#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:58:59 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179087 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/49/4304917.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_4304917
loop_
_publ_author_name
'Wai-Man Cheung'
'Ho-Yuen Ng'
'Ian D. Williams'
'Wa-Hung Leung'
_publ_section_title
;
Ruthenium Complexes with Tetraphenylimidodiphosphinate: Syntheses,
Structures, and Applications to Catalytic Organic Oxidation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4383
_journal_page_last               4391
_journal_paper_doi               10.1021/ic800018d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C51 H45 Cl3 N3 O4 P4 Ru'
_chemical_formula_weight         1095.20
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.0500(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2502(2)
_cell_length_b                   25.2344(4)
_cell_length_c                   17.5564(3)
_cell_measurement_reflns_used    5288
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.44
_cell_measurement_theta_min      2.19
_cell_volume                     4946.44(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27262
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.656
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.471
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             2236
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     600
_refine_ls_number_reflns         8642
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0365
_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)+(0.0478P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0815
_refine_ls_wR_factor_ref         0.0862
_reflns_number_gt                6734
_reflns_number_total             8642
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800018d-file005.cif
_cod_data_source_block           wai92
_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        4946.44(14)
_cod_database_code               4304917
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Ru1 Ru 0.38109(2) 0.401258(9) 0.135750(13) 0.01174(7) Uani 1 1 d . . .
Cl1 Cl 0.24804(6) 0.35412(3) 0.05138(4) 0.01789(17) Uani 1 1 d . . .
P1 P 0.49611(7) 0.48917(3) 0.25834(4) 0.01488(18) Uani 1 1 d . . .
P2 P 0.24192(7) 0.48623(3) 0.22806(4) 0.01413(17) Uani 1 1 d . . .
P3 P 0.44066(7) 0.28764(3) 0.21481(4) 0.01390(17) Uani 1 1 d . . .
P4 P 0.58581(7) 0.31848(3) 0.09909(4) 0.01336(17) Uani 1 1 d . . .
O1 O 0.50445(17) 0.43743(8) 0.21479(12) 0.0179(5) Uani 1 1 d . . .
O2 O 0.24590(17) 0.43306(8) 0.18708(11) 0.0165(5) Uani 1 1 d . . .
O3 O 0.38366(17) 0.34218(8) 0.21711(11) 0.0161(5) Uani 1 1 d . . .
O4 O 0.52139(17) 0.37168(8) 0.08709(11) 0.0146(4) Uani 1 1 d . . .
N1 N 0.3657(2) 0.51362(10) 0.25736(14) 0.0174(6) Uani 1 1 d . . .
N2 N 0.5402(2) 0.27902(10) 0.15902(14) 0.0168(6) Uani 1 1 d . . .
N3 N 0.3685(2) 0.46176(10) 0.06142(14) 0.0152(6) Uani 1 1 d . . .
C1 C 0.5901(3) 0.53720(12) 0.21868(16) 0.0162(7) Uani 1 1 d . . .
C2 C 0.7138(3) 0.53345(13) 0.23387(17) 0.0202(7) Uani 1 1 d . . .
H2A H 0.7485 0.5082 0.2701 0.024 Uiso 1 1 calc R . .
C3 C 0.7871(3) 0.56618(14) 0.19679(18) 0.0260(8) Uani 1 1 d . . .
H3A H 0.8717 0.5634 0.2079 0.031 Uiso 1 1 calc R . .
C4 C 0.7373(3) 0.60295(14) 0.14358(19) 0.0275(8) Uani 1 1 d . . .
H4A H 0.7875 0.6252 0.1178 0.033 Uiso 1 1 calc R . .
C5 C 0.6143(3) 0.60709(15) 0.1282(2) 0.0335(9) Uani 1 1 d . . .
H5A H 0.5800 0.6323 0.0918 0.040 Uiso 1 1 calc R . .
C6 C 0.5406(3) 0.57457(14) 0.16569(19) 0.0267(8) Uani 1 1 d . . .
H6A H 0.4561 0.5778 0.1551 0.032 Uiso 1 1 calc R . .
C7 C 0.5651(3) 0.47720(13) 0.35458(17) 0.0190(7) Uani 1 1 d . . .
C8 C 0.5849(3) 0.42591(14) 0.3820(2) 0.0324(9) Uani 1 1 d . . .
H8A H 0.5636 0.3965 0.3493 0.039 Uiso 1 1 calc R . .
C9 C 0.6358(4) 0.41759(17) 0.4573(2) 0.0466(11) Uani 1 1 d . . .
H9A H 0.6490 0.3825 0.4763 0.056 Uiso 1 1 calc R . .
C10 C 0.6670(4) 0.46036(17) 0.5043(2) 0.0447(11) Uani 1 1 d . . .
H10A H 0.7020 0.4546 0.5557 0.054 Uiso 1 1 calc R . .
C11 C 0.6483(3) 0.51100(16) 0.4780(2) 0.0373(10) Uani 1 1 d . . .
H11A H 0.6706 0.5401 0.5110 0.045 Uiso 1 1 calc R . .
C12 C 0.5970(3) 0.51990(14) 0.40338(19) 0.0283(8) Uani 1 1 d . . .
H12A H 0.5836 0.5551 0.3853 0.034 Uiso 1 1 calc R . .
C13 C 0.1560(3) 0.53348(12) 0.16693(17) 0.0173(7) Uani 1 1 d . . .
C14 C 0.1833(3) 0.58718(12) 0.17100(18) 0.0219(7) Uani 1 1 d . . .
H14A H 0.2490 0.5993 0.2059 0.026 Uiso 1 1 calc R . .
C15 C 0.1157(3) 0.62320(14) 0.12463(19) 0.0263(8) Uani 1 1 d . . .
H15A H 0.1340 0.6599 0.1288 0.032 Uiso 1 1 calc R . .
C16 C 0.0225(3) 0.60623(13) 0.07272(18) 0.0247(8) Uani 1 1 d . . .
H16A H -0.0229 0.6311 0.0405 0.030 Uiso 1 1 calc R . .
C17 C -0.0054(3) 0.55246(14) 0.06723(18) 0.0272(8) Uani 1 1 d . . .
H17A H -0.0699 0.5407 0.0311 0.033 Uiso 1 1 calc R . .
C18 C 0.0603(3) 0.51594(13) 0.11427(17) 0.0207(7) Uani 1 1 d . . .
H18A H 0.0406 0.4793 0.1108 0.025 Uiso 1 1 calc R . .
C19 C 0.1557(3) 0.47093(12) 0.30596(17) 0.0172(7) Uani 1 1 d . . .
C20 C 0.0641(3) 0.50211(13) 0.32625(18) 0.0226(7) Uani 1 1 d . . .
H20A H 0.0445 0.5345 0.2999 0.027 Uiso 1 1 calc R . .
C21 C -0.0002(3) 0.48609(15) 0.38564(18) 0.0278(8) Uani 1 1 d . . .
H21A H -0.0638 0.5074 0.3993 0.033 Uiso 1 1 calc R . .
C22 C 0.0285(3) 0.43973(14) 0.42402(19) 0.0296(8) Uani 1 1 d . . .
H22A H -0.0159 0.4289 0.4640 0.035 Uiso 1 1 calc R . .
C23 C 0.1212(3) 0.40867(14) 0.4051(2) 0.0296(8) Uani 1 1 d . . .
H23A H 0.1416 0.3769 0.4327 0.036 Uiso 1 1 calc R . .
C24 C 0.1846(3) 0.42378(13) 0.34590(18) 0.0215(7) Uani 1 1 d . . .
H24A H 0.2477 0.4021 0.3324 0.026 Uiso 1 1 calc R . .
C25 C 0.5073(3) 0.27277(12) 0.31078(17) 0.0166(7) Uani 1 1 d . . .
C26 C 0.4404(3) 0.27989(13) 0.37230(18) 0.0241(8) Uani 1 1 d . . .
H26A H 0.3592 0.2908 0.3629 0.029 Uiso 1 1 calc R . .
C27 C 0.4924(3) 0.27105(14) 0.44630(19) 0.0319(9) Uani 1 1 d . . .
H27A H 0.4469 0.2763 0.4878 0.038 Uiso 1 1 calc R . .
C28 C 0.6103(3) 0.25466(13) 0.46078(19) 0.0295(8) Uani 1 1 d . . .
H28A H 0.6459 0.2492 0.5121 0.035 Uiso 1 1 calc R . .
C29 C 0.6758(3) 0.24633(14) 0.4010(2) 0.0307(8) Uani 1 1 d . . .
H29A H 0.7560 0.2341 0.4108 0.037 Uiso 1 1 calc R . .
C30 C 0.6250(3) 0.25578(13) 0.32610(19) 0.0244(7) Uani 1 1 d . . .
H30A H 0.6713 0.2506 0.2850 0.029 Uiso 1 1 calc R . .
C31 C 0.3242(3) 0.23899(12) 0.19138(16) 0.0168(7) Uani 1 1 d . . .
C32 C 0.2043(3) 0.25323(13) 0.18932(17) 0.0212(7) Uani 1 1 d . . .
H32A H 0.1831 0.2885 0.2010 0.025 Uiso 1 1 calc R . .
C33 C 0.1159(3) 0.21549(14) 0.17005(18) 0.0266(8) Uani 1 1 d . . .
H33A H 0.0340 0.2250 0.1691 0.032 Uiso 1 1 calc R . .
C34 C 0.1462(3) 0.16426(14) 0.15230(18) 0.0284(8) Uani 1 1 d . . .
H34A H 0.0851 0.1388 0.1388 0.034 Uiso 1 1 calc R . .
C35 C 0.2642(3) 0.15016(14) 0.1541(2) 0.0332(9) Uani 1 1 d . . .
H35A H 0.2849 0.1150 0.1416 0.040 Uiso 1 1 calc R . .
C36 C 0.3531(3) 0.18734(13) 0.1744(2) 0.0277(8) Uani 1 1 d . . .
H36A H 0.4348 0.1773 0.1767 0.033 Uiso 1 1 calc R . .
C37 C 0.5758(3) 0.28602(12) 0.00717(17) 0.0164(7) Uani 1 1 d . . .
C38 C 0.5066(3) 0.24000(12) -0.00537(18) 0.0207(7) Uani 1 1 d . . .
H38A H 0.4704 0.2246 0.0355 0.025 Uiso 1 1 calc R . .
C39 C 0.4912(3) 0.21696(14) -0.0777(2) 0.0293(8) Uani 1 1 d . . .
H39A H 0.4441 0.1858 -0.0861 0.035 Uiso 1 1 calc R . .
C40 C 0.5437(3) 0.23895(14) -0.1377(2) 0.0302(8) Uani 1 1 d . . .
H40A H 0.5329 0.2228 -0.1869 0.036 Uiso 1 1 calc R . .
C41 C 0.6126(3) 0.28502(14) -0.12535(18) 0.0274(8) Uani 1 1 d . . .
H41A H 0.6487 0.3003 -0.1662 0.033 Uiso 1 1 calc R . .
C42 C 0.6276(3) 0.30798(13) -0.05403(17) 0.0201(7) Uani 1 1 d . . .
H42A H 0.6741 0.3394 -0.0461 0.024 Uiso 1 1 calc R . .
C43 C 0.7408(3) 0.33526(12) 0.12786(17) 0.0169(7) Uani 1 1 d . . .
C44 C 0.8356(3) 0.31589(13) 0.09257(18) 0.0203(7) Uani 1 1 d . . .
H44A H 0.8206 0.2911 0.0518 0.024 Uiso 1 1 calc R . .
C45 C 0.9520(3) 0.33225(13) 0.11595(18) 0.0245(8) Uani 1 1 d . . .
H45A H 1.0159 0.3193 0.0906 0.029 Uiso 1 1 calc R . .
C46 C 0.9748(3) 0.36746(13) 0.1762(2) 0.0263(8) Uani 1 1 d . . .
H46A H 1.0545 0.3787 0.1925 0.032 Uiso 1 1 calc R . .
C47 C 0.8816(3) 0.38624(14) 0.2127(2) 0.0285(8) Uani 1 1 d . . .
H47A H 0.8977 0.4099 0.2548 0.034 Uiso 1 1 calc R . .
C48 C 0.7653(3) 0.37104(13) 0.18873(18) 0.0238(7) Uani 1 1 d . . .
H48A H 0.7016 0.3849 0.2136 0.029 Uiso 1 1 calc R . .
C49 C 0.3439(3) 0.49440(13) 0.01772(18) 0.0183(7) Uani 1 1 d . . .
C50 C 0.3090(3) 0.53574(13) -0.03863(19) 0.0283(8) Uani 1 1 d . . .
H50A H 0.2893 0.5197 -0.0894 0.042 Uiso 1 1 calc R . .
H50B H 0.3754 0.5607 -0.0399 0.042 Uiso 1 1 calc R . .
H50C H 0.2389 0.5546 -0.0244 0.042 Uiso 1 1 calc R . .
C1S C 0.7105(4) 0.16291(15) 0.1505(2) 0.0429(10) Uani 1 1 d . . .
Cl2 Cl 0.60245(9) 0.11535(4) 0.11423(6) 0.0396(2) Uani 1 1 d . A .
Cl3A Cl 0.81887(10) 0.16773(4) 0.08271(7) 0.0521(3) Uani 0.95 1 d P A 1
Cl3B Cl 0.8399(14) 0.1754(7) 0.2047(9) 0.027(4) Uiso 0.05 1 d P A 2
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'
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'
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
N3 Ru1 O2 89.47(9) . . ?
N3 Ru1 O4 90.16(9) . . ?
O2 Ru1 O4 177.47(8) . . ?
N3 Ru1 O1 95.14(9) . . ?
O2 Ru1 O1 90.31(8) . . ?
O4 Ru1 O1 87.24(8) . . ?
N3 Ru1 O3 175.19(9) . . ?
O2 Ru1 O3 85.74(8) . . ?
O4 Ru1 O3 94.60(8) . . ?
O1 Ru1 O3 84.40(8) . . ?
N3 Ru1 Cl1 89.20(7) . . ?
O2 Ru1 Cl1 91.52(6) . . ?
O4 Ru1 Cl1 90.97(6) . . ?
O1 Ru1 Cl1 175.30(6) . . ?
O3 Ru1 Cl1 91.42(6) . . ?
O1 P1 N1 116.18(12) . . ?
O1 P1 C7 106.38(13) . . ?
N1 P1 C7 111.52(14) . . ?
O1 P1 C1 107.92(13) . . ?
N1 P1 C1 108.60(14) . . ?
C7 P1 C1 105.69(14) . . ?
O2 P2 N1 117.50(12) . . ?
O2 P2 C13 110.20(13) . . ?
N1 P2 C13 106.89(14) . . ?
O2 P2 C19 102.58(13) . . ?
N1 P2 C19 112.25(13) . . ?
C13 P2 C19 107.01(14) . . ?
O3 P3 N2 118.10(12) . . ?
O3 P3 C25 107.01(12) . . ?
N2 P3 C25 107.74(14) . . ?
O3 P3 C31 108.95(13) . . ?
N2 P3 C31 108.22(14) . . ?
C25 P3 C31 106.20(14) . . ?
O4 P4 N2 117.27(12) . . ?
O4 P4 C37 107.43(12) . . ?
N2 P4 C37 108.69(14) . . ?
O4 P4 C43 104.95(12) . . ?
N2 P4 C43 110.09(13) . . ?
C37 P4 C43 108.04(14) . . ?
P1 O1 Ru1 130.02(12) . . ?
P2 O2 Ru1 128.69(12) . . ?
P3 O3 Ru1 127.28(11) . . ?
P4 O4 Ru1 130.25(12) . . ?
P2 N1 P1 127.44(16) . . ?
P4 N2 P3 129.43(16) . . ?
C49 N3 Ru1 170.0(2) . . ?
C2 C1 C6 118.9(3) . . ?
C2 C1 P1 120.1(2) . . ?
C6 C1 P1 120.6(2) . . ?
C3 C2 C1 120.7(3) . . ?
C2 C3 C4 120.1(3) . . ?
C5 C4 C3 119.7(3) . . ?
C4 C5 C6 120.4(3) . . ?
C5 C6 C1 120.3(3) . . ?
C8 C7 C12 119.2(3) . . ?
C8 C7 P1 121.0(2) . . ?
C12 C7 P1 119.8(2) . . ?
C7 C8 C9 120.0(3) . . ?
C10 C9 C8 119.7(4) . . ?
C11 C10 C9 120.8(3) . . ?
C10 C11 C12 120.1(4) . . ?
C11 C12 C7 120.1(3) . . ?
C14 C13 C18 119.3(3) . . ?
C14 C13 P2 121.0(2) . . ?
C18 C13 P2 119.7(2) . . ?
C15 C14 C13 120.5(3) . . ?
C16 C15 C14 120.4(3) . . ?
C15 C16 C17 119.9(3) . . ?
C18 C17 C16 120.4(3) . . ?
C17 C18 C13 119.5(3) . . ?
C20 C19 C24 119.4(3) . . ?
C20 C19 P2 124.1(2) . . ?
C24 C19 P2 116.5(2) . . ?
C19 C20 C21 119.9(3) . . ?
C22 C21 C20 120.1(3) . . ?
C21 C22 C23 120.5(3) . . ?
C22 C23 C24 119.9(3) . . ?
C23 C24 C19 120.1(3) . . ?
C30 C25 C26 118.7(3) . . ?
C30 C25 P3 121.7(2) . . ?
C26 C25 P3 119.6(2) . . ?
C27 C26 C25 120.1(3) . . ?
C26 C27 C28 120.6(3) . . ?
C29 C28 C27 119.9(3) . . ?
C28 C29 C30 120.1(3) . . ?
C25 C30 C29 120.6(3) . . ?
C36 C31 C32 119.3(3) . . ?
C36 C31 P3 120.4(2) . . ?
C32 C31 P3 120.3(2) . . ?
C33 C32 C31 119.5(3) . . ?
C34 C33 C32 120.5(3) . . ?
C35 C34 C33 120.1(3) . . ?
C34 C35 C36 119.8(3) . . ?
C31 C36 C35 120.8(3) . . ?
C42 C37 C38 118.9(3) . . ?
C42 C37 P4 121.5(2) . . ?
C38 C37 P4 119.4(2) . . ?
C39 C38 C37 119.8(3) . . ?
C40 C39 C38 120.7(3) . . ?
C39 C40 C41 119.7(3) . . ?
C42 C41 C40 119.7(3) . . ?
C41 C42 C37 121.2(3) . . ?
C44 C43 C48 118.6(3) . . ?
C44 C43 P4 124.2(2) . . ?
C48 C43 P4 117.2(2) . . ?
C45 C44 C43 120.9(3) . . ?
C46 C45 C44 119.9(3) . . ?
C47 C46 C45 119.8(3) . . ?
C46 C47 C48 120.7(3) . . ?
C47 C48 C43 120.2(3) . . ?
N3 C49 C50 178.4(3) . . ?
Cl3B C1S Cl2 147.7(6) . . ?
Cl3B C1S Cl3A 75.6(6) . . ?
Cl2 C1S Cl3A 107.3(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
Ru1 N3 2.002(3) . ?
Ru1 O2 2.0262(19) . ?
Ru1 O4 2.0272(19) . ?
Ru1 O1 2.0523(19) . ?
Ru1 O3 2.0625(19) . ?
Ru1 Cl1 2.3034(7) . ?
P1 O1 1.522(2) . ?
P1 N1 1.590(3) . ?
P1 C7 1.796(3) . ?
P1 C1 1.803(3) . ?
P2 O2 1.526(2) . ?
P2 N1 1.583(3) . ?
P2 C13 1.804(3) . ?
P2 C19 1.813(3) . ?
P3 O3 1.521(2) . ?
P3 N2 1.590(2) . ?
P3 C25 1.798(3) . ?
P3 C31 1.806(3) . ?
P4 O4 1.528(2) . ?
P4 N2 1.579(2) . ?
P4 C37 1.801(3) . ?
P4 C43 1.805(3) . ?
N3 C49 1.136(4) . ?
C1 C2 1.388(4) . ?
C1 C6 1.392(4) . ?
C2 C3 1.385(4) . ?
C3 C4 1.385(5) . ?
C4 C5 1.381(5) . ?
C5 C6 1.389(5) . ?
C7 C8 1.389(5) . ?
C7 C12 1.396(4) . ?
C8 C9 1.391(5) . ?
C9 C10 1.378(5) . ?
C10 C11 1.366(5) . ?
C11 C12 1.383(5) . ?
C13 C14 1.390(4) . ?
C13 C18 1.402(4) . ?
C14 C15 1.384(4) . ?
C15 C16 1.370(5) . ?
C16 C17 1.394(5) . ?
C17 C18 1.389(4) . ?
C19 C20 1.378(4) . ?
C19 C24 1.399(4) . ?
C20 C21 1.399(4) . ?
C21 C22 1.369(5) . ?
C22 C23 1.377(5) . ?
C23 C24 1.385(5) . ?
C25 C30 1.386(4) . ?
C25 C26 1.401(4) . ?
C26 C27 1.376(4) . ?
C27 C28 1.383(5) . ?
C28 C29 1.370(5) . ?
C29 C30 1.389(5) . ?
C31 C36 1.384(4) . ?
C31 C32 1.392(4) . ?
C32 C33 1.388(4) . ?
C33 C34 1.382(5) . ?
C34 C35 1.371(5) . ?
C35 C36 1.386(5) . ?
C37 C42 1.399(4) . ?
C37 C38 1.400(4) . ?
C38 C39 1.388(4) . ?
C39 C40 1.385(5) . ?
C40 C41 1.399(5) . ?
C41 C42 1.371(4) . ?
C43 C44 1.387(4) . ?
C43 C48 1.400(4) . ?
C44 C45 1.386(4) . ?
C45 C46 1.382(5) . ?
C46 C47 1.377(5) . ?
C47 C48 1.379(4) . ?
C49 C50 1.458(4) . ?
C1S Cl3B 1.668(17) . ?
C1S Cl2 1.770(4) . ?
C1S Cl3A 1.810(4) . ?
