#------------------------------------------------------------------------------
#$Date: 2020-10-04 06:06:59 +0300 (Sun, 04 Oct 2020) $
#$Revision: 257052 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/73/4517338.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_4517338
loop_
_publ_author_name
'Eivgi, Or'
'Vaisman, Anna'
'Nechmad, Noy B.'
'Baranov, Mark'
'Lemcoff, N. Gabriel'
_publ_section_title
;
 Latent Ruthenium Benzylidene Phosphite Complexes for
 Visible-Light-Induced Olefin Metathesis
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              2033
_journal_page_last               2038
_journal_paper_doi               10.1021/acscatal.9b05079
_journal_year                    2020
_chemical_formula_moiety         'C49 H54 Cl2 N2 O3 P Ru, 0.5(C8)'
_chemical_formula_sum            'C53 H54 Cl2 N2 O3 P Ru'
_chemical_formula_weight         969.92
_chemical_name_common            'Keinan162b (Ofer)'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                99.247(3)
_cell_angle_beta                 100.894(2)
_cell_angle_gamma                94.830(4)
_cell_formula_units_Z            2
_cell_length_a                   9.051(6)
_cell_length_b                   12.257(5)
_cell_length_c                   23.016(4)
_cell_measurement_reflns_used    8126
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      24.789
_cell_measurement_theta_min      1.695
_cell_volume                     2457(2)
_computing_cell_refinement       'APEX2 v2010.7-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v2010.7.0.0'
_computing_data_reduction        'SAINT V7.68A (Bruker AXS, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 95
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'APEX2 (Bruker AXS)'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1157
_diffrn_reflns_av_unetI/netI     0.3015
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            19451
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        24.789
_diffrn_reflns_theta_max         24.789
_diffrn_reflns_theta_min         1.695
_exptl_absorpt_coefficient_mu    0.503
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2008/1 (Bruker AXS)'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_description       needle
_exptl_crystal_F_000             1006
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.875
_refine_diff_density_min         -1.480
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     519
_refine_ls_number_reflns         8126
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.908
_refine_ls_R_factor_all          0.1804
_refine_ls_R_factor_gt           0.0796
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1629
_refine_ls_wR_factor_ref         0.2122
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3785
_reflns_number_total             8126
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs9b05079_si_001.cif
_cod_data_source_block           Keinan162b
_cod_depositor_comments
'Adding full bibliography for 4517338--4517339.cif.'
_cod_original_cell_volume        2458(2)
_cod_database_code               4517338
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.915
_shelx_estimated_absorpt_t_max   0.970
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ru1 Ru 0.76689(7) 0.44016(6) 0.29693(3) 0.0393(3) Uani 1 1 d . . .
Cl1 Cl 1.0319(2) 0.5027(2) 0.30976(13) 0.0650(8) Uani 1 1 d . . .
Cl2 Cl 0.8507(3) 0.2919(2) 0.34671(11) 0.0557(7) Uani 1 1 d . . .
P1 P 0.7201(2) 0.6027(2) 0.26710(11) 0.0409(6) Uani 1 1 d . . .
O1 O 0.8171(6) 0.6467(5) 0.2227(3) 0.0542(17) Uani 1 1 d . . .
O2 O 0.5492(6) 0.6061(5) 0.2351(3) 0.0504(16) Uani 1 1 d . . .
O3 O 0.7453(6) 0.7134(5) 0.3170(3) 0.0506(16) Uani 1 1 d . . .
N1 N 0.5348(7) 0.4411(5) 0.3731(3) 0.0392(17) Uani 1 1 d . . .
N2 N 0.4420(7) 0.3224(6) 0.2911(3) 0.0440(18) Uani 1 1 d . . .
C1 C 0.5598(8) 0.4024(6) 0.3189(4) 0.035(2) Uani 1 1 d . . .
C2 C 0.3287(10) 0.3079(8) 0.3297(4) 0.059(3) Uani 1 1 d . . .
H2A H 0.227376 0.322960 0.309948 0.071 Uiso 1 1 calc R U .
H2B H 0.320993 0.231525 0.338691 0.071 Uiso 1 1 calc R U .
C3 C 0.3890(10) 0.3899(7) 0.3845(4) 0.055(3) Uani 1 1 d . . .
H3A H 0.407343 0.353697 0.420303 0.065 Uiso 1 1 calc R U .
H3B H 0.318765 0.446471 0.390576 0.065 Uiso 1 1 calc R U .
C4 C 0.4108(10) 0.2579(8) 0.2318(4) 0.051(3) Uani 1 1 d . . .
C5 C 0.3196(10) 0.2972(8) 0.1844(4) 0.053(3) Uani 1 1 d . . .
C6 C 0.2817(11) 0.2293(10) 0.1271(5) 0.071(3) Uani 1 1 d . . .
H6 H 0.223492 0.256451 0.094736 0.085 Uiso 1 1 calc R U .
C7 C 0.3272(14) 0.1231(11) 0.1164(5) 0.079(4) Uani 1 1 d . . .
C8 C 0.4122(13) 0.0858(9) 0.1641(6) 0.073(3) Uani 1 1 d . . .
H8 H 0.444286 0.013912 0.157200 0.088 Uiso 1 1 calc R U .
C9 C 0.4533(11) 0.1495(8) 0.2225(5) 0.058(3) Uani 1 1 d . . .
C10 C 0.5455(12) 0.1053(8) 0.2717(6) 0.082(4) Uani 1 1 d . . .
H10A H 0.653209 0.127294 0.273676 0.123 Uiso 1 1 calc R U .
H10B H 0.525282 0.023922 0.264058 0.123 Uiso 1 1 calc R U .
H10C H 0.519040 0.135448 0.310000 0.123 Uiso 1 1 calc R U .
C11 C 0.2554(10) 0.4079(8) 0.1951(5) 0.069(3) Uani 1 1 d . . .
H11A H 0.161940 0.397312 0.210234 0.103 Uiso 1 1 calc R U .
H11B H 0.233258 0.435966 0.157234 0.103 Uiso 1 1 calc R U .
H11C H 0.329617 0.461797 0.224787 0.103 Uiso 1 1 calc R U .
C12 C 0.2838(15) 0.0510(10) 0.0536(5) 0.118(5) Uani 1 1 d . . .
H12A H 0.216607 0.088702 0.026798 0.177 Uiso 1 1 calc R U .
H12B H 0.231520 -0.020986 0.055919 0.177 Uiso 1 1 calc R U .
H12C H 0.375552 0.039171 0.037759 0.177 Uiso 1 1 calc R U .
C13 C 0.6177(8) 0.5354(8) 0.4167(4) 0.039(2) Uani 1 1 d . . .
C14 C 0.7299(9) 0.5176(7) 0.4652(4) 0.046(2) Uani 1 1 d . . .
C15 C 0.8138(9) 0.6090(8) 0.5058(4) 0.046(2) Uani 1 1 d . . .
H15 H 0.892721 0.597539 0.537015 0.055 Uiso 1 1 calc R U .
C16 C 0.7824(9) 0.7159(7) 0.5007(4) 0.043(2) Uani 1 1 d . . .
C17 C 0.6602(10) 0.7282(8) 0.4553(4) 0.049(2) Uani 1 1 d . . .
H17 H 0.631629 0.800752 0.454213 0.059 Uiso 1 1 calc R U .
C18 C 0.5792(9) 0.6414(8) 0.4124(4) 0.044(2) Uani 1 1 d . . .
C19 C 0.4432(9) 0.6632(8) 0.3685(4) 0.060(3) Uani 1 1 d . . .
H19A H 0.398036 0.593620 0.341238 0.091 Uiso 1 1 calc R U .
H19B H 0.474874 0.717726 0.345069 0.091 Uiso 1 1 calc R U .
H19C H 0.368295 0.692511 0.390613 0.091 Uiso 1 1 calc R U .
C20 C 0.7521(11) 0.4023(7) 0.4781(4) 0.060(3) Uani 1 1 d . . .
H20A H 0.670886 0.376010 0.497044 0.090 Uiso 1 1 calc R U .
H20B H 0.850237 0.404823 0.505338 0.090 Uiso 1 1 calc R U .
H20C H 0.749737 0.351361 0.440411 0.090 Uiso 1 1 calc R U .
C21 C 0.8779(12) 0.8166(8) 0.5435(5) 0.074(3) Uani 1 1 d . . .
H21A H 0.846937 0.825100 0.582373 0.111 Uiso 1 1 calc R U .
H21B H 0.862663 0.883906 0.526232 0.111 Uiso 1 1 calc R U .
H21C H 0.985246 0.805306 0.549218 0.111 Uiso 1 1 calc R U .
C22 C 0.6933(8) 0.3775(5) 0.2185(3) 0.0401(15) Uani 1 1 d D . .
H22A H 0.587262 0.347272 0.216653 0.048 Uiso 1 1 calc R U .
H22B H 0.687180 0.440785 0.196598 0.048 Uiso 1 1 calc DR U .
C23 C 0.7552(8) 0.2898(5) 0.1797(4) 0.0401(15) Uani 1 1 d D . .
C24 C 0.6856(11) 0.2580(8) 0.1181(4) 0.062(3) Uani 1 1 d . . .
H24 H 0.600428 0.292503 0.102396 0.075 Uiso 1 1 calc R U .
C25 C 0.7384(12) 0.1778(9) 0.0802(5) 0.072(3) Uani 1 1 d . . .
H25 H 0.690062 0.158564 0.038974 0.087 Uiso 1 1 calc R U .
C26 C 0.8601(13) 0.1262(9) 0.1020(5) 0.069(3) Uani 1 1 d . . .
H26 H 0.894521 0.069643 0.076277 0.082 Uiso 1 1 calc R U .
C27 C 0.9311(11) 0.1567(8) 0.1607(5) 0.066(3) Uani 1 1 d . . .
H27 H 1.016180 0.121175 0.175409 0.079 Uiso 1 1 calc R U .
C28 C 0.8827(9) 0.2389(7) 0.2000(4) 0.052(2) Uani 1 1 d . . .
H28 H 0.936509 0.260055 0.240541 0.062 Uiso 1 1 calc R U .
C29 C 0.8472(11) 0.5770(7) 0.1699(4) 0.065(2) Uani 1 1 d . . .
H29A H 0.750915 0.535165 0.145903 0.078 Uiso 1 1 calc DR U .
H29B H 0.915158 0.522366 0.182889 0.078 Uiso 1 1 calc R U .
C30 C 0.9176(12) 0.6427(9) 0.1323(5) 0.065(2) Uani 1 1 d . . .
C31 C 0.9832(13) 0.7487(10) 0.1505(6) 0.088(4) Uani 1 1 d . . .
H31 H 0.983005 0.786034 0.189955 0.105 Uiso 1 1 calc R U .
C32 C 1.0516(17) 0.8048(12) 0.1120(7) 0.121(6) Uani 1 1 d . . .
H32 H 1.102456 0.877788 0.127143 0.145 Uiso 1 1 calc R U .
C33 C 1.048(2) 0.7610(14) 0.0574(9) 0.143(7) Uani 1 1 d . . .
H33 H 1.094357 0.801907 0.032543 0.171 Uiso 1 1 calc R U .
C34 C 0.9760(18) 0.6543(14) 0.0341(6) 0.126(6) Uani 1 1 d . . .
H34 H 0.968215 0.621337 -0.006813 0.152 Uiso 1 1 calc R U .
C35 C 0.9132(15) 0.5955(10) 0.0755(7) 0.103(4) Uani 1 1 d . . .
H35 H 0.867493 0.520883 0.061695 0.124 Uiso 1 1 calc R U .
C36 C 0.4862(12) 0.7017(9) 0.2155(6) 0.084(4) Uani 1 1 d . . .
H36A H 0.538172 0.770089 0.243236 0.100 Uiso 1 1 calc R U .
H36B H 0.377542 0.696515 0.217349 0.100 Uiso 1 1 calc R U .
C37 C 0.5021(12) 0.7105(10) 0.1524(6) 0.077(3) Uani 1 1 d . . .
C38 C 0.5986(15) 0.8002(12) 0.1437(8) 0.118(4) Uani 1 1 d . . .
H38 H 0.649457 0.854438 0.177386 0.142 Uiso 1 1 calc R U .
C39 C 0.6210(16) 0.8109(12) 0.0853(8) 0.118(4) Uani 1 1 d . . .
H39 H 0.685025 0.871716 0.079252 0.142 Uiso 1 1 calc R U .
C40 C 0.5473(19) 0.7306(17) 0.0383(7) 0.159(4) Uani 1 1 d . . .
H40 H 0.560827 0.732540 -0.001501 0.191 Uiso 1 1 calc R U .
C41 C 0.4522(18) 0.6460(15) 0.0501(7) 0.159(4) Uani 1 1 d . . .
H41 H 0.396872 0.592719 0.016883 0.191 Uiso 1 1 calc R U .
C42 C 0.4327(19) 0.6341(16) 0.1047(7) 0.159(4) Uani 1 1 d . . .
H42 H 0.369850 0.571700 0.109769 0.191 Uiso 1 1 calc R U .
C43 C 0.8920(11) 0.7579(8) 0.3571(5) 0.070(3) Uani 1 1 d . . .
H43A H 0.952099 0.695724 0.364156 0.084 Uiso 1 1 calc R U .
H43B H 0.874404 0.794564 0.396352 0.084 Uiso 1 1 calc R U .
C44 C 0.9827(10) 0.8425(8) 0.3304(4) 0.051(2) Uani 1 1 d . . .
C45 C 1.1135(10) 0.8178(8) 0.3132(5) 0.067(3) Uani 1 1 d . . .
H45 H 1.149763 0.748294 0.317124 0.081 Uiso 1 1 calc R U .
C46 C 1.1924(12) 0.8959(9) 0.2901(5) 0.075(3) Uani 1 1 d . . .
H46 H 1.285499 0.880566 0.279019 0.090 Uiso 1 1 calc R U .
C47 C 1.1392(13) 0.9950(9) 0.2828(5) 0.070(3) Uani 1 1 d . . .
H47 H 1.192392 1.047029 0.265372 0.084 Uiso 1 1 calc R U .
C48 C 1.0082(13) 1.0177(9) 0.3009(5) 0.075(3) Uani 1 1 d . . .
H48 H 0.972537 1.087257 0.296723 0.090 Uiso 1 1 calc R U .
C49 C 0.9273(11) 0.9448(8) 0.3246(5) 0.062(3) Uani 1 1 d . . .
H49 H 0.836354 0.962114 0.336968 0.075 Uiso 1 1 calc R U .
C50 C 0.533(3) 1.0479(18) 0.4298(11) 0.204(9) Uiso 1 1 d . . .
C51 C 0.658(3) 1.092(2) 0.4485(12) 0.085(7) Uiso 0.5 1 d . . P
C52 C 0.690(2) 1.0864(17) 0.5095(11) 0.193(8) Uiso 1 1 d . . .
C53 C 0.5970(18) 1.0271(12) 0.5484(7) 0.117(5) Uiso 1 1 d . . .
C54 C 0.533(3) 1.023(2) 0.4817(14) 0.099(9) Uiso 0.5 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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
C22 Ru1 C1 91.6(3) . .
C22 Ru1 P1 85.3(2) . .
C1 Ru1 P1 97.3(2) . .
C22 Ru1 Cl2 106.2(2) . .
C1 Ru1 Cl2 86.5(2) . .
P1 Ru1 Cl2 167.94(9) . .
C22 Ru1 Cl1 108.8(2) . .
C1 Ru1 Cl1 159.5(3) . .
P1 Ru1 Cl1 87.28(8) . .
Cl2 Ru1 Cl1 85.36(9) . .
O2 P1 O1 104.2(3) . .
O2 P1 O3 100.1(3) . .
O1 P1 O3 98.5(3) . .
O2 P1 Ru1 114.4(2) . .
O1 P1 Ru1 118.1(2) . .
O3 P1 Ru1 118.7(3) . .
C29 O1 P1 123.9(5) . .
C36 O2 P1 125.9(6) . .
C43 O3 P1 123.8(5) . .
C1 N1 C13 127.8(6) . .
C1 N1 C3 113.6(7) . .
C13 N1 C3 117.9(6) . .
C1 N2 C4 129.8(6) . .
C1 N2 C2 112.3(7) . .
C4 N2 C2 117.9(7) . .
N1 C1 N2 106.9(6) . .
N1 C1 Ru1 121.1(6) . .
N2 C1 Ru1 130.6(6) . .
C3 C2 N2 103.8(7) . .
C2 C3 N1 103.3(6) . .
C9 C4 C5 120.3(9) . .
C9 C4 N2 119.7(9) . .
C5 C4 N2 119.5(8) . .
C6 C5 C4 118.8(9) . .
C6 C5 C11 119.8(10) . .
C4 C5 C11 121.4(8) . .
C7 C6 C5 121.7(11) . .
C8 C7 C6 118.0(11) . .
C8 C7 C12 121.5(13) . .
C6 C7 C12 120.6(13) . .
C7 C8 C9 123.0(11) . .
C8 C9 C4 118.1(10) . .
C8 C9 C10 120.5(10) . .
C4 C9 C10 121.4(10) . .
C18 C13 C14 120.9(8) . .
C18 C13 N1 119.2(7) . .
C14 C13 N1 119.8(8) . .
C15 C14 C13 119.6(8) . .
C15 C14 C20 118.2(8) . .
C13 C14 C20 121.9(9) . .
C16 C15 C14 120.3(8) . .
C15 C16 C17 117.6(8) . .
C15 C16 C21 120.6(8) . .
C17 C16 C21 121.8(8) . .
C18 C17 C16 124.1(8) . .
C17 C18 C13 117.0(8) . .
C17 C18 C19 119.4(8) . .
C13 C18 C19 123.1(8) . .
C23 C22 Ru1 128.5(6) . .
C28 C23 C24 116.8(7) . .
C28 C23 C22 123.9(8) . .
C24 C23 C22 119.2(8) . .
C25 C24 C23 121.6(9) . .
C26 C25 C24 120.3(10) . .
C27 C26 C25 119.4(10) . .
C26 C27 C28 121.9(10) . .
C23 C28 C27 119.9(9) . .
O1 C29 C30 111.9(7) . .
C35 C30 C31 117.4(10) . .
C35 C30 C29 117.9(11) . .
C31 C30 C29 124.6(11) . .
C30 C31 C32 121.1(12) . .
C33 C32 C31 122.2(14) . .
C32 C33 C34 120.4(13) . .
C33 C34 C35 116.5(13) . .
C30 C35 C34 122.3(12) . .
O2 C36 C37 112.4(8) . .
C42 C37 C38 118.9(14) . .
C42 C37 C36 122.3(12) . .
C38 C37 C36 118.7(13) . .
C37 C38 C39 121.0(16) . .
C40 C39 C38 117.6(16) . .
C39 C40 C41 118.1(17) . .
C42 C41 C40 124.7(18) . .
C41 C42 C37 119.5(17) . .
O3 C43 C44 111.9(8) . .
C45 C44 C49 121.3(9) . .
C45 C44 C43 120.2(9) . .
C49 C44 C43 118.5(8) . .
C44 C45 C46 118.6(9) . .
C47 C46 C45 121.2(9) . .
C48 C47 C46 118.8(10) . .
C49 C48 C47 122.5(10) . .
C48 C49 C44 117.6(9) . .
C51 C50 C54 88(3) . .
C51 C50 C53 139(3) . 2_676
C54 C50 C53 51.0(17) . 2_676
C50 C51 C52 106(2) . .
C50 C51 C54 48.2(17) . .
C52 C51 C54 57.9(16) . .
C51 C52 C54 71.6(18) . .
C51 C52 C53 131(2) . .
C54 C52 C53 59.1(14) . .
C54 C53 C54 54(2) 2_676 .
C54 C53 C52 113(2) 2_676 .
C54 C53 C52 59.4(13) . .
C54 C53 C50 50.1(13) 2_676 2_676
C54 C53 C50 104(2) . 2_676
C52 C53 C50 163.4(19) . 2_676
C50 C54 C53 79(2) . 2_676
C50 C54 C54 151(4) . 2_676
C53 C54 C54 72(3) 2_676 2_676
C50 C54 C53 155(3) . .
C53 C54 C53 126(2) 2_676 .
C54 C54 C53 54(2) 2_676 .
C50 C54 C52 94(2) . .
C53 C54 C52 173(2) 2_676 .
C54 C54 C52 115(4) 2_676 .
C53 C54 C52 61.4(17) . .
C50 C54 C51 43.4(15) . .
C53 C54 C51 122(2) 2_676 .
C54 C54 C51 166(4) 2_676 .
C53 C54 C51 112(2) . .
C52 C54 C51 50.4(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C22 1.819(7) .
Ru1 C1 2.066(7) .
Ru1 P1 2.257(3) .
Ru1 Cl2 2.401(2) .
Ru1 Cl1 2.404(3) .
P1 O2 1.589(6) .
P1 O1 1.594(6) .
P1 O3 1.600(6) .
O1 C29 1.452(10) .
O2 C36 1.445(10) .
O3 C43 1.471(11) .
N1 C1 1.329(9) .
N1 C13 1.450(10) .
N1 C3 1.501(10) .
N2 C1 1.368(10) .
N2 C4 1.428(11) .
N2 C2 1.496(10) .
C2 C3 1.463(12) .
C4 C9 1.409(12) .
C4 C5 1.413(13) .
C5 C6 1.407(13) .
C5 C11 1.524(12) .
C6 C7 1.397(14) .
C7 C8 1.381(16) .
C7 C12 1.531(15) .
C8 C9 1.406(15) .
C9 C10 1.479(14) .
C13 C18 1.387(11) .
C13 C14 1.418(11) .
C14 C15 1.399(12) .
C14 C20 1.513(11) .
C15 C16 1.382(11) .
C16 C17 1.406(12) .
C16 C21 1.533(12) .
C17 C18 1.379(12) .
C18 C19 1.510(11) .
C22 C23 1.4997(11) .
C23 C28 1.397(11) .
C23 C24 1.414(12) .
C24 C25 1.384(12) .
C25 C26 1.369(13) .
C26 C27 1.359(14) .
C27 C28 1.400(12) .
C29 C30 1.467(10) .
C30 C35 1.332(15) .
C30 C31 1.348(13) .
C31 C32 1.404(14) .
C32 C33 1.279(19) .
C33 C34 1.386(18) .
C34 C35 1.452(15) .
C36 C37 1.506(15) .
C37 C42 1.336(19) .
C37 C38 1.410(15) .
C38 C39 1.420(18) .
C39 C40 1.36(2) .
C40 C41 1.385(19) .
C41 C42 1.330(18) .
C43 C44 1.542(12) .
C44 C45 1.359(11) .
C44 C49 1.405(12) .
C45 C46 1.380(12) .
C46 C47 1.366(13) .
C47 C48 1.365(13) .
C48 C49 1.353(13) .
C50 C51 1.18(3) .
C50 C54 1.28(3) .
C50 C53 1.64(2) 2_676
C51 C52 1.39(3) .
C51 C54 1.71(3) .
C52 C54 1.53(3) .
C52 C53 1.56(2) .
C53 C54 1.30(3) 2_676
C53 C54 1.53(3) .
C54 C54 1.30(5) 2_676
