#------------------------------------------------------------------------------
#$Date: 2018-10-05 14:19:55 +0200 (vie 05 de oct de 2018) $
#$Revision: 211332 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/20/7012034.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_7012034
loop_
_publ_author_name
'Balakrishna, Maravanji S.'
'Panda, Rashmishree'
'Mague, Joel T.'
_publ_section_title
;
 Synthesis and derivatization, structures and transition metal
 chemistry of a new large bite bis(phosphinite) derived from
 bis(2-hydroxy-1-naphthyl)methane
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4617
_journal_paper_doi               10.1039/b206994f
_journal_year                    2002
_chemical_formula_sum            'C51 H42 Cl3 O2.5 P2 Ru'
_chemical_formula_weight         964.21
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 122.897(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   41.312(2)
_cell_length_b                   12.8234(17)
_cell_length_c                   22.770(2)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.10
_cell_measurement_theta_min      19.03
_cell_volume                     10128.4(19)
_computing_cell_refinement       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_molecular_graphics    'SHELXTL (Bruker AXS, 1997)'
_computing_publication_material  'SHELXTL (Bruker AXS, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enray-Nonius CAD-4'
_diffrn_measurement_method       'ω scans'
_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  0.0512
_diffrn_reflns_av_sigmaI/netI    0.1125
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            9164
_diffrn_reflns_theta_full        25.13
_diffrn_reflns_theta_max         25.13
_diffrn_reflns_theta_min         1.69
_diffrn_standards_decay_%        11
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.568
_exptl_absorpt_correction_T_max  0.9056
_exptl_absorpt_correction_T_min  0.7942
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ψ scans (North, et al., 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3944
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.26
_refine_diff_density_max         1.412
_refine_diff_density_min         -0.400
_refine_diff_density_rms         0.144
_refine_ls_extinction_coef       0.00035(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         9030
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1585
_refine_ls_R_factor_gt           0.0619
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1590P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1947
_refine_ls_wR_factor_ref         0.2354
_reflns_number_gt                5018
_reflns_number_total             9030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b206994f.txt
_cod_data_source_block           msb111
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        10128.4(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C51 H42 Cl3 O2.50 P2 Ru'
_cod_database_code               7012034
_computing_data-reduction        'XCAD4 (Harms, 1996)'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.657297(16) 0.93365(4) 0.78760(3) 0.0370(2) Uani 1 1 d . . .
Cl Cl 0.72029(5) 0.92330(16) 0.80397(11) 0.0562(5) Uani 1 1 d . . .
P1 P 0.63633(5) 0.77882(13) 0.73267(9) 0.0329(4) Uani 1 1 d . . .
P2 P 0.63544(5) 1.02362(14) 0.68781(10) 0.0366(4) Uani 1 1 d . . .
O1 O 0.60713(12) 0.7884(3) 0.6478(2) 0.0378(10) Uani 1 1 d . . .
O2 O 0.58918(13) 1.0300(4) 0.6268(2) 0.0431(11) Uani 1 1 d . . .
C1 C 0.67446(19) 0.6907(5) 0.7476(4) 0.0414(16) Uani 1 1 d . . .
C2 C 0.7032(2) 0.6699(6) 0.8168(4) 0.0545(19) Uani 1 1 d . . .
H2 H 0.7012 0.6978 0.8524 0.065 Uiso 1 1 calc R . .
C3 C 0.7353(2) 0.6069(7) 0.8341(5) 0.067(2) Uani 1 1 d . . .
H3 H 0.7535 0.5894 0.8803 0.080 Uiso 1 1 calc R . .
C4 C 0.7392(3) 0.5718(7) 0.7809(7) 0.076(3) Uani 1 1 d . . .
H4 H 0.7605 0.5319 0.7916 0.091 Uiso 1 1 calc R . .
C5 C 0.7112(3) 0.5959(6) 0.7110(6) 0.068(3) Uani 1 1 d . . .
H5 H 0.7141 0.5723 0.6754 0.081 Uiso 1 1 calc R . .
C6 C 0.6794(2) 0.6549(6) 0.6950(4) 0.0502(18) Uani 1 1 d . . .
H6 H 0.6610 0.6708 0.6486 0.060 Uiso 1 1 calc R . .
C7 C 0.60718(19) 0.7038(5) 0.7556(4) 0.0394(15) Uani 1 1 d . . .
C8 C 0.6201(2) 0.6161(7) 0.7985(5) 0.063(2) Uani 1 1 d . . .
H8 H 0.6438 0.5861 0.8130 0.075 Uiso 1 1 calc R . .
C9 C 0.5964(3) 0.5737(8) 0.8196(5) 0.079(3) Uani 1 1 d . . .
H9 H 0.6053 0.5172 0.8501 0.095 Uiso 1 1 calc R . .
C10 C 0.5610(3) 0.6131(8) 0.7965(5) 0.069(3) Uani 1 1 d . . .
H10 H 0.5460 0.5846 0.8115 0.083 Uiso 1 1 calc R . .
C11 C 0.5478(2) 0.6943(7) 0.7517(5) 0.063(2) Uani 1 1 d . . .
H11 H 0.5229 0.7186 0.7337 0.075 Uiso 1 1 calc R . .
C12 C 0.5707(2) 0.7422(6) 0.7319(4) 0.0521(19) Uani 1 1 d . . .
H12 H 0.5614 0.8002 0.7028 0.062 Uiso 1 1 calc R . .
C13 C 0.58226(19) 0.7142(5) 0.5964(4) 0.0377(15) Uani 1 1 d . . .
C14 C 0.5890(2) 0.6071(5) 0.6093(4) 0.0461(17) Uani 1 1 d . . .
H14 H 0.6082 0.5819 0.6529 0.055 Uiso 1 1 calc R . .
C15 C 0.5664(3) 0.5424(6) 0.5558(4) 0.059(2) Uani 1 1 d . . .
H15 H 0.5704 0.4709 0.5632 0.071 Uiso 1 1 calc R . .
C16 C 0.5372(2) 0.5770(6) 0.4897(4) 0.055(2) Uani 1 1 d . . .
C17 C 0.5145(3) 0.5073(8) 0.4328(6) 0.083(3) Uani 1 1 d . . .
H17 H 0.5187 0.4358 0.4399 0.100 Uiso 1 1 calc R . .
C18 C 0.4875(3) 0.5426(9) 0.3699(5) 0.089(3) Uani 1 1 d . . .
H18 H 0.4733 0.4959 0.3333 0.107 Uiso 1 1 calc R . .
C19 C 0.4804(3) 0.6479(9) 0.3585(5) 0.080(3) Uani 1 1 d . . .
H19 H 0.4610 0.6713 0.3145 0.096 Uiso 1 1 calc R . .
C20 C 0.5014(2) 0.7190(7) 0.4110(4) 0.063(2) Uani 1 1 d . . .
H20 H 0.4967 0.7899 0.4016 0.076 Uiso 1 1 calc R . .
C21 C 0.5302(2) 0.6853(6) 0.4791(4) 0.0479(18) Uani 1 1 d . . .
C22 C 0.55279(19) 0.7561(5) 0.5353(3) 0.0385(15) Uani 1 1 d . . .
C23 C 0.5448(2) 0.8726(5) 0.5283(4) 0.0421(16) Uani 1 1 d . . .
H23A H 0.5235 0.8871 0.4810 0.051 Uiso 1 1 calc R . .
H23B H 0.5673 0.9087 0.5352 0.051 Uiso 1 1 calc R . .
C24 C 0.53522(19) 0.9172(5) 0.5795(4) 0.0385(16) Uani 1 1 d . . .
C25 C 0.5016(2) 0.8825(6) 0.5775(4) 0.0445(17) Uani 1 1 d . . .
C26 C 0.4750(2) 0.8106(6) 0.5278(5) 0.058(2) Uani 1 1 d . . .
H26 H 0.4783 0.7851 0.4932 0.070 Uiso 1 1 calc R . .
C27 C 0.4436(2) 0.7776(8) 0.5307(6) 0.073(3) Uani 1 1 d . . .
H27 H 0.4263 0.7297 0.4980 0.088 Uiso 1 1 calc R . .
C28 C 0.4377(3) 0.8149(9) 0.5814(6) 0.078(3) Uani 1 1 d . . .
H28 H 0.4174 0.7892 0.5840 0.093 Uiso 1 1 calc R . .
C29 C 0.4610(3) 0.8874(9) 0.6261(5) 0.072(3) Uani 1 1 d . . .
H29 H 0.4555 0.9149 0.6576 0.087 Uiso 1 1 calc R . .
C30 C 0.4939(2) 0.9251(6) 0.6279(4) 0.055(2) Uani 1 1 d . . .
C31 C 0.5186(3) 1.0022(7) 0.6747(4) 0.059(2) Uani 1 1 d . . .
H31 H 0.5137 1.0309 0.7067 0.071 Uiso 1 1 calc R . .
C32 C 0.5499(2) 1.0354(6) 0.6738(4) 0.0461(17) Uani 1 1 d . . .
H32 H 0.5656 1.0881 0.7039 0.055 Uiso 1 1 calc R . .
C33 C 0.55833(19) 0.9906(5) 0.6280(4) 0.0390(16) Uani 1 1 d . . .
C34 C 0.6456(2) 1.1617(5) 0.7038(4) 0.0441(17) Uani 1 1 d . . .
C35 C 0.6835(2) 1.1948(7) 0.7418(5) 0.071(3) Uani 1 1 d . . .
H35 H 0.7032 1.1464 0.7563 0.085 Uiso 1 1 calc R . .
C36 C 0.6926(3) 1.2991(8) 0.7586(6) 0.094(4) Uani 1 1 d . . .
H36 H 0.7182 1.3202 0.7835 0.112 Uiso 1 1 calc R . .
C37 C 0.6647(3) 1.3699(7) 0.7391(6) 0.083(3) Uani 1 1 d . . .
H37 H 0.6713 1.4395 0.7510 0.099 Uiso 1 1 calc R . .
C38 C 0.6267(3) 1.3416(7) 0.7022(6) 0.081(3) Uani 1 1 d . . .
H38 H 0.6073 1.3906 0.6895 0.097 Uiso 1 1 calc R . .
C39 C 0.6178(3) 1.2358(6) 0.6839(5) 0.060(2) Uani 1 1 d . . .
H39 H 0.5920 1.2157 0.6573 0.072 Uiso 1 1 calc R . .
C40 C 0.6513(2) 0.9951(5) 0.6292(4) 0.0404(16) Uani 1 1 d . . .
C41 C 0.6418(3) 1.0643(8) 0.5740(5) 0.073(3) Uani 1 1 d . . .
H41 H 0.6286 1.1257 0.5692 0.087 Uiso 1 1 calc R . .
C42 C 0.6519(4) 1.0414(10) 0.5274(6) 0.094(4) Uani 1 1 d . . .
H42 H 0.6454 1.0873 0.4910 0.113 Uiso 1 1 calc R . .
C43 C 0.6719(3) 0.9498(8) 0.5339(5) 0.071(3) Uani 1 1 d . . .
H43 H 0.6786 0.9341 0.5019 0.085 Uiso 1 1 calc R . .
C44 C 0.6813(3) 0.8856(7) 0.5865(5) 0.065(2) Uani 1 1 d . . .
H44 H 0.6950 0.8253 0.5916 0.078 Uiso 1 1 calc R . .
C45 C 0.6710(2) 0.9061(6) 0.6345(4) 0.0487(18) Uani 1 1 d . . .
H45 H 0.6776 0.8590 0.6704 0.058 Uiso 1 1 calc R . .
C46 C 0.6527(3) 0.8875(7) 0.8772(4) 0.064(2) Uani 1 1 d . . .
H46 H 0.6500 0.8192 0.8877 0.077 Uiso 1 1 calc R . .
C47 C 0.6874(3) 0.9390(8) 0.9034(4) 0.068(3) Uani 1 1 d . . .
H47 H 0.7119 0.9111 0.9329 0.082 Uiso 1 1 calc R . .
C48 C 0.6785(3) 1.0429(7) 0.8766(4) 0.067(3) Uani 1 1 d . . .
H48 H 0.6963 1.0953 0.8865 0.081 Uiso 1 1 calc R . .
C49 C 0.6383(3) 1.0529(7) 0.8328(5) 0.069(3) Uani 1 1 d . . .
H49 H 0.6247 1.1126 0.8088 0.082 Uiso 1 1 calc R . .
C50 C 0.6220(3) 0.9546(7) 0.8320(4) 0.061(2) Uani 1 1 d . . .
H50 H 0.5960 0.9378 0.8064 0.073 Uiso 1 1 calc R . .
Cl1S Cl 0.2971(3) 0.6858(8) 0.4916(4) 0.153(4) Uani 0.50 1 d P . .
Cl2S Cl 0.3517(2) 0.6099(8) 0.4595(5) 0.158(4) Uani 0.50 1 d P . .
C1S C 0.3095(9) 0.670(3) 0.439(2) 0.19(2) Uani 0.50 1 d P . .
Cl3S Cl 0.5580(3) 1.2058(9) 0.8265(5) 0.171(4) Uani 0.50 1 d PD . .
C2SA C 0.5879(14) 1.194(3) 0.9181(12) 0.101(9) Uiso 0.25 1 d PD A 1
Cl4A Cl 0.6100(6) 1.3215(13) 0.9473(11) 0.150(5) Uani 0.25 1 d PD A 1
C2SB C 0.5909(10) 1.232(4) 0.9159(15) 0.101(9) Uiso 0.25 1 d PD A 2
Cl4B Cl 0.6272(6) 1.3004(13) 0.9132(11) 0.150(5) Uani 0.25 1 d PD A 2
O1S O 0.7141(10) 0.445(3) 0.9421(18) 0.106(10) Uiso 0.25 1 d P . .
O2S O 0.7582(10) 1.239(3) 0.9749(18) 0.113(11) Uiso 0.25 1 d P . .
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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C50 Ru C49 37.7(3) . . ?
C50 Ru C48 62.1(4) . . ?
C49 Ru C48 37.0(4) . . ?
C50 Ru C47 62.2(4) . . ?
C49 Ru C47 62.5(4) . . ?
C48 Ru C47 37.6(3) . . ?
C50 Ru C46 37.1(3) . . ?
C49 Ru C46 61.9(3) . . ?
C48 Ru C46 61.2(3) . . ?
C47 Ru C46 36.3(3) . . ?
C50 Ru P1 102.3(3) . . ?
C49 Ru P1 137.8(3) . . ?
C48 Ru P1 155.0(3) . . ?
C47 Ru P1 119.0(3) . . ?
C46 Ru P1 94.3(2) . . ?
C50 Ru P2 113.5(2) . . ?
C49 Ru P2 93.8(3) . . ?
C48 Ru P2 109.9(3) . . ?
C47 Ru P2 147.1(3) . . ?
C46 Ru P2 150.6(3) . . ?
P1 Ru P2 93.94(7) . . ?
C50 Ru Cl 149.5(3) . . ?
C49 Ru Cl 126.1(3) . . ?
C48 Ru Cl 92.1(3) . . ?
C47 Ru Cl 87.5(3) . . ?
C46 Ru Cl 117.6(3) . . ?
P1 Ru Cl 95.39(7) . . ?
P2 Ru Cl 89.53(7) . . ?
O1 P1 C1 106.0(3) . . ?
O1 P1 C7 101.5(3) . . ?
C1 P1 C7 105.0(3) . . ?
O1 P1 Ru 113.83(17) . . ?
C1 P1 Ru 114.3(2) . . ?
C7 P1 Ru 114.9(2) . . ?
O2 P2 C34 99.0(3) . . ?
O2 P2 C40 96.1(3) . . ?
C34 P2 C40 102.1(3) . . ?
O2 P2 Ru 121.50(18) . . ?
C34 P2 Ru 112.0(2) . . ?
C40 P2 Ru 122.1(2) . . ?
C13 O1 P1 131.4(4) . . ?
C33 O2 P2 128.7(4) . . ?
C2 C1 C6 118.5(7) . . ?
C2 C1 P1 116.8(5) . . ?
C6 C1 P1 124.1(6) . . ?
C1 C2 C3 121.2(8) . . ?
C4 C3 C2 118.8(9) . . ?
C3 C4 C5 120.5(8) . . ?
C6 C5 C4 119.8(9) . . ?
C5 C6 C1 121.0(8) . . ?
C12 C7 C8 118.7(7) . . ?
C12 C7 P1 116.7(5) . . ?
C8 C7 P1 124.4(6) . . ?
C7 C8 C9 118.5(8) . . ?
C10 C9 C8 121.7(9) . . ?
C11 C10 C9 119.4(8) . . ?
C10 C11 C12 121.3(8) . . ?
C7 C12 C11 120.2(8) . . ?
C22 C13 C14 124.4(7) . . ?
C22 C13 O1 114.9(6) . . ?
C14 C13 O1 120.7(6) . . ?
C15 C14 C13 117.0(7) . . ?
C14 C15 C16 123.3(7) . . ?
C15 C16 C21 118.3(7) . . ?
C15 C16 C17 122.4(8) . . ?
C21 C16 C17 119.2(8) . . ?
C18 C17 C16 121.2(10) . . ?
C17 C18 C19 120.3(9) . . ?
C20 C19 C18 121.3(9) . . ?
C19 C20 C21 120.5(9) . . ?
C16 C21 C20 117.4(7) . . ?
C16 C21 C22 119.9(7) . . ?
C20 C21 C22 122.6(7) . . ?
C13 C22 C21 116.8(6) . . ?
C13 C22 C23 121.0(6) . . ?
C21 C22 C23 122.2(6) . . ?
C22 C23 C24 114.7(6) . . ?
C33 C24 C25 118.6(6) . . ?
C33 C24 C23 121.0(6) . . ?
C25 C24 C23 120.4(6) . . ?
C26 C25 C24 123.3(7) . . ?
C26 C25 C30 118.0(7) . . ?
C24 C25 C30 118.7(7) . . ?
C27 C26 C25 119.9(9) . . ?
C28 C27 C26 121.4(9) . . ?
C29 C28 C27 119.8(8) . . ?
C28 C29 C30 122.9(9) . . ?
C31 C30 C29 123.3(8) . . ?
C31 C30 C25 118.9(7) . . ?
C29 C30 C25 117.8(8) . . ?
C32 C31 C30 120.5(7) . . ?
C31 C32 C33 120.3(7) . . ?
C24 C33 O2 118.8(6) . . ?
C24 C33 C32 122.7(6) . . ?
O2 C33 C32 118.1(7) . . ?
C39 C34 C35 117.3(7) . . ?
C39 C34 P2 123.5(6) . . ?
C35 C34 P2 119.1(6) . . ?
C34 C35 C36 120.9(8) . . ?
C37 C36 C35 120.5(10) . . ?
C36 C37 C38 121.2(9) . . ?
C37 C38 C39 117.7(9) . . ?
C34 C39 C38 122.3(9) . . ?
C45 C40 C41 117.8(7) . . ?
C45 C40 P2 122.6(5) . . ?
C41 C40 P2 119.6(6) . . ?
C42 C41 C40 120.3(9) . . ?
C41 C42 C43 120.8(9) . . ?
C44 C43 C42 118.8(8) . . ?
C43 C44 C45 121.8(8) . . ?
C40 C45 C44 120.5(7) . . ?
C47 C46 C50 109.4(8) . . ?
C47 C46 Ru 71.6(5) . . ?
C50 C46 Ru 70.1(4) . . ?
C46 C47 C48 107.0(9) . . ?
C46 C47 Ru 72.1(5) . . ?
C48 C47 Ru 70.9(5) . . ?
C49 C48 C47 108.7(9) . . ?
C49 C48 Ru 71.4(5) . . ?
C47 C48 Ru 71.5(5) . . ?
C48 C49 C50 107.2(9) . . ?
C48 C49 Ru 71.6(5) . . ?
C50 C49 Ru 70.5(4) . . ?
C46 C50 C49 107.6(9) . . ?
C46 C50 Ru 72.8(5) . . ?
C49 C50 Ru 71.8(4) . . ?
Cl1S C1S Cl2S 124(2) . . ?
C2SA Cl3S C2SB 16.6(17) . . ?
Cl3S C2SA Cl4A 105(2) . . ?
Cl3S C2SB Cl4B 101(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru C50 2.196(7) . ?
Ru C49 2.213(8) . ?
Ru C48 2.216(8) . ?
Ru C47 2.223(8) . ?
Ru C46 2.230(7) . ?
Ru P1 2.2539(18) . ?
Ru P2 2.2542(19) . ?
Ru Cl 2.4239(19) . ?
P1 O1 1.636(5) . ?
P1 C1 1.814(7) . ?
P1 C7 1.825(7) . ?
P2 O2 1.645(5) . ?
P2 C34 1.811(7) . ?
P2 C40 1.813(7) . ?
O1 C13 1.423(8) . ?
O2 C33 1.385(8) . ?
C1 C2 1.390(11) . ?
C1 C6 1.396(10) . ?
C2 C3 1.415(11) . ?
C3 C4 1.379(14) . ?
C4 C5 1.403(14) . ?
C5 C6 1.384(11) . ?
C7 C12 1.388(10) . ?
C7 C8 1.393(10) . ?
C8 C9 1.413(12) . ?
C9 C10 1.353(14) . ?
C10 C11 1.347(13) . ?
C11 C12 1.390(10) . ?
C13 C22 1.366(9) . ?
C13 C14 1.400(9) . ?
C14 C15 1.346(11) . ?
C15 C16 1.395(11) . ?
C16 C21 1.411(11) . ?
C16 C17 1.428(12) . ?
C17 C18 1.329(14) . ?
C18 C19 1.376(14) . ?
C19 C20 1.373(12) . ?
C20 C21 1.416(11) . ?
C21 C22 1.426(10) . ?
C22 C23 1.520(9) . ?
C23 C24 1.533(9) . ?
C24 C33 1.368(10) . ?
C24 C25 1.434(9) . ?
C25 C26 1.410(11) . ?
C25 C30 1.454(11) . ?
C26 C27 1.401(11) . ?
C27 C28 1.388(14) . ?
C28 C29 1.328(14) . ?
C29 C30 1.424(11) . ?
C30 C31 1.405(12) . ?
C31 C32 1.374(11) . ?
C32 C33 1.389(9) . ?
C34 C39 1.366(11) . ?
C34 C35 1.383(11) . ?
C35 C36 1.385(12) . ?
C36 C37 1.340(14) . ?
C37 C38 1.367(14) . ?
C38 C39 1.408(11) . ?
C40 C45 1.369(10) . ?
C40 C41 1.410(11) . ?
C41 C42 1.366(12) . ?
C42 C43 1.397(14) . ?
C43 C44 1.326(12) . ?
C44 C45 1.395(10) . ?
C46 C47 1.388(13) . ?
C46 C50 1.409(12) . ?
C47 C48 1.429(13) . ?
C48 C49 1.405(14) . ?
C49 C50 1.423(12) . ?
Cl1S C1S 1.54(5) . ?
Cl2S C1S 1.73(4) . ?
Cl3S C2SA 1.76(2) . ?
Cl3S C2SB 1.76(2) . ?
C2SA Cl4A 1.81(2) . ?
C2SB Cl4B 1.77(2) . ?
O2S O2S 1.64(6) 7_677 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru P1 O1 C13 -166.3(5) . . . . ?
P1 O1 C13 C22 158.3(5) . . . . ?
O1 C13 C22 C23 -8.0(9) . . . . ?
C13 C22 C23 C24 -60.1(9) . . . . ?
C22 C23 C24 C33 117.6(7) . . . . ?
C23 C24 C33 O2 4.7(9) . . . . ?
C24 C33 O2 P2 -118.6(6) . . . . ?
C33 O2 P2 Ru 4.3(6) . . . . ?
