#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:25:54 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178715 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/26/4082613.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_4082613
loop_
_publ_author_name
'Gowrisankar, Saravanan'
'Neumann, Helfried'
'Spannenberg, Anke'
'Beller, Matthias'
_publ_section_title
;
 Selective Hydrogenation of Ruthenium Acylphosphine Complexes
;
_journal_issue                   1
_journal_name_full               Organometallics
_journal_page_first              94
_journal_paper_doi               10.1021/om4008086
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C30 H41 Cl2 O P Ru'
_chemical_formula_weight         620.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.781(1)
_cell_angle_beta                 106.513(1)
_cell_angle_gamma                96.699(1)
_cell_formula_units_Z            2
_cell_length_a                   9.4204(1)
_cell_length_b                   10.1326(2)
_cell_length_c                   16.0790(3)
_cell_measurement_reflns_used    9975
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.74
_cell_measurement_theta_min      2.33
_cell_volume                     1456.06(4)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2011)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Kappa APEX II Duo'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'curved graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27297
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6687
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker AXS)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.675
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     347
_refine_ls_number_reflns         6670
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0255
_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)+(0.0410P)²+0.9014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0753
_reflns_number_gt                5917
_reflns_number_total             6670
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om4008086_si_002.cif
_cod_data_source_block           ax0089
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4082613
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
_atom_site_disorder_assembly
_atom_site_disorder_group
C32 C 0.9287(11) 0.7878(16) 0.3935(9) 0.100(4) Uiso 0.40 1 d PD A 2
O3A O 1.0450(10) 0.7606(10) 0.3563(6) 0.047(3) Uiso 0.247(6) 1 d PD A 2
O3B O 0.8083(15) 0.7211(14) 0.3223(9) 0.054(5) Uiso 0.153(6) 1 d PD A 2
O1 O 0.9948(12) 0.8081(8) 0.3368(5) 0.060(2) Uani 0.30 1 d P B 1
C30 C 0.9506(10) 0.8760(11) 0.4071(7) 0.043(2) Uani 0.30 1 d P B 1
O2 O 1.0804(8) 0.6047(6) 0.4221(5) 0.0532(19) Uani 0.30 1 d P . .
C31 C 1.0147(11) 0.5441(12) 0.4808(8) 0.060(3) Uani 0.30 1 d P . .
C1 C 0.7211(2) 0.1580(2) 0.30324(13) 0.0210(4) Uani 1 1 d . . .
H1A H 0.7649 0.2445 0.3373 0.025 Uiso 1 1 calc R . .
H1B H 0.7462 0.0870 0.3430 0.025 Uiso 1 1 calc R . .
C2 C 0.7950(2) 0.1417(2) 0.23257(13) 0.0225(4) Uani 1 1 d . . .
C3 C 0.8128(2) 0.0162(2) 0.20326(15) 0.0285(5) Uani 1 1 d . . .
H3 H 0.7841 -0.0589 0.2308 0.034 Uiso 1 1 calc R . .
C4 C 0.8724(3) -0.0029(2) 0.13358(16) 0.0343(5) Uani 1 1 d . . .
H4 H 0.8840 -0.0905 0.1151 0.041 Uiso 1 1 calc R . .
C5 C 0.9137(2) 0.1022(3) 0.09238(15) 0.0333(5) Uani 1 1 d . . .
H5 H 0.9493 0.0873 0.0435 0.040 Uiso 1 1 calc R . .
C6 C 0.9041(2) 0.2331(2) 0.12163(14) 0.0265(5) Uani 1 1 d . . .
C7 C 0.8478(2) 0.2547(2) 0.19403(13) 0.0219(4) Uani 1 1 d . . .
C8 C 0.8482(2) 0.3885(2) 0.22516(14) 0.0254(4) Uani 1 1 d . . .
H8 H 0.8128 0.4053 0.2739 0.030 Uiso 1 1 calc R . .
C9 C 0.8989(3) 0.4934(2) 0.18588(16) 0.0319(5) Uani 1 1 d . . .
H9 H 0.8994 0.5822 0.2080 0.038 Uiso 1 1 calc R . .
C10 C 0.9500(3) 0.4711(3) 0.11329(16) 0.0351(5) Uani 1 1 d . . .
H10 H 0.9823 0.5446 0.0856 0.042 Uiso 1 1 calc R . .
C11 C 0.9533(2) 0.3448(3) 0.08253(15) 0.0330(5) Uani 1 1 d . . .
H11 H 0.9894 0.3311 0.0338 0.040 Uiso 1 1 calc R . .
C12 C 0.4805(2) 0.24495(19) 0.16747(12) 0.0185(4) Uani 1 1 d . . .
H12 H 0.5681 0.3165 0.1800 0.022 Uiso 1 1 calc R . .
C13 C 0.4814(2) 0.1662(2) 0.08329(13) 0.0224(4) Uani 1 1 d . . .
H13A H 0.5704 0.1189 0.0950 0.027 Uiso 1 1 calc R . .
H13B H 0.3912 0.0987 0.0633 0.027 Uiso 1 1 calc R . .
C14 C 0.4841(3) 0.2607(2) 0.01223(14) 0.0282(5) Uani 1 1 d . . .
H14A H 0.4797 0.2082 -0.0422 0.034 Uiso 1 1 calc R . .
H14B H 0.5792 0.3223 0.0301 0.034 Uiso 1 1 calc R . .
C15 C 0.3529(3) 0.3417(2) -0.00474(14) 0.0278(5) Uani 1 1 d . . .
H15A H 0.3632 0.4074 -0.0470 0.033 Uiso 1 1 calc R . .
H15B H 0.2583 0.2813 -0.0306 0.033 Uiso 1 1 calc R . .
C16 C 0.3472(2) 0.4145(2) 0.07892(13) 0.0244(4) Uani 1 1 d . . .
H16A H 0.2570 0.4602 0.0666 0.029 Uiso 1 1 calc R . .
H16B H 0.4358 0.4834 0.1004 0.029 Uiso 1 1 calc R . .
C17 C 0.3436(2) 0.3196(2) 0.14960(13) 0.0213(4) Uani 1 1 d . . .
H17A H 0.2511 0.2548 0.1304 0.026 Uiso 1 1 calc R . .
H17B H 0.3438 0.3708 0.2037 0.026 Uiso 1 1 calc R . .
C18 C 0.4466(2) -0.02471(19) 0.22789(12) 0.0188(4) Uani 1 1 d . . .
H18 H 0.4971 -0.0476 0.1832 0.023 Uiso 1 1 calc R . .
C19 C 0.2774(2) -0.0520(2) 0.18276(13) 0.0217(4) Uani 1 1 d . . .
H19A H 0.2232 -0.0303 0.2250 0.026 Uiso 1 1 calc R . .
H19B H 0.2511 0.0066 0.1347 0.026 Uiso 1 1 calc R . .
C20 C 0.2283(2) -0.1975(2) 0.14644(14) 0.0262(4) Uani 1 1 d . . .
H20A H 0.1184 -0.2128 0.1209 0.031 Uiso 1 1 calc R . .
H20B H 0.2741 -0.2165 0.0996 0.031 Uiso 1 1 calc R . .
C21 C 0.2745(3) -0.2915(2) 0.21742(16) 0.0341(5) Uani 1 1 d . . .
H21A H 0.2198 -0.2797 0.2609 0.041 Uiso 1 1 calc R . .
H21B H 0.2475 -0.3850 0.1915 0.041 Uiso 1 1 calc R . .
C22 C 0.4411(3) -0.2644(2) 0.26199(16) 0.0353(6) Uani 1 1 d . . .
H22A H 0.4954 -0.2844 0.2195 0.042 Uiso 1 1 calc R . .
H22B H 0.4677 -0.3241 0.3093 0.042 Uiso 1 1 calc R . .
C23 C 0.4897(2) -0.1195(2) 0.29981(14) 0.0250(4) Uani 1 1 d . . .
H23A H 0.5992 -0.1044 0.3271 0.030 Uiso 1 1 calc R . .
H23B H 0.4410 -0.1009 0.3454 0.030 Uiso 1 1 calc R . .
C24 C 0.3362(3) 0.2882(2) 0.48985(14) 0.0288(5) Uani 1 1 d . . .
H24 H 0.3817 0.3167 0.5497 0.035 Uiso 1 1 calc R . .
C25 C 0.2972(2) 0.3813(2) 0.42994(15) 0.0279(5) Uani 1 1 d . . .
H25 H 0.3160 0.4737 0.4487 0.034 Uiso 1 1 calc R . .
C26 C 0.2293(2) 0.3387(2) 0.34047(14) 0.0268(4) Uani 1 1 d . . .
H26 H 0.2063 0.4026 0.2991 0.032 Uiso 1 1 calc R . .
C27 C 0.1961(2) 0.2016(2) 0.31320(14) 0.0252(4) Uani 1 1 d . . .
H27 H 0.1480 0.1731 0.2536 0.030 Uiso 1 1 calc R . .
C28 C 0.2341(2) 0.1058(2) 0.37451(14) 0.0259(4) Uani 1 1 d . . .
H28 H 0.2098 0.0132 0.3566 0.031 Uiso 1 1 calc R . .
C29 C 0.3079(3) 0.1497(2) 0.46158(14) 0.0275(5) Uani 1 1 d . . .
H29 H 0.3395 0.0865 0.5023 0.033 Uiso 1 1 calc R . .
Cl1 Cl 0.65253(6) 0.18466(6) 0.48518(3) 0.03207(13) Uani 1 1 d . . .
Cl2 Cl 0.59146(6) 0.43876(5) 0.36056(3) 0.02494(11) Uani 1 1 d . . .
P1 P 0.51386(5) 0.15200(5) 0.26701(3) 0.01656(10) Uani 1 1 d . . .
Ru1 Ru 0.434221(17) 0.246847(15) 0.381460(10) 0.01769(6) 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'
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'
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
O3A C32 O3B 95.4(12) .
C31 C31 O2 154.2(16) 2_766
C2 C1 P1 116.33(14) .
C2 C1 H1A 108.2 .
P1 C1 H1A 108.2 .
C2 C1 H1B 108.2 .
P1 C1 H1B 108.2 .
H1A C1 H1B 107.4 .
C3 C2 C7 118.5(2) .
C3 C2 C1 120.1(2) .
C7 C2 C1 121.32(18) .
C2 C3 C4 121.5(2) .
C2 C3 H3 119.3 .
C4 C3 H3 119.3 .
C5 C4 C3 120.7(2) .
C5 C4 H4 119.6 .
C3 C4 H4 119.6 .
C4 C5 C6 120.4(2) .
C4 C5 H5 119.8 .
C6 C5 H5 119.8 .
C5 C6 C11 121.5(2) .
C5 C6 C7 119.5(2) .
C11 C6 C7 118.9(2) .
C8 C7 C6 118.0(2) .
C8 C7 C2 122.93(19) .
C6 C7 C2 119.05(19) .
C9 C8 C7 120.9(2) .
C9 C8 H8 119.5 .
C7 C8 H8 119.5 .
C8 C9 C10 120.6(2) .
C8 C9 H9 119.7 .
C10 C9 H9 119.7 .
C11 C10 C9 120.2(2) .
C11 C10 H10 119.9 .
C9 C10 H10 119.9 .
C10 C11 C6 121.4(2) .
C10 C11 H11 119.3 .
C6 C11 H11 119.3 .
C17 C12 C13 109.87(16) .
C17 C12 P1 114.95(14) .
C13 C12 P1 116.12(13) .
C17 C12 H12 104.9 .
C13 C12 H12 104.9 .
P1 C12 H12 104.9 .
C14 C13 C12 110.25(17) .
C14 C13 H13A 109.6 .
C12 C13 H13A 109.6 .
C14 C13 H13B 109.6 .
C12 C13 H13B 109.6 .
H13A C13 H13B 108.1 .
C13 C14 C15 111.55(18) .
C13 C14 H14A 109.3 .
C15 C14 H14A 109.3 .
C13 C14 H14B 109.3 .
C15 C14 H14B 109.3 .
H14A C14 H14B 108.0 .
C16 C15 C14 111.21(17) .
C16 C15 H15A 109.4 .
C14 C15 H15A 109.4 .
C16 C15 H15B 109.4 .
C14 C15 H15B 109.4 .
H15A C15 H15B 108.0 .
C15 C16 C17 111.98(18) .
C15 C16 H16A 109.2 .
C17 C16 H16A 109.2 .
C15 C16 H16B 109.2 .
C17 C16 H16B 109.2 .
H16A C16 H16B 107.9 .
C16 C17 C12 109.78(17) .
C16 C17 H17A 109.7 .
C12 C17 H17A 109.7 .
C16 C17 H17B 109.7 .
C12 C17 H17B 109.7 .
H17A C17 H17B 108.2 .
C23 C18 C19 109.74(17) .
C23 C18 P1 112.88(13) .
C19 C18 P1 113.27(13) .
C23 C18 H18 106.8 .
C19 C18 H18 106.8 .
P1 C18 H18 106.8 .
C20 C19 C18 111.48(16) .
C20 C19 H19A 109.3 .
C18 C19 H19A 109.3 .
C20 C19 H19B 109.3 .
C18 C19 H19B 109.3 .
H19A C19 H19B 108.0 .
C21 C20 C19 111.12(17) .
C21 C20 H20A 109.4 .
C19 C20 H20A 109.4 .
C21 C20 H20B 109.4 .
C19 C20 H20B 109.4 .
H20A C20 H20B 108.0 .
C22 C21 C20 110.8(2) .
C22 C21 H21A 109.5 .
C20 C21 H21A 109.5 .
C22 C21 H21B 109.5 .
C20 C21 H21B 109.5 .
H21A C21 H21B 108.1 .
C21 C22 C23 111.57(19) .
C21 C22 H22A 109.3 .
C23 C22 H22A 109.3 .
C21 C22 H22B 109.3 .
C23 C22 H22B 109.3 .
H22A C22 H22B 108.0 .
C22 C23 C18 110.32(17) .
C22 C23 H23A 109.6 .
C18 C23 H23A 109.6 .
C22 C23 H23B 109.6 .
C18 C23 H23B 109.6 .
H23A C23 H23B 108.1 .
C25 C24 C29 119.9(2) .
C25 C24 Ru1 72.02(13) .
C29 C24 Ru1 69.19(12) .
C25 C24 H24 120.1 .
C29 C24 H24 120.1 .
Ru1 C24 H24 131.5 .
C24 C25 C26 120.0(2) .
C24 C25 Ru1 71.88(13) .
C26 C25 Ru1 69.34(12) .
C24 C25 H25 120.0 .
C26 C25 H25 120.0 .
Ru1 C25 H25 131.6 .
C27 C26 C25 119.9(2) .
C27 C26 Ru1 71.01(12) .
C25 C26 Ru1 73.23(12) .
C27 C26 H26 120.0 .
C25 C26 H26 120.0 .
Ru1 C26 H26 127.8 .
C26 C27 C28 120.2(2) .
C26 C27 Ru1 71.41(12) .
C28 C27 Ru1 71.84(12) .
C26 C27 H27 119.9 .
C28 C27 H27 119.9 .
Ru1 C27 H27 129.2 .
C29 C28 C27 119.1(2) .
C29 C28 Ru1 70.69(13) .
C27 C28 Ru1 70.36(12) .
C29 C28 H28 120.5 .
C27 C28 H28 120.5 .
Ru1 C28 H28 131.1 .
C28 C29 C24 120.7(2) .
C28 C29 Ru1 72.11(13) .
C24 C29 Ru1 73.24(13) .
C28 C29 H29 119.6 .
C24 C29 H29 119.6 .
Ru1 C29 H29 127.0 .
C18 P1 C12 105.71(9) .
C18 P1 C1 103.33(9) .
C12 P1 C1 103.03(9) .
C18 P1 Ru1 118.64(7) .
C12 P1 Ru1 114.98(6) .
C1 P1 Ru1 109.47(7) .
C27 Ru1 C29 67.64(8) .
C27 Ru1 C26 37.58(8) .
C29 Ru1 C26 79.94(9) .
C27 Ru1 C28 37.80(8) .
C29 Ru1 C28 37.20(8) .
C26 Ru1 C28 67.90(8) .
C27 Ru1 C24 79.23(8) .
C29 Ru1 C24 37.57(8) .
C26 Ru1 C24 66.68(8) .
C28 Ru1 C24 67.12(8) .
C27 Ru1 C25 67.26(8) .
C29 Ru1 C25 66.75(9) .
C26 Ru1 C25 37.43(8) .
C28 Ru1 C25 79.22(8) .
C24 Ru1 C25 36.10(8) .
C27 Ru1 P1 95.15(6) .
C29 Ru1 P1 129.33(6) .
C26 Ru1 P1 115.57(6) .
C28 Ru1 P1 101.20(6) .
C24 Ru1 P1 166.89(6) .
C25 Ru1 P1 151.11(6) .
C27 Ru1 Cl2 123.80(6) .
C29 Ru1 Cl2 148.39(6) .
C26 Ru1 Cl2 94.16(6) .
C28 Ru1 Cl2 161.30(6) .
C24 Ru1 Cl2 111.67(6) .
C25 Ru1 Cl2 89.68(6) .
P1 Ru1 Cl2 81.323(18) .
C27 Ru1 Cl1 148.46(6) .
C29 Ru1 Cl1 85.66(6) .
C26 Ru1 Cl1 155.44(6) .
C28 Ru1 Cl1 110.74(6) .
C24 Ru1 Cl1 89.85(6) .
C25 Ru1 Cl1 118.25(6) .
P1 Ru1 Cl1 88.937(19) .
Cl2 Ru1 Cl1 87.74(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C32 O3A 1.435(13) .
C32 O3B 1.436(13) .
O1 C30 1.478(13) .
O2 C31 1.396(15) .
C31 C31 1.16(3) 2_766
C1 C2 1.504(3) .
C1 P1 1.865(2) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.380(3) .
C2 C7 1.433(3) .
C3 C4 1.403(3) .
C3 H3 0.9500 .
C4 C5 1.357(4) .
C4 H4 0.9500 .
C5 C6 1.408(3) .
C5 H5 0.9500 .
C6 C11 1.416(3) .
C6 C7 1.427(3) .
C7 C8 1.422(3) .
C8 C9 1.370(3) .
C8 H8 0.9500 .
C9 C10 1.401(4) .
C9 H9 0.9500 .
C10 C11 1.356(4) .
C10 H10 0.9500 .
C11 H11 0.9500 .
C12 C17 1.534(3) .
C12 C13 1.540(3) .
C12 P1 1.865(2) .
C12 H12 1.0000 .
C13 C14 1.530(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.531(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.520(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.529(3) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C23 1.535(3) .
C18 C19 1.537(3) .
C18 P1 1.845(2) .
C18 H18 1.0000 .
C19 C20 1.527(3) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.523(3) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.514(3) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.528(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.386(3) .
C24 C29 1.424(3) .
C24 Ru1 2.236(2) .
C24 H24 0.9500 .
C25 C26 1.420(3) .
C25 Ru1 2.238(2) .
C25 H25 0.9500 .
C26 C27 1.407(3) .
C26 Ru1 2.187(2) .
C26 H26 0.9500 .
C27 C28 1.420(3) .
C27 Ru1 2.182(2) .
C27 H27 0.9500 .
C28 C29 1.398(3) .
C28 Ru1 2.201(2) .
C28 H28 0.9500 .
C29 Ru1 2.183(2) .
C29 H29 0.9500 .
Cl1 Ru1 2.4212(5) .
Cl2 Ru1 2.4006(5) .
P1 Ru1 2.3779(5) .
