C(1) C(6) 126.4(4) yes . .
C(5) C(1) C(6) 123.8(4) yes . .
Ru(1) C(2) C(1) 72.9(2) yes . .
Ru(1) C(2) C(3) 71.2(2) yes . .
Ru(1) C(2) C(7) 124.1(2) yes . .
C(1) C(2) C(3) 107.6(4) yes . .
C(1) C(2) C(7) 127.7(4) yes . .
C(3) C(2) C(7) 124.6(4) yes . .
Ru(1) C(3) C(2) 70.8(2) yes . .
Ru(1) C(3) C(4) 72.5(2) yes . .
Ru(1) C(3) C(8) 126.9(3) yes . .
C(2) C(3) C(4) 107.7(4) yes . .
C(2) C(3) C(8) 124.1(4) yes . .
C(4) C(3) C(8) 127.9(4) yes . .
Ru(1) C(4) C(3) 70.7(2) yes . .
Ru(1) C(4) C(5) 70.1(2) yes . .
Ru(1) C(4) C(9) 133.4(3) yes . .
C(3) C(4) C(5) 108.9(4) yes . .
C(3) C(4) C(9) 125.5(4) yes . .
C(5) C(4) C(9) 124.7(4) yes . .
Ru(1) C(5) C(1) 72.7(2) yes . .
Ru(1) C(5) C(4) 72.6(2) yes . .
Ru(1) C(5) C(10) 131.6(2) yes . .
C(1) C(5) C(4) 107.1(4) yes . .
C(1) C(5) C(10) 125.0(4) yes . .
C(4) C(5) C(10) 126.2(4) yes . .
C(1) C(6) H(1) 109.4 no . .
C(1) C(6) H(2) 109.6 no . .
C(1) C(6) H(3) 109.1 no . .
H(1) C(6) H(2) 109.5 no . .
H(1) C(6) H(3) 109.5 no . .
H(2) C(6) H(3) 109.8 no . .
C(2) C(7) H(4) 109.9 no . .
C(2) C(7) H(5) 109.3 no . .
C(2) C(7) H(6) 109.2 no . .
H(4) C(7) H(5) 109.3 no . .
H(4) C(7) H(6) 109.5 no . .
H(5) C(7) H(6) 109.7 no . .
C(3) C(8) H(7) 109.0 no . .
C(3) C(8) H(8) 109.5 no . .
C(3) C(8) H(9) 109.5 no . .
H(7) C(8) H(8) 109.6 no . .
H(7) C(8) H(9) 109.5 no . .
H(8) C(8) H(9) 109.7 no . .
C(4) C(9) H(10) 109.7 no . .
C(4) C(9) H(11) 109.5 no . .
C(4) C(9) H(12) 109.2 no . .
H(10) C(9) H(11) 109.4 no . .
H(10) C(9) H(12) 109.5 no . .
H(11) C(9) H(12) 109.6 no . .
C(5) C(10) H(13) 109.6 no . .
C(5) C(10) H(14) 109.5 no . .
C(5) C(10) H(15) 109.6 no . .
H(13) C(10) H(14) 109.4 no . .
H(13) C(10) H(15) 109.5 no . .
H(14) C(10) H(15) 109.3 no . .
P(1) C(11) H(16) 109.6 no . .
P(1) C(11) H(17) 109.5 no . .
P(1) C(11) H(18) 109.3 no . .
H(16) C(11) H(17) 109.5 no . .
H(16) C(11) H(18) 109.5 no . .
H(17) C(11) H(18) 109.5 no . .
P(1) C(12) H(19) 109.4 no . .
P(1) C(12) H(20) 109.5 no . .
P(1) C(12) H(21) 109.4 no . .
H(19) C(12) H(20) 109.5 no . .
H(19) C(12) H(21) 109.5 no . .
H(20) C(12) H(21) 109.5 no . .
P(2) C(13) H(22) 109.8 no . .
P(2) C(13) H(23) 109.2 no . .
P(2) C(13) H(24) 109.5 no . .
H(22) C(13) H(23) 109.5 no . .
H(22) C(13) H(24) 109.5 no . .
H(23) C(13) H(24) 109.5 no . .
P(2) C(14) H(25) 109.7 no . .
P(2) C(14) H(26) 109.6 no . .
P(2) C(14) H(27) 109.2 no . .
H(25) C(14) H(26) 109.5 no . .
H(25) C(14) H(27) 109.5 no . .
H(26) C(14) H(27) 109.5 no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Ru(1) Cl(1) 2.4700(13) yes .
Ru(1) P(1) 2.2885(12) yes .
Ru(1) P(2) 2.2854(9) yes 2_555
Ru(1) C(1) 2.253(4) yes .
Ru(1) C(2) 2.219(4) yes .
Ru(1) C(3) 2.225(3) yes .
Ru(1) C(4) 2.248(3) yes .
Ru(1) C(5) 2.215(4) yes .
P(1) P(2) 2.2490(13) yes .
P(1) C(11) 1.837(5) yes .
P(1) C(12) 1.836(4) yes .
P(2) C(13) 1.844(5) yes .
P(2) C(14) 1.829(5) yes .
C(1) C(2) 1.413(7) yes .
C(1) C(5) 1.435(6) yes .
C(1) C(6) 1.496(7) yes .
C(2) C(3) 1.446(6) yes .
C(2) C(7) 1.506(7) yes .
C(3) C(4) 1.410(7) yes .
C(3) C(8) 1.494(7) yes .
C(4) C(5) 1.426(7) yes .
C(4) C(9) 1.514(6) yes .
C(5) C(10) 1.510(7) yes .
C(6) H(1) 0.970 no .
C(6) H(2) 0.970 no .
C(6) H(3) 0.970 no .
C(7) H(4) 0.970 no .
C(7) H(5) 0.970 no .
C(7) H(6) 0.970 no .
C(8) H(7) 0.970 no .
C(8) H(8) 0.970 no .
C(8) H(9) 0.970 no .
C(9) H(10) 0.970 no .
C(9) H(11) 0.970 no .
C(9) H(12) 0.970 no .
C(10) H(13) 0.970 no .
C(10) H(14) 0.970 no .
C(10) H(15) 0.970 no .
C(11) H(16) 0.970 no .
C(11) H(17) 0.970 no .
C(11) H(18) 0.970 no .
C(12) H(19) 0.970 no .
C(12) H(20) 0.970 no .
C(12) H(21) 0.970 no .
C(13) H(22) 0.970 no .
C(13) H(23) 0.970 no .
C(13) H(24) 0.970 no .
C(14) H(25) 0.970 no .
C(14) H(26) 0.970 no .
C(14) H(27) 0.970 no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
C(11) C(11) 3.540(8) 2_655
Cl(1) H(10) 3.064 1_455
Cl(1) H(14) 3.424 1_455
Cl(1) H(15) 3.375 1_455
Cl(1) H(16) 3.483 1_455
C(1) H(11) 3.431 2_666
C(2) H(11) 3.087 2_666
C(5) H(8) 3.245 2_666
C(6) H(2) 3.554 2_656
C(6) H(6) 3.488 2_556
C(6) H(8) 3.583 1_545
C(6) H(11) 3.580 2_666
C(6) H(13) 3.449 2_656
C(6) H(23) 3.503 1_556
C(7) H(1) 3.445 2_556
C(7) H(4) 2.861 2_566
C(7) H(8) 3.400 2_566
C(7) H(9) 3.562 2_566
C(7) H(11) 3.051 2_666
C(7) H(14) 3.244 1_455
C(8) H(3) 3.149 1_565
C(8) H(14) 3.473 2_666
C(8) H(26) 2.939 2_565
C(9) H(5) 3.165 2_666
C(9) H(20) 3.467 2_665
C(9) H(22) 3.130 2_665
C(10) H(2) 3.363 2_656
C(10) H(6) 3.346 1_655
C(10) H(8) 3.147 2_666
C(10) H(17) 3.253 2_655
C(10) H(24) 3.443 2_655
C(11) H(15) 3.229 2_655
C(11) H(17) 3.593 2_655
C(11) H(18) 2.837 2_655
C(12) H(16) 3.408 2_665
C(12) H(20) 3.157 2_665
C(12) H(25) 3.533 2_565
C(12) H(27) 3.337 2_565
C(13) H(1) 3.380 1_554
C(13) H(5) 3.423 1_554
C(13) H(11) 3.370 2_665
C(13) H(12) 3.518 2_665
C(14) H(7) 3.356 2_565
C(14) H(9) 3.303 2_565
C(14) H(19) 3.187 2_565
C(14) H(21) 3.436 2_565
H(1) C(7) 3.445 2_556
H(1) C(13) 3.380 1_556
H(1) H(1) 2.811 2_556
H(1) H(5) 3.110 2_556
H(1) H(6) 2.890 2_556
H(1) H(11) 3.367 2_666
H(1) H(13) 3.571 2_656
H(1) H(22) 3.423 1_556
H(1) H(23) 2.668 1_556
H(1) H(24) 3.587 1_556
H(2) C(6) 3.554 2_656
H(2) C(10) 3.363 2_656
H(2) H(2) 2.765 2_656
H(2) H(3) 3.531 2_656
H(2) H(6) 3.592 2_556
H(2) H(7) 3.117 2_666
H(2) H(8) 3.419 1_545
H(2) H(8) 3.231 2_666
H(2) H(11) 3.372 2_666
H(2) H(13) 2.621 2_656
H(2) H(14) 3.261 2_656
H(2) H(23) 3.526 1_556
H(3) C(8) 3.149 1_545
H(3) H(2) 3.531 2_656
H(3) H(5) 3.327 2_556
H(3) H(6) 3.466 2_556
H(3) H(7) 2.919 1_545
H(3) H(8) 2.989 1_545
H(3) H(9) 3.009 1_545
H(4) C(7) 2.861 2_566
H(4) H(4) 1.993 2_566
H(4) H(5) 3.022 2_566
H(4) H(6) 3.296 2_566
H(4) H(8) 3.088 2_566
H(4) H(9) 3.286 2_566
H(4) H(11) 3.360 2_666
H(4) H(14) 3.164 1_455
H(5) C(9) 3.165 2_666
H(5) C(13) 3.423 1_556
H(5) H(1) 3.110 2_556
H(5) H(3) 3.327 2_556
H(5) H(4) 3.022 2_566
H(5) H(8) 3.356 2_566
H(5) H(9) 3.138 2_566
H(5) H(10) 3.121 2_666
H(5) H(11) 2.386 2_666
H(5) H(22) 2.774 1_556
H(5) H(23) 3.211 1_556
H(6) C(6) 3.488 2_556
H(6) C(10) 3.346 1_455
H(6) H(1) 2.890 2_556
H(6) H(2) 3.592 2_556
H(6) H(3) 3.466 2_556
H(6) H(4) 3.296 2_566
H(6) H(8) 3.194 2_566
H(6) H(13) 3.542 1_455
H(6) H(14) 2.498 1_455
H(7) C(14) 3.356 2_565
H(7) H(2) 3.117 2_666
H(7) H(3) 2.919 1_565
H(7) H(13) 3.223 1_565
H(7) H(25) 3.576 2_565
H(7) H(26) 2.523 2_565
H(7) H(27) 3.575 2_565
H(8) C(5) 3.245 2_666
H(8) C(6) 3.583 1_565
H(8) C(7) 3.400 2_566
H(8) C(10) 3.147 2_666
H(8) H(2) 3.419 1_565
H(8) H(2) 3.231 2_666
H(8) H(3) 2.989 1_565
H(8) H(4) 3.088 2_566
H(8) H(5) 3.356 2_566
H(8) H(6) 3.194 2_566
H(8) H(13) 3.351 2_666
H(8) H(14) 2.504 2_666
H(8) H(26) 3.420 2_565
H(9) C(7) 3.562 2_566
H(9) C(14) 3.303 2_565
H(9) H(3) 3.009 1_565
H(9) H(4) 3.286 2_566
H(9) H(5) 3.138 2_566
H(9) H(22) 3.375 2_565
H(9) H(26) 2.530 2_565
H(9) H(27) 3.239 2_565
H(10) Cl(1) 3.064 1_655
H(10) H(5) 3.121 2_666
H(10) H(20) 3.377 2_665
H(10) H(22) 3.113 2_665
H(11) C(1) 3.431 2_666
H(11) C(2) 3.087 2_666
H(11) C(6) 3.580 2_666
H(11) C(7) 3.051 2_666
H(11) C(13) 3.370 2_665
H(11) H(1) 3.367 2_666
H(11) H(2) 3.372 2_666
H(11) H(4) 3.360 2_666
H(11) H(5) 2.386 2_666
H(11) H(22) 2.751 2_665
H(11) H(24) 3.269 2_665
H(12) C(13) 3.518 2_665
H(12) H(20) 2.753 2_665
H(12) H(22) 3.005 2_665
H(12) H(24) 3.126 2_665
H(13) C(6) 3.449 2_656
H(13) H(1) 3.571 2_656
H(13) H(2) 2.621 2_656
H(13) H(6) 3.542 1_655
H(13) H(7) 3.223 1_545
H(13) H(8) 3.351 2_666
H(13) H(17) 3.345 2_655
H(13) H(24) 3.194 2_655
H(14) Cl(1) 3.424 1_655
H(14) C(7) 3.244 1_655
H(14) C(8) 3.473 2_666
H(14) H(2) 3.261 2_656
H(14) H(4) 3.164 1_655
H(14) H(6) 2.498 1_655
H(14) H(8) 2.504 2_666
H(14) H(17) 3.525 2_655
H(14) H(23) 3.476 2_655
H(14) H(24) 3.465 2_655
H(15) Cl(1) 3.375 1_655
H(15) C(11) 3.229 2_655
H(15) H(16) 3.543 2_655
H(15) H(17) 2.477 2_655
H(15) H(18) 3.258 2_655
H(15) H(24) 3.105 2_655
H(16) Cl(1) 3.483 1_655
H(16) C(12) 3.408 2_665
H(16) H(15) 3.543 2_655
H(16) H(18) 2.933 2_655
H(16) H(19) 3.527 2_665
H(16) H(20) 2.873 2_665
H(16) H(21) 3.300 2_665
H(16) H(25) 3.189 1_655
H(17) C(10) 3.253 2_655
H(17) C(11) 3.593 2_655
H(17) H(13) 3.345 2_655
H(17) H(14) 3.525 2_655
H(17) H(15) 2.477 2_655
H(17) H(18) 2.792 2_655
H(17) H(25) 3.509 1_655
H(18) C(11) 2.837 2_655
H(18) H(15) 3.258 2_655
H(18) H(16) 2.933 2_655
H(18) H(17) 2.792 2_655
H(18) H(18) 2.333 2_655
H(19) C(14) 3.187 2_565
H(19) H(16) 3.527 2_665
H(19) H(19) 3.209 2_565
H(19) H(25) 3.042 2_565
H(19) H(26) 3.452 2_565
H(19) H(27) 2.605 2_565
H(20) C(9) 3.467 2_665
H(20) C(12) 3.157 2_665
H(20) H(10) 3.377 2_665
H(20) H(12) 2.753 2_665
H(20) H(16) 2.873 2_665
H(20) H(20) 2.473 2_665
H(20) H(21) 3.009 2_665
H(21) C(14) 3.436 2_565
H(21) H(16) 3.300 2_665
H(21) H(20) 3.009 2_665
H(21) H(25) 3.218 2_565
H(21) H(26) 3.305 2_565
H(21) H(27) 3.212 2_565
H(22) C(9) 3.130 2_665
H(22) H(1) 3.423 1_554
H(22) H(5) 2.774 1_554
H(22) H(9) 3.375 2_565
H(22) H(10) 3.113 2_665
H(22) H(11) 2.751 2_665
H(22) H(12) 3.005 2_665
H(23) C(6) 3.503 1_554
H(23) H(1) 2.668 1_554
H(23) H(2) 3.526 1_554
H(23) H(5) 3.211 1_554
H(23) H(14) 3.476 2_655
H(24) C(10) 3.443 2_655
H(24) H(1) 3.587 1_554
H(24) H(11) 3.269 2_665
H(24) H(12) 3.126 2_665
H(24) H(13) 3.194 2_655
H(24) H(14) 3.465 2_655
H(24) H(15) 3.105 2_655
H(25) C(12) 3.533 2_565
H(25) H(7) 3.576 2_565
H(25) H(16) 3.189 1_455
H(25) H(17) 3.509 1_455
H(25) H(19) 3.042 2_565
H(25) H(21) 3.218 2_565
H(26) C(8) 2.939 2_565
H(26) H(7) 2.523 2_565
H(26) H(8) 3.420 2_565
H(26) H(9) 2.530 2_565
H(26) H(19) 3.452 2_565
H(26) H(21) 3.305 2_565
H(27) C(12) 3.337 2_565
H(27) H(7) 3.575 2_565
H(27) H(9) 3.239 2_565
H(27) H(19) 2.605 2_565
H(27) H(21) 3.212 2_565
H(27) H(27) 3.021 2_565
Ru(1) Ru(1) 5.1513(4) 2_555
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_3
_geom_torsion_site_symmetry_4
Cl(1) Ru(1) P(1) P(2) -51.04(7) . . .
Cl(1) Ru(1) P(1) C(11) -175.98(15) . . .
Cl(1) Ru(1) P(1) C(12) 67.71(17) . . .
Cl(1) Ru(1) P(2) P(1) 48.71(7) . 2_555 2_555
Cl(1) Ru(1) P(2) C(13) -70.80(18) . 2_555 2_555
Cl(1) Ru(1) P(2) C(14) 174.12(19) . 2_555 2_555
Cl(1) Ru(1) C(1) C(2) -31.2(2) . . .
Cl(1) Ru(1) C(1) C(5) -150.5(2) . . .
Cl(1) Ru(1) C(1) C(6) 91.3(5) . . .
Cl(1) Ru(1) C(2) C(1) 154.8(2) . . .
Cl(1) Ru(1) C(2) C(3) -89.2(2) . . .
Cl(1) Ru(1) C(2) C(7) 30.4(4) . . .
Cl(1) Ru(1) C(3) C(2) 91.8(2) . . .
Cl(1) Ru(1) C(3) C(4) -151.7(2) . . .
Cl(1) Ru(1) C(3) C(8) -26.9(4) . . .
Cl(1) Ru(1) C(4) C(3) 34.3(3) . . .
Cl(1) Ru(1) C(4) C(5) 153.7(2) . . .
Cl(1) Ru(1) C(4) C(9) -86.8(5) . . .
Cl(1) Ru(1) C(5) C(1) 61.1(3) . . .
Cl(1) Ru(1) C(5) C(4) -53.7(4) . . .
Cl(1) Ru(1) C(5) C(10) -177.1(3) . . .
P(1) Ru(1) P(2) P(1) -41.15(8) . 2_555 2_555
P(1) Ru(1) P(2) C(13) -160.66(18) . 2_555 2_555
P(1) Ru(1) P(2) C(14) 84.26(19) . 2_555 2_555
P(2) Ru(1) P(1) P(2) 40.10(7) 2_555 . .
P(2) Ru(1) P(1) C(11) -84.84(15) 2_555 . .
P(2) Ru(1) P(1) C(12) 158.85(17) 2_555 . .
P(1) Ru(1) C(1) C(2) 132.8(2) . . .
P(1) Ru(1) C(1) C(5) 13.5(3) . . .
P(1) Ru(1) C(1) C(6) -104.7(4) . . .
C(1) Ru(1) P(1) P(2) 142.06(18) . . .
C(1) Ru(1) P(1) C(11) 17.1(2) . . .
C(1) Ru(1) P(1) C(12) -99.2(2) . . .
P(1) Ru(1) C(2) C(1) -112.1(3) . . .
P(1) Ru(1) C(2) C(3) 4.0(4) . . .
P(1) Ru(1) C(2) C(7) 123.6(3) . . .
C(2) Ru(1) P(1) P(2) -144.7(2) . . .
C(2) Ru(1) P(1) C(11) 90.4(3) . . .
C(2) Ru(1) P(1) C(12) -26.0(3) . . .
P(1) Ru(1) C(3) C(2) -178.0(2) . . .
P(1) Ru(1) C(3) C(4) -61.5(3) . . .
P(1) Ru(1) C(3) C(8) 63.3(4) . . .
C(3) Ru(1) P(1) P(2) -142.02(15) . . .
C(3) Ru(1) P(1) C(11) 93.0(2) . . .
C(3) Ru(1) P(1) C(12) -23.3(2) . . .
P(1) Ru(1) C(4) C(3) 126.9(2) . . .
P(1) Ru(1) C(4) C(5) -113.7(2) . . .
P(1) Ru(1) C(4) C(9) 5.7(5) . . .
C(4) Ru(1) P(1) P(2) -173.83(14) . . .
C(4) Ru(1) P(1) C(11) 61.2(2) . . .
C(4) Ru(1) P(1) C(12) -55.1(2) . . .
P(1) Ru(1) C(5) C(1) -171.8(2) . . .
P(1) Ru(1) C(5) C(4) 73.3(2) . . .
P(1) Ru(1) C(5) C(10) -50.1(4) . . .
C(5) Ru(1) P(1) P(2) 150.62(13) . . .
C(5) Ru(1) P(1) C(11) 25.68(19) . . .
C(5) Ru(1) P(1) C(12) -90.6(2) . . .
P(2) Ru(1) C(1) C(2) -124.8(2) 2_555 . .
P(2) Ru(1) C(1) C(5) 115.8(2) 2_555 . .
P(2) Ru(1) C(1) C(6) -2.4(5) 2_555 . .
C(1) Ru(1) P(2) P(1) 173.50(14) . 2_555 2_555
C(1) Ru(1) P(2) C(13) 54.0(2) . 2_555 2_555
C(1) Ru(1) P(2) C(14) -61.1(2) . 2_555 2_555
P(2) Ru(1) C(2) C(1) 62.7(2) 2_555 . .
P(2) Ru(1) C(2) C(3) 178.8(2) 2_555 . .
P(2) Ru(1) C(2) C(7) -61.6(4) 2_555 . .
C(2) Ru(1) P(2) P(1) 141.24(15) . 2_555 2_555
C(2) Ru(1) P(2) C(13) 21.7(2) . 2_555 2_555
C(2) Ru(1) P(2) C(14) -93.3(2) . 2_555 2_555
P(2) Ru(1) C(3) C(2) -2.3(4) 2_555 . .
P(2) Ru(1) C(3) C(4) 114.2(3) 2_555 . .
P(2) Ru(1) C(3) C(8) -121.1(4) 2_555 . .
C(3) Ru(1) P(2) P(1) 142.8(2) . 2_555 2_555
C(3) Ru(1) P(2) C(13) 23.3(3) . 2_555 2_555
C(3) Ru(1) P(2) C(14) -91.8(3) . 2_555 2_555
P(2) Ru(1) C(4) C(3) -129.0(2) 2_555 . .
P(2) Ru(1) C(4) C(5) -9.6(3) 2_555 . .
P(2) Ru(1) C(4) C(9) 109.8(5) 2_555 . .
C(4) Ru(1) P(2) P(1) -145.2(2) . 2_555 2_555
C(4) Ru(1) P(2) C(13) 95.2(2) . 2_555 2_555
C(4) Ru(1) P(2) C(14) -19.8(3) . 2_555 2_555
P(2) Ru(1) C(5) C(1) -71.0(2) 2_555 . .
P(2) Ru(1) C(5) C(4) 174.2(2) 2_555 . .
P(2) Ru(1) C(5) C(10) 50.8(4) 2_555 . .
C(5) Ru(1) P(2) P(1) -151.36(14) . 2_555 2_555
C(5) Ru(1) P(2) C(13) 89.1(2) . 2_555 2_555
C(5) Ru(1) P(2) C(14) -25.9(2) . 2_555 2_555
C(1) Ru(1) C(2) C(3) 116.0(3) . . .
C(1) Ru(1) C(2) C(7) -124.4(5) . . .
C(2) Ru(1) C(1) C(5) -119.4(3) . . .
C(2) Ru(1) C(1) C(6) 122.5(6) . . .
C(1) Ru(1) C(3) C(2) -37.6(2) . . .
C(1) Ru(1) C(3) C(4) 78.9(3) . . .
C(1) Ru(1) C(3) C(8) -156.3(4) . . .
C(3) Ru(1) C(1) C(2) 38.8(2) . . .
C(3) Ru(1) C(1) C(5) -80.6(2) . . .
C(3) Ru(1) C(1) C(6) 161.2(5) . . .
C(1) Ru(1) C(4) C(3) -80.5(3) . . .
C(1) Ru(1) C(4) C(5) 38.9(2) . . .
C(1) Ru(1) C(4) C(9) 158.4(5) . . .
C(4) Ru(1) C(1) C(2) 80.7(2) . . .
C(4) Ru(1) C(1) C(5) -38.7(2) . . .
C(4) Ru(1) C(1) C(6) -156.9(5) . . .
C(1) Ru(1) C(5) C(4) -114.8(3) . . .
C(1) Ru(1) C(5) C(10) 121.8(5) . . .
C(5) Ru(1) C(1) C(2) 119.4(3) . . .
C(5) Ru(1) C(1) C(6) -118.2(6) . . .
C(2) Ru(1) C(3) C(4) 116.5(4) . . .
C(2) Ru(1) C(3) C(8) -118.7(5) . . .
C(3) Ru(1) C(2) C(1) -116.0(3) . . .
C(3) Ru(1) C(2) C(7) 119.6(5) . . .
C(2) Ru(1) C(4) C(3) -38.5(2) . . .
C(2) Ru(1) C(4) C(5) 80.9(3) . . .
C(2) Ru(1) C(4) C(9) -159.6(5) . . .
C(4) Ru(1) C(2) C(1) -78.8(2) . . .
C(4) Ru(1) C(2) C(3) 37.3(2) . . .
C(4) Ru(1) C(2) C(7) 156.8(4) . . .
C(2) Ru(1) C(5) C(1) 36.0(2) . . .
C(2) Ru(1) C(5) C(4) -78.9(2) . . .
C(2) Ru(1) C(5) C(10) 157.8(5) . . .
C(5) Ru(1) C(2) C(1) -36.6(2) . . .
C(5) Ru(1) C(2) C(3) 79.5(2) . . .
C(5) Ru(1) C(2) C(7) -160.9(4) . . .
C(3) Ru(1) C(4) C(5) 119.4(4) . . .
C(3) Ru(1) C(4) C(9) -121.1(6) . . .
C(4) Ru(1) C(3) C(2) -116.5(4) . . .
C(4) Ru(1) C(3) C(8) 124.7(5) . . .
C(3) Ru(1) C(5) C(1) 78.9(2) . . .
C(3) Ru(1) C(5) C(4) -35.9(2) . . .
C(3) Ru(1) C(5) C(10) -159.3(5) . . .
C(5) Ru(1) C(3) C(2) -80.1(3) . . .
C(5) Ru(1) C(3) C(4) 36.4(2) . . .
C(5) Ru(1) C(3) C(8) 161.2(5) . . .
C(4) Ru(1) C(5) C(1) 114.8(3) . . .
C(4) Ru(1) C(5) C(10) -123.4(5) . . .
C(5) Ru(1) C(4) C(3) -119.4(4) . . .
C(5) Ru(1) C(4) C(9) 119.5(6) . . .
Ru(1) P(1) P(2) Ru(1) -52.51(10) . . 2_555
Ru(1) P(1) P(2) C(13) -176.63(18) . . .
Ru(1) P(1) P(2) C(14) 78.91(18) . . .
C(11) P(1) P(2) Ru(1) 78.72(19) . . 2_555
C(11) P(1) P(2) C(13) -45.4(2) . . .
C(11) P(1) P(2) C(14) -149.9(2) . . .
C(12) P(1) P(2) Ru(1) -176.35(18) . . 2_555
C(12) P(1) P(2) C(13) 59.5(2) . . .
C(12) P(1) P(2) C(14) -44.9(2) . . .
Ru(1) C(1) C(2) C(3) -63.2(2) . . .
Ru(1) C(1) C(2) C(7) 120.2(3) . . .
Ru(1) C(1) C(5) C(4) 65.0(2) . . .
Ru(1) C(1) C(5) C(10) -129.1(3) . . .
C(2) C(1) C(5) Ru(1) -59.9(2) . . .
C(2) C(1) C(5) C(4) 5.1(4) . . .
C(2) C(1) C(5) C(10) 171.0(3) . . .
C(5) C(1) C(2) Ru(1) 59.6(2) . . .
C(5) C(1) C(2) C(3) -3.6(4) . . .
C(5) C(1) C(2) C(7) 179.8(3) . . .
C(6) C(1) C(2) Ru(1) -133.0(3) . . .
C(6) C(1) C(2) C(3) 163.8(3) . . .
C(6) C(1) C(2) C(7) -12.8(6) . . .
C(6) C(1) C(5) Ru(1) 132.4(3) . . .
C(6) C(1) C(5) C(4) -162.7(3) . . .
C(6) C(1) C(5) C(10) 3.3(5) . . .
Ru(1) C(2) C(3) C(4) -63.6(2) . . .
Ru(1) C(2) C(3) C(8) 122.1(3) . . .
C(1) C(2) C(3) Ru(1) 64.3(2) . . .
C(1) C(2) C(3) C(4) 0.7(4) . . .
C(1) C(2) C(3) C(8) -173.6(3) . . .
C(7) C(2) C(3) Ru(1) -119.0(3) . . .
C(7) C(2) C(3) C(4) 177.4(3) . . .
C(7) C(2) C(3) C(8) 3.1(6) . . .
Ru(1) C(3) C(4) C(5) -60.0(2) . . .
Ru(1) C(3) C(4) C(9) 130.2(4) . . .
C(2) C(3) C(4) Ru(1) 62.5(2) . . .
C(2) C(3) C(4) C(5) 2.5(4) . . .
C(2) C(3) C(4) C(9) -167.3(3) . . .
C(8) C(3) C(4) Ru(1) -123.5(4) . . .
C(8) C(3) C(4) C(5) 176.5(3) . . .
C(8) C(3) C(4) C(9) 6.7(6) . . .
Ru(1) C(4) C(5) C(1) -65.0(2) . . .
Ru(1) C(4) C(5) C(10) 129.3(4) . . .
C(3) C(4) C(5) Ru(1) 60.4(2) . . .
C(3) C(4) C(5) C(1) -4.7(4) . . .
C(3) C(4) C(5) C(10) -170.4(3) . . .
C(9) C(4) C(5) Ru(1) -129.7(4) . . .
C(9) C(4) C(5) C(1) 165.3(3) . . .
C(9) C(4) C(5) C(10) -0.4(6) . . .
