#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:46:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179814 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011040.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_7011040
loop_
_publ_author_name
'Wai-Kwok Wong'
'Xiao-Ping Chen'
'Jian-Ping Guo'
'Yong-Gui Chi'
'Wei-Xiong Pan'
'Wai-Yeung Wong'
_publ_section_title
;
 Synthesis, structure and catalytic activity of ruthenium
 diaminodiphosphine complexes
;
_journal_issue                   6
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              1139
_journal_page_last               1146
_journal_paper_doi               10.1039/b106997g
_journal_year                    2002
_chemical_formula_sum            'C58 H55 Cl2 N2 O2 P3 Ru'
_chemical_formula_weight         1076.92
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 104.775(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.8125(13)
_cell_length_b                   13.7088(10)
_cell_length_c                   22.0435(15)
_cell_measurement_temperature    293(2)
_cell_volume                     5204.8(6)
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Smart CCD'
_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  0.0828
_diffrn_reflns_av_sigmaI/netI    0.1786
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            30206
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    0.540
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.372
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2216
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.519
_refine_diff_density_min         -0.445
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       0.00015(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.784
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         11649
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.784
_refine_ls_R_factor_all          0.1449
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0265P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0741
_refine_ls_wR_factor_ref         0.0921
_reflns_number_gt                4880
_reflns_number_total             11649
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106997g.txt
_cod_data_source_block           p21c
_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_sg_symbol_H-M      P21/c
_cod_database_code               7011040
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.28577(2) -0.20429(2) 0.641926(14) 0.03527(11) Uani 1 1 d . . .
Cl1 Cl 0.15282(6) -0.15227(8) 0.60117(5) 0.0497(3) Uani 1 1 d . . .
Cl2 Cl 0.40933(6) -0.25705(7) 0.70584(4) 0.0471(3) Uani 1 1 d . . .
P1 P 0.13078(7) 0.12645(9) 0.72098(5) 0.0446(3) Uani 1 1 d . . .
P2 P 0.25411(8) -0.35316(9) 0.59562(5) 0.0502(3) Uani 1 1 d . . .
P3 P 0.34607(7) -0.13752(8) 0.56865(4) 0.0366(3) Uani 1 1 d . . .
O1 O 0.1168(2) 0.0260(2) 0.73648(14) 0.0816(10) Uani 1 1 d . . .
C1 C 0.0935(3) 0.1573(3) 0.64024(19) 0.0465(12) Uani 1 1 d . . .
C2 C 0.1174(3) 0.2380(4) 0.6138(2) 0.0864(19) Uani 1 1 d . . .
H2A H 0.1571 0.2766 0.6374 0.104 Uiso 1 1 calc R . .
C3 C 0.0825(4) 0.2625(4) 0.5516(3) 0.109(2) Uani 1 1 d . . .
H3A H 0.0991 0.3171 0.5335 0.131 Uiso 1 1 calc R . .
C4 C 0.0242(4) 0.2061(5) 0.5178(2) 0.0907(19) Uani 1 1 d . . .
H4A H -0.0004 0.2236 0.4767 0.109 Uiso 1 1 calc R . .
C5 C 0.0017(3) 0.1261(4) 0.5424(3) 0.0844(18) Uani 1 1 d . . .
H5A H -0.0370 0.0867 0.5182 0.101 Uiso 1 1 calc R . .
C6 C 0.0357(3) 0.1019(4) 0.6034(2) 0.0689(15) Uani 1 1 d . . .
H6A H 0.0190 0.0463 0.6203 0.083 Uiso 1 1 calc R . .
C7 C 0.0839(2) 0.2081(3) 0.76378(19) 0.0460(11) Uani 1 1 d . . .
C8 C 0.0891(4) 0.1862(4) 0.8243(3) 0.136(3) Uani 1 1 d . . .
H8A H 0.1167 0.1311 0.8418 0.164 Uiso 1 1 calc R . .
C9 C 0.0543(6) 0.2435(5) 0.8610(3) 0.173(4) Uani 1 1 d . . .
H9A H 0.0608 0.2284 0.9032 0.207 Uiso 1 1 calc R . .
C10 C 0.0113(4) 0.3207(5) 0.8360(3) 0.100(2) Uani 1 1 d . . .
H10A H -0.0143 0.3574 0.8599 0.120 Uiso 1 1 calc R . .
C11 C 0.0059(3) 0.3436(4) 0.7779(3) 0.099(2) Uani 1 1 d . . .
H11A H -0.0222 0.3986 0.7609 0.119 Uiso 1 1 calc R . .
C12 C 0.0416(3) 0.2872(4) 0.7405(2) 0.092(2) Uani 1 1 d . . .
H12A H 0.0361 0.3046 0.6988 0.110 Uiso 1 1 calc R . .
C13 C 0.2324(2) 0.1610(3) 0.74097(17) 0.0369(10) Uani 1 1 d . . .
C14 C 0.2564(3) 0.2408(3) 0.78066(19) 0.0551(13) Uani 1 1 d . . .
H14A H 0.2197 0.2760 0.7950 0.066 Uiso 1 1 calc R . .
C15 C 0.3329(3) 0.2680(3) 0.7988(2) 0.0700(15) Uani 1 1 d . . .
H15A H 0.3475 0.3221 0.8246 0.084 Uiso 1 1 calc R . .
C16 C 0.3879(3) 0.2158(4) 0.7790(2) 0.0695(15) Uani 1 1 d . . .
H16A H 0.4401 0.2326 0.7922 0.083 Uiso 1 1 calc R . .
C17 C 0.3644(3) 0.1381(3) 0.7394(2) 0.0544(13) Uani 1 1 d . . .
H17A H 0.4017 0.1038 0.7253 0.065 Uiso 1 1 calc R . .
C18 C 0.2877(2) 0.1085(3) 0.71945(17) 0.0364(10) Uani 1 1 d . . .
C19 C 0.2694(2) 0.0227(3) 0.67483(16) 0.0396(11) Uani 1 1 d . . .
H19A H 0.2135 0.0157 0.6606 0.047 Uiso 1 1 calc R . .
H19B H 0.2886 0.0369 0.6383 0.047 Uiso 1 1 calc R . .
C20 C 0.2766(3) -0.0911(3) 0.76039(18) 0.0566(13) Uani 1 1 d . . .
H20A H 0.3096 -0.0558 0.7953 0.068 Uiso 1 1 calc R . .
H20B H 0.2239 -0.0674 0.7545 0.068 Uiso 1 1 calc R . .
C21 C 0.2794(3) -0.1975(3) 0.77534(18) 0.0614(14) Uani 1 1 d . . .
H21A H 0.3330 -0.2185 0.7901 0.074 Uiso 1 1 calc R . .
H21B H 0.2535 -0.2097 0.8083 0.074 Uiso 1 1 calc R . .
C22 C 0.2336(3) -0.3570(4) 0.7308(2) 0.0795(17) Uani 1 1 d . . .
H22A H 0.2236 -0.3658 0.7717 0.095 Uiso 1 1 calc R . .
H22B H 0.2821 -0.3895 0.7313 0.095 Uiso 1 1 calc R . .
C23 C 0.1686(3) -0.4036(4) 0.6813(3) 0.0752(16) Uani 1 1 d . . .
C24 C 0.1067(4) -0.4427(4) 0.7002(3) 0.104(2) Uani 1 1 d . . .
H24A H 0.1073 -0.4429 0.7425 0.125 Uiso 1 1 calc R . .
C25 C 0.0452(4) -0.4810(5) 0.6575(4) 0.117(3) Uani 1 1 d . . .
H25A H 0.0045 -0.5088 0.6708 0.141 Uiso 1 1 calc R . .
C26 C 0.0425(4) -0.4788(4) 0.5946(3) 0.108(2) Uani 1 1 d . . .
H26A H -0.0003 -0.5030 0.5649 0.130 Uiso 1 1 calc R . .
C27 C 0.1047(3) -0.4400(4) 0.5768(2) 0.0822(18) Uani 1 1 d . . .
H27A H 0.1033 -0.4393 0.5343 0.099 Uiso 1 1 calc R . .
C28 C 0.1691(3) -0.4020(3) 0.6186(2) 0.0605(14) Uani 1 1 d . . .
C29 C 0.3213(3) -0.4559(3) 0.6179(2) 0.0601(14) Uani 1 1 d . . .
C30 C 0.3990(3) -0.4434(3) 0.6195(2) 0.0618(14) Uani 1 1 d . . .
H30A H 0.4160 -0.3835 0.6083 0.074 Uiso 1 1 calc R . .
C31 C 0.4524(3) -0.5202(4) 0.6379(2) 0.0775(17) Uani 1 1 d . . .
H31A H 0.5046 -0.5108 0.6397 0.093 Uiso 1 1 calc R . .
C32 C 0.4269(5) -0.6088(5) 0.6531(3) 0.105(2) Uani 1 1 d . . .
H32A H 0.4618 -0.6600 0.6653 0.126 Uiso 1 1 calc R . .
C33 C 0.3504(5) -0.6218(5) 0.6504(3) 0.123(3) Uani 1 1 d . . .
H33A H 0.3330 -0.6823 0.6602 0.148 Uiso 1 1 calc R . .
C34 C 0.2989(4) -0.5468(4) 0.6334(3) 0.101(2) Uani 1 1 d . . .
H34A H 0.2470 -0.5573 0.6323 0.121 Uiso 1 1 calc R . .
C35 C 0.2210(3) -0.3679(4) 0.5103(2) 0.0552(13) Uani 1 1 d . . .
C36 C 0.1745(3) -0.2972(4) 0.4762(2) 0.0641(14) Uani 1 1 d . . .
H36A H 0.1619 -0.2423 0.4963 0.077 Uiso 1 1 calc R . .
C37 C 0.1458(3) -0.3070(5) 0.4113(2) 0.0855(18) Uani 1 1 d . . .
H37A H 0.1150 -0.2582 0.3882 0.103 Uiso 1 1 calc R . .
C38 C 0.1630(4) -0.3878(6) 0.3821(3) 0.097(2) Uani 1 1 d . . .
H38A H 0.1424 -0.3956 0.3391 0.116 Uiso 1 1 calc R . .
C39 C 0.2107(4) -0.4579(5) 0.4156(3) 0.092(2) Uani 1 1 d . . .
H39A H 0.2235 -0.5121 0.3950 0.111 Uiso 1 1 calc R . .
C40 C 0.2397(3) -0.4492(4) 0.4793(2) 0.0780(17) Uani 1 1 d . . .
H40A H 0.2718 -0.4975 0.5017 0.094 Uiso 1 1 calc R . .
C41 C 0.2908(3) -0.0789(3) 0.49546(17) 0.0423(11) Uani 1 1 d . . .
C42 C 0.2211(3) -0.0340(3) 0.4939(2) 0.0625(14) Uani 1 1 d . . .
H42A H 0.2003 -0.0385 0.5284 0.075 Uiso 1 1 calc R . .
C43 C 0.1814(3) 0.0181(4) 0.4413(2) 0.0897(19) Uani 1 1 d . . .
H43A H 0.1345 0.0482 0.4410 0.108 Uiso 1 1 calc R . .
C44 C 0.2111(4) 0.0252(4) 0.3900(2) 0.090(2) Uani 1 1 d . . .
H44A H 0.1839 0.0587 0.3545 0.108 Uiso 1 1 calc R . .
C45 C 0.2808(4) -0.0173(4) 0.3912(2) 0.0800(18) Uani 1 1 d . . .
H45A H 0.3016 -0.0108 0.3568 0.096 Uiso 1 1 calc R . .
C46 C 0.3209(3) -0.0699(3) 0.44317(19) 0.0581(14) Uani 1 1 d . . .
H46A H 0.3679 -0.0993 0.4431 0.070 Uiso 1 1 calc R . .
C47 C 0.4148(2) -0.0369(3) 0.60021(18) 0.0378(10) Uani 1 1 d . . .
C48 C 0.4698(2) -0.0452(3) 0.65813(18) 0.0441(11) Uani 1 1 d . . .
H48A H 0.4705 -0.1014 0.6818 0.053 Uiso 1 1 calc R . .
C49 C 0.5227(3) 0.0277(4) 0.6809(2) 0.0546(13) Uani 1 1 d . . .
H49A H 0.5585 0.0199 0.7195 0.066 Uiso 1 1 calc R . .
C50 C 0.5229(3) 0.1112(4) 0.6474(2) 0.0656(15) Uani 1 1 d . . .
H50A H 0.5595 0.1595 0.6626 0.079 Uiso 1 1 calc R . .
C51 C 0.4695(3) 0.1235(4) 0.5917(2) 0.0777(17) Uani 1 1 d . . .
H51A H 0.4687 0.1814 0.5695 0.093 Uiso 1 1 calc R . .
C52 C 0.4160(3) 0.0500(3) 0.56747(19) 0.0612(14) Uani 1 1 d . . .
H52A H 0.3805 0.0591 0.5289 0.073 Uiso 1 1 calc R . .
C53 C 0.4103(3) -0.2189(3) 0.53848(18) 0.0418(11) Uani 1 1 d . . .
C54 C 0.4889(3) -0.2288(3) 0.56721(19) 0.0526(13) Uani 1 1 d . . .
H54A H 0.5114 -0.1881 0.6006 0.063 Uiso 1 1 calc R . .
C55 C 0.5346(3) -0.2971(4) 0.5478(2) 0.0691(15) Uani 1 1 d . . .
H55A H 0.5870 -0.3024 0.5682 0.083 Uiso 1 1 calc R . .
C56 C 0.5024(4) -0.3574(3) 0.4980(2) 0.0716(16) Uani 1 1 d . . .
H56A H 0.5325 -0.4051 0.4856 0.086 Uiso 1 1 calc R . .
C57 C 0.4258(4) -0.3470(3) 0.4667(2) 0.0668(15) Uani 1 1 d . . .
H57A H 0.4047 -0.3857 0.4319 0.080 Uiso 1 1 calc R . .
C58 C 0.3802(3) -0.2799(3) 0.48644(19) 0.0536(13) Uani 1 1 d . . .
H58A H 0.3281 -0.2744 0.4650 0.064 Uiso 1 1 calc R . .
N1 N 0.30318(19) -0.0718(2) 0.70227(13) 0.0385(9) Uani 1 1 d . . .
H1A H 0.3554 -0.0624 0.7152 0.046 Uiso 1 1 calc R . .
N2 N 0.2412(2) -0.2520(3) 0.71930(14) 0.0472(10) Uani 1 1 d . . .
H2B H 0.1915 -0.2295 0.7096 0.057 Uiso 1 1 calc R . .
OW1 O 0.2629(10) 0.2870(12) 0.4530(7) 0.322(8) Uiso 0.50 1 d P . .
OW2 O 0.2655(12) 0.2231(13) 0.5462(9) 0.380(10) Uiso 0.50 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'
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
N2 Ru1 N1 78.34(12) . . ?
N2 Ru1 P2 89.09(10) . . ?
N1 Ru1 P2 167.35(8) . . ?
N2 Ru1 P3 171.59(10) . . ?
N1 Ru1 P3 94.29(8) . . ?
P2 Ru1 P3 98.35(4) . . ?
N2 Ru1 Cl2 84.93(9) . . ?
N1 Ru1 Cl2 85.87(8) . . ?
P2 Ru1 Cl2 94.47(4) . . ?
P3 Ru1 Cl2 90.54(4) . . ?
N2 Ru1 Cl1 81.97(9) . . ?
N1 Ru1 Cl1 87.44(9) . . ?
P2 Ru1 Cl1 89.47(4) . . ?
P3 Ru1 Cl1 101.92(4) . . ?
Cl2 Ru1 Cl1 166.26(4) . . ?
O1 P1 C1 114.6(2) . . ?
O1 P1 C7 109.6(2) . . ?
C1 P1 C7 105.7(2) . . ?
O1 P1 C13 114.20(19) . . ?
C1 P1 C13 106.0(2) . . ?
C7 P1 C13 106.14(19) . . ?
C35 P2 C29 101.9(2) . . ?
C35 P2 C28 99.8(2) . . ?
C29 P2 C28 100.0(2) . . ?
C35 P2 Ru1 122.32(16) . . ?
C29 P2 Ru1 119.77(17) . . ?
C28 P2 Ru1 109.13(17) . . ?
C53 P3 C41 100.97(19) . . ?
C53 P3 C47 100.06(19) . . ?
C41 P3 C47 99.05(18) . . ?
C53 P3 Ru1 116.70(12) . . ?
C41 P3 Ru1 122.48(15) . . ?
C47 P3 Ru1 113.95(12) . . ?
C6 C1 C2 117.7(4) . . ?
C6 C1 P1 119.5(4) . . ?
C2 C1 P1 122.7(4) . . ?
C1 C2 C3 120.4(5) . . ?
C4 C3 C2 119.3(5) . . ?
C5 C4 C3 121.0(5) . . ?
C4 C5 C6 119.8(5) . . ?
C1 C6 C5 121.8(5) . . ?
C12 C7 C8 116.6(5) . . ?
C12 C7 P1 126.2(4) . . ?
C8 C7 P1 117.1(4) . . ?
C7 C8 C9 121.7(6) . . ?
C10 C9 C8 120.0(6) . . ?
C11 C10 C9 119.3(6) . . ?
C10 C11 C12 121.3(6) . . ?
C7 C12 C11 121.0(5) . . ?
C14 C13 C18 119.1(4) . . ?
C14 C13 P1 118.9(3) . . ?
C18 C13 P1 122.0(3) . . ?
C15 C14 C13 121.2(4) . . ?
C14 C15 C16 120.2(5) . . ?
C15 C16 C17 118.7(5) . . ?
C16 C17 C18 123.1(4) . . ?
C17 C18 C13 117.7(4) . . ?
C17 C18 C19 117.8(4) . . ?
C13 C18 C19 124.5(4) . . ?
N1 C19 C18 114.4(3) . . ?
C21 C20 N1 111.1(3) . . ?
N2 C21 C20 109.4(3) . . ?
N2 C22 C23 112.0(4) . . ?
C24 C23 C28 121.1(5) . . ?
C24 C23 C22 117.9(5) . . ?
C28 C23 C22 120.9(5) . . ?
C25 C24 C23 120.5(6) . . ?
C24 C25 C26 120.4(6) . . ?
C27 C26 C25 118.2(6) . . ?
C26 C27 C28 123.4(5) . . ?
C27 C28 C23 116.4(5) . . ?
C27 C28 P2 123.8(4) . . ?
C23 C28 P2 119.8(4) . . ?
C34 C29 C30 117.2(5) . . ?
C34 C29 P2 123.3(5) . . ?
C30 C29 P2 119.4(4) . . ?
C29 C30 C31 120.8(5) . . ?
C32 C31 C30 119.5(6) . . ?
C33 C32 C31 119.8(6) . . ?
C32 C33 C34 120.6(7) . . ?
C33 C34 C29 122.1(6) . . ?
C36 C35 C40 119.0(4) . . ?
C36 C35 P2 118.5(4) . . ?
C40 C35 P2 122.5(4) . . ?
C35 C36 C37 120.4(5) . . ?
C38 C37 C36 119.8(6) . . ?
C37 C38 C39 120.1(6) . . ?
C38 C39 C40 120.9(6) . . ?
C39 C40 C35 119.8(5) . . ?
C42 C41 C46 118.2(4) . . ?
C42 C41 P3 119.5(3) . . ?
C46 C41 P3 122.0(4) . . ?
C41 C42 C43 120.9(5) . . ?
C44 C43 C42 120.3(5) . . ?
C45 C44 C43 119.6(5) . . ?
C44 C45 C46 120.8(5) . . ?
C45 C46 C41 120.1(5) . . ?
C52 C47 C48 116.1(4) . . ?
C52 C47 P3 122.4(3) . . ?
C48 C47 P3 121.5(3) . . ?
C49 C48 C47 121.8(4) . . ?
C50 C49 C48 120.5(4) . . ?
C51 C50 C49 119.8(5) . . ?
C50 C51 C52 120.5(5) . . ?
C47 C52 C51 121.2(4) . . ?
C54 C53 C58 116.3(4) . . ?
C54 C53 P3 122.9(3) . . ?
C58 C53 P3 120.7(4) . . ?
C55 C54 C53 122.1(4) . . ?
C56 C55 C54 119.7(5) . . ?
C57 C56 C55 119.9(5) . . ?
C56 C57 C58 120.4(5) . . ?
C57 C58 C53 121.5(5) . . ?
C19 N1 C20 108.5(3) . . ?
C19 N1 Ru1 119.1(2) . . ?
C20 N1 Ru1 109.9(2) . . ?
C21 N2 C22 113.5(3) . . ?
C21 N2 Ru1 109.2(3) . . ?
C22 N2 Ru1 120.1(3) . . ?
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 N2 2.158(3) . ?
Ru1 N1 2.226(3) . ?
Ru1 P2 2.2873(12) . ?
Ru1 P3 2.3422(11) . ?
Ru1 Cl2 2.4022(11) . ?
Ru1 Cl1 2.4164(11) . ?
P1 O1 1.456(3) . ?
P1 C1 1.785(4) . ?
P1 C7 1.801(4) . ?
P1 C13 1.813(4) . ?
P2 C35 1.833(4) . ?
P2 C29 1.833(5) . ?
P2 C28 1.840(5) . ?
P3 C53 1.840(4) . ?
P3 C41 1.846(4) . ?
P3 C47 1.857(4) . ?
C1 C6 1.367(5) . ?
C1 C2 1.368(6) . ?
C2 C3 1.395(6) . ?
C3 C4 1.356(7) . ?
C4 C5 1.329(6) . ?
C5 C6 1.368(6) . ?
C7 C12 1.345(6) . ?
C7 C8 1.347(5) . ?
C8 C9 1.382(7) . ?
C9 C10 1.340(8) . ?
C10 C11 1.296(6) . ?
C11 C12 1.397(6) . ?
C13 C14 1.398(5) . ?
C13 C18 1.398(5) . ?
C14 C15 1.371(6) . ?
C15 C16 1.372(6) . ?
C16 C17 1.373(5) . ?
C17 C18 1.384(5) . ?
C18 C19 1.514(5) . ?
C19 N1 1.490(4) . ?
C20 C21 1.494(5) . ?
C20 N1 1.498(4) . ?
C21 N2 1.455(4) . ?
C22 N2 1.474(5) . ?
C22 C23 1.515(6) . ?
C23 C24 1.382(7) . ?
C23 C28 1.384(6) . ?
C24 C25 1.354(7) . ?
C25 C26 1.377(7) . ?
C26 C27 1.373(7) . ?
C27 C28 1.378(6) . ?
C29 C34 1.378(6) . ?
C29 C30 1.385(6) . ?
C30 C31 1.408(6) . ?
C31 C32 1.368(7) . ?
C32 C33 1.361(8) . ?
C33 C34 1.365(7) . ?
C35 C36 1.369(6) . ?
C35 C40 1.392(6) . ?
C36 C37 1.398(5) . ?
C37 C38 1.355(7) . ?
C38 C39 1.367(7) . ?
C39 C40 1.371(6) . ?
C41 C42 1.379(6) . ?
C41 C46 1.395(5) . ?
C42 C43 1.391(5) . ?
C43 C44 1.367(7) . ?
C44 C45 1.365(7) . ?
C45 C46 1.387(6) . ?
C47 C52 1.396(5) . ?
C47 C48 1.402(5) . ?
C48 C49 1.378(5) . ?
C49 C50 1.363(5) . ?
C50 C51 1.359(6) . ?
C51 C52 1.397(6) . ?
C53 C54 1.388(5) . ?
C53 C58 1.410(5) . ?
C54 C55 1.378(5) . ?
C55 C56 1.378(6) . ?
C56 C57 1.369(6) . ?
C57 C58 1.371(6) . ?
