#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011041.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_7011041
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            'C59.5 H56.5 Cl2 N2 O2 P3 Ru'
_chemical_formula_weight         1096.44
_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                107.0060(10)
_cell_angle_beta                 100.1580(10)
_cell_angle_gamma                112.8600(10)
_cell_formula_units_Z            2
_cell_length_a                   14.6405(9)
_cell_length_b                   14.7995(9)
_cell_length_c                   16.0938(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2901.5(3)
_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 0.931
_diffrn_measured_fraction_theta_max 0.931
_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  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0667
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            17170
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    0.486
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1122
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.391
_refine_diff_density_rms         0.109
_refine_ls_extinction_coef       0.0067(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   0.986
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     626
_refine_ls_number_reflns         12464
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0427
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0618P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1244
_reflns_number_gt                8749
_reflns_number_total             12464
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106997g.txt
_cod_data_source_block           p-1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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      P-1
_cod_original_formula_sum        'C59.50 H56.5 Cl2 N2 O2 P3 Ru'
_cod_database_code               7011041
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
Ru1 Ru 0.595661(19) 0.88287(2) 0.673387(17) 0.03012(9) Uani 1 1 d . . .
Cl1 Cl 0.53272(7) 0.94830(7) 0.79422(5) 0.0392(2) Uani 1 1 d . . .
Cl2 Cl 0.62206(7) 0.78752(7) 0.53576(6) 0.0425(2) Uani 1 1 d . . .
P1 P 0.18304(7) 0.65673(7) 0.71141(6) 0.0411(2) Uani 1 1 d . . .
P2 P 0.71852(7) 1.05486(7) 0.71666(6) 0.0355(2) Uani 1 1 d . . .
P3 P 0.69924(7) 0.82892(7) 0.75596(6) 0.0339(2) Uani 1 1 d . . .
N1 N 0.44720(19) 0.7300(2) 0.61987(17) 0.0352(6) Uani 1 1 d . . .
H1A H 0.4595 0.6792 0.5834 0.042 Uiso 1 1 calc R . .
N2 N 0.4965(2) 0.9153(2) 0.59198(18) 0.0369(6) Uani 1 1 d . . .
O1 O 0.1924(2) 0.7391(2) 0.67352(18) 0.0555(7) Uani 1 1 d . . .
C1 C 0.0515(3) 0.5909(3) 0.7146(3) 0.0475(9) Uani 1 1 d . . .
C2 C 0.0300(3) 0.5610(4) 0.7854(3) 0.0692(13) Uani 1 1 d . . .
H2A H 0.0844 0.5714 0.8330 0.083 Uiso 1 1 calc R . .
C3 C -0.0731(4) 0.5151(4) 0.7858(4) 0.0960(19) Uani 1 1 d . . .
H3A H -0.0876 0.4940 0.8330 0.115 Uiso 1 1 calc R . .
C4 C -0.1525(4) 0.5015(4) 0.7168(5) 0.099(2) Uani 1 1 d . . .
H4A H -0.2211 0.4718 0.7174 0.119 Uiso 1 1 calc R . .
C5 C -0.1317(4) 0.5312(4) 0.6469(5) 0.0881(17) Uani 1 1 d . . .
H5A H -0.1860 0.5217 0.5998 0.106 Uiso 1 1 calc R . .
C6 C -0.0303(3) 0.5751(3) 0.6462(3) 0.0670(12) Uani 1 1 d . . .
H6A H -0.0169 0.5946 0.5980 0.080 Uiso 1 1 calc R . .
C7 C 0.2704(3) 0.7119(3) 0.8279(2) 0.0425(8) Uani 1 1 d . . .
C8 C 0.3059(3) 0.8180(3) 0.8812(3) 0.0547(10) Uani 1 1 d . . .
H8A H 0.2851 0.8593 0.8567 0.066 Uiso 1 1 calc R . .
C9 C 0.3720(4) 0.8637(4) 0.9706(3) 0.0716(14) Uani 1 1 d . . .
H9A H 0.3968 0.9358 1.0058 0.086 Uiso 1 1 calc R . .
C10 C 0.4009(4) 0.8030(4) 1.0072(3) 0.0750(15) Uani 1 1 d . . .
H10A H 0.4432 0.8332 1.0684 0.090 Uiso 1 1 calc R . .
C11 C 0.3684(4) 0.6981(4) 0.9548(3) 0.0790(14) Uani 1 1 d . . .
H11A H 0.3901 0.6576 0.9798 0.095 Uiso 1 1 calc R . .
C12 C 0.3033(3) 0.6521(4) 0.8645(3) 0.0635(12) Uani 1 1 d . . .
H12A H 0.2818 0.5809 0.8286 0.076 Uiso 1 1 calc R . .
C13 C 0.2096(3) 0.5534(3) 0.6456(2) 0.0407(8) Uani 1 1 d . . .
C14 C 0.1301(3) 0.4480(3) 0.6016(3) 0.0561(11) Uani 1 1 d . . .
H14A H 0.0637 0.4322 0.6062 0.067 Uiso 1 1 calc R . .
C15 C 0.1469(3) 0.3670(3) 0.5519(3) 0.0681(13) Uani 1 1 d . . .
H15A H 0.0917 0.2978 0.5215 0.082 Uiso 1 1 calc R . .
C16 C 0.2450(3) 0.3879(3) 0.5469(3) 0.0636(12) Uani 1 1 d . . .
H16A H 0.2577 0.3331 0.5148 0.076 Uiso 1 1 calc R . .
C17 C 0.3244(3) 0.4914(3) 0.5901(3) 0.0516(10) Uani 1 1 d . . .
H17A H 0.3908 0.5053 0.5863 0.062 Uiso 1 1 calc R . .
C18 C 0.3100(3) 0.5756(3) 0.6389(2) 0.0386(8) Uani 1 1 d . . .
C19 C 0.4038(3) 0.6877(3) 0.6849(2) 0.0394(8) Uani 1 1 d . . .
H19A H 0.3826 0.7363 0.7208 0.047 Uiso 1 1 calc R . .
H19B H 0.4590 0.6864 0.7271 0.047 Uiso 1 1 calc R . .
C20 C 0.3657(3) 0.7389(3) 0.5580(2) 0.0459(9) Uani 1 1 d . . .
H20A H 0.3257 0.7628 0.5927 0.055 Uiso 1 1 calc R . .
H20B H 0.3178 0.6692 0.5094 0.055 Uiso 1 1 calc R . .
C21 C 0.4148(3) 0.8166(3) 0.5160(2) 0.0453(9) Uani 1 1 d . . .
H21A H 0.4451 0.7879 0.4729 0.054 Uiso 1 1 calc R . .
H21B H 0.3624 0.8301 0.4835 0.054 Uiso 1 1 calc R . .
C22 C 0.4867(3) 0.9997(3) 0.6049(2) 0.0453(9) Uani 1 1 d . . .
H22A H 0.4314 0.9940 0.5614 0.054 Uiso 1 1 calc R . .
C23 C 0.5527(3) 1.1045(3) 0.6802(3) 0.0448(9) Uani 1 1 d . . .
C24 C 0.5055(4) 1.1717(4) 0.6944(3) 0.0626(12) Uani 1 1 d . . .
H24A H 0.4390 1.1489 0.6550 0.075 Uiso 1 1 calc R . .
C25 C 0.5565(5) 1.2709(4) 0.7657(4) 0.0735(14) Uani 1 1 d . . .
H25A H 0.5240 1.3141 0.7755 0.088 Uiso 1 1 calc R . .
C26 C 0.6558(4) 1.3058(4) 0.8224(3) 0.0704(13) Uani 1 1 d . . .
H26A H 0.6909 1.3734 0.8701 0.084 Uiso 1 1 calc R . .
C27 C 0.7038(3) 1.2416(3) 0.8091(3) 0.0555(10) Uani 1 1 d . . .
H27A H 0.7711 1.2667 0.8481 0.067 Uiso 1 1 calc R . .
C28 C 0.6537(3) 1.1397(3) 0.7385(2) 0.0431(9) Uani 1 1 d . . .
C29 C 0.8305(3) 1.1218(3) 0.8231(2) 0.0444(9) Uani 1 1 d . . .
C30 C 0.9333(3) 1.1605(4) 0.8249(3) 0.0693(13) Uani 1 1 d . . .
H30A H 0.9481 1.1534 0.7702 0.083 Uiso 1 1 calc R . .
C31 C 1.0145(4) 1.2096(5) 0.9074(4) 0.0937(18) Uani 1 1 d . . .
H31A H 1.0837 1.2343 0.9080 0.112 Uiso 1 1 calc R . .
C32 C 0.9929(5) 1.2218(4) 0.9875(4) 0.0914(18) Uani 1 1 d . . .
H32A H 1.0479 1.2564 1.0429 0.110 Uiso 1 1 calc R . .
C33 C 0.8913(4) 1.1838(4) 0.9880(3) 0.0771(14) Uani 1 1 d . . .
H33A H 0.8769 1.1922 1.0430 0.092 Uiso 1 1 calc R . .
C34 C 0.8116(3) 1.1332(3) 0.9055(3) 0.0567(11) Uani 1 1 d . . .
H34A H 0.7425 1.1058 0.9051 0.068 Uiso 1 1 calc R . .
C35 C 0.7781(3) 1.1044(3) 0.6358(2) 0.0408(8) Uani 1 1 d . . .
C36 C 0.8299(3) 1.2147(3) 0.6574(3) 0.0599(11) Uani 1 1 d . . .
H36A H 0.8394 1.2626 0.7146 0.072 Uiso 1 1 calc R . .
C37 C 0.8667(3) 1.2527(4) 0.5957(3) 0.0689(13) Uani 1 1 d . . .
H37A H 0.9007 1.3260 0.6112 0.083 Uiso 1 1 calc R . .
C38 C 0.8540(3) 1.1841(4) 0.5119(3) 0.0641(12) Uani 1 1 d . . .
H38A H 0.8792 1.2104 0.4703 0.077 Uiso 1 1 calc R . .
C39 C 0.8041(3) 1.0763(4) 0.4890(3) 0.0641(12) Uani 1 1 d . . .
H39A H 0.7957 1.0293 0.4318 0.077 Uiso 1 1 calc R . .
C40 C 0.7659(3) 1.0369(3) 0.5508(3) 0.0502(10) Uani 1 1 d . . .
H40A H 0.7314 0.9634 0.5343 0.060 Uiso 1 1 calc R . .
C41 C 0.8237(3) 0.8468(3) 0.7358(2) 0.0398(8) Uani 1 1 d . . .
C42 C 0.8642(3) 0.9065(3) 0.6870(3) 0.0525(10) Uani 1 1 d . . .
H42A H 0.8284 0.9390 0.6648 0.063 Uiso 1 1 calc R . .
C43 C 0.9583(3) 0.9188(4) 0.6705(3) 0.0699(13) Uani 1 1 d . . .
H43A H 0.9844 0.9592 0.6376 0.084 Uiso 1 1 calc R . .
C44 C 1.0117(4) 0.8715(4) 0.7028(3) 0.0759(15) Uani 1 1 d . . .
H44A H 1.0744 0.8800 0.6923 0.091 Uiso 1 1 calc R . .
C45 C 0.9716(3) 0.8104(4) 0.7517(3) 0.0679(13) Uani 1 1 d . . .
H45A H 1.0077 0.7783 0.7742 0.081 Uiso 1 1 calc R . .
C46 C 0.8786(3) 0.7978(3) 0.7665(3) 0.0536(10) Uani 1 1 d . . .
H46A H 0.8517 0.7555 0.7979 0.064 Uiso 1 1 calc R . .
C47 C 0.6412(3) 0.6833(3) 0.7263(2) 0.0381(8) Uani 1 1 d . . .
C48 C 0.6248(3) 0.6164(3) 0.6389(2) 0.0446(9) Uani 1 1 d . . .
H48A H 0.6419 0.6455 0.5964 0.053 Uiso 1 1 calc R . .
C49 C 0.5833(3) 0.5067(3) 0.6126(3) 0.0501(9) Uani 1 1 d . . .
H49A H 0.5725 0.4634 0.5529 0.060 Uiso 1 1 calc R . .
C50 C 0.5587(4) 0.4628(3) 0.6728(3) 0.0684(13) Uani 1 1 d . . .
H50A H 0.5308 0.3892 0.6551 0.082 Uiso 1 1 calc R . .
C51 C 0.5749(5) 0.5272(4) 0.7609(3) 0.097(2) Uani 1 1 d . . .
H51A H 0.5577 0.4971 0.8028 0.116 Uiso 1 1 calc R . .
C52 C 0.6171(4) 0.6374(3) 0.7876(3) 0.0718(14) Uani 1 1 d . . .
H52A H 0.6289 0.6805 0.8477 0.086 Uiso 1 1 calc R . .
C53 C 0.7348(3) 0.8788(3) 0.8815(2) 0.0377(8) Uani 1 1 d . . .
C54 C 0.8370(3) 0.9261(3) 0.9411(3) 0.0560(11) Uani 1 1 d . . .
H54A H 0.8921 0.9360 0.9175 0.067 Uiso 1 1 calc R . .
C55 C 0.8575(3) 0.9587(4) 1.0354(3) 0.0713(14) Uani 1 1 d . . .
H55A H 0.9261 0.9889 1.0741 0.086 Uiso 1 1 calc R . .
C56 C 0.7794(3) 0.9472(4) 1.0721(3) 0.0640(12) Uani 1 1 d . . .
H56A H 0.7942 0.9698 1.1355 0.077 Uiso 1 1 calc R . .
C57 C 0.6784(3) 0.9020(3) 1.0150(3) 0.0580(11) Uani 1 1 d . . .
H57A H 0.6243 0.8936 1.0397 0.070 Uiso 1 1 calc R . .
C58 C 0.6558(3) 0.8685(3) 0.9204(2) 0.0462(9) Uani 1 1 d . . .
H58A H 0.5868 0.8388 0.8826 0.055 Uiso 1 1 calc R . .
O2 O 0.3110(3) 0.9647(3) 0.7343(2) 0.0802(9) Uani 1 1 d . . .
C59 C 0.287(2) 1.306(3) 0.805(2) 0.345(17) Uiso 0.50 1 d PD . .
C60 C 0.334(2) 1.362(3) 0.906(2) 0.307(15) Uiso 0.50 1 d PD . .
C61 C 0.440(2) 1.441(2) 0.9658(18) 0.283(14) Uiso 0.50 1 d PD . .
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'
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'
Cl Cl 0.1484 0.1585 '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'
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 79.28(10) . . ?
N2 Ru1 P2 86.71(8) . . ?
N1 Ru1 P2 165.24(8) . . ?
N2 Ru1 P3 174.57(8) . . ?
N1 Ru1 P3 96.11(7) . . ?
P2 Ru1 P3 98.10(3) . . ?
N2 Ru1 Cl1 85.90(8) . . ?
N1 Ru1 Cl1 86.99(7) . . ?
P2 Ru1 Cl1 87.40(3) . . ?
P3 Ru1 Cl1 96.78(3) . . ?
N2 Ru1 Cl2 89.02(8) . . ?
N1 Ru1 Cl2 81.57(7) . . ?
P2 Ru1 Cl2 102.98(3) . . ?
P3 Ru1 Cl2 87.47(3) . . ?
Cl1 Ru1 Cl2 168.17(3) . . ?
O1 P1 C7 113.04(16) . . ?
O1 P1 C1 109.98(17) . . ?
C7 P1 C1 106.38(17) . . ?
O1 P1 C13 114.05(16) . . ?
C7 P1 C13 105.98(17) . . ?
C1 P1 C13 106.93(16) . . ?
C29 P2 C28 101.78(17) . . ?
C29 P2 C35 102.79(16) . . ?
C28 P2 C35 96.54(16) . . ?
C29 P2 Ru1 120.73(12) . . ?
C28 P2 Ru1 107.85(12) . . ?
C35 P2 Ru1 122.67(12) . . ?
C53 P3 C41 103.64(16) . . ?
C53 P3 C47 100.13(15) . . ?
C41 P3 C47 96.96(16) . . ?
C53 P3 Ru1 119.63(12) . . ?
C41 P3 Ru1 117.64(12) . . ?
C47 P3 Ru1 115.19(11) . . ?
C19 N1 C20 109.6(3) . . ?
C19 N1 Ru1 119.93(19) . . ?
C20 N1 Ru1 108.07(19) . . ?
C22 N2 C21 117.5(3) . . ?
C22 N2 Ru1 131.1(2) . . ?
C21 N2 Ru1 110.4(2) . . ?
C6 C1 C2 118.3(4) . . ?
C6 C1 P1 118.4(3) . . ?
C2 C1 P1 123.2(3) . . ?
C1 C2 C3 120.2(5) . . ?
C4 C3 C2 119.8(5) . . ?
C3 C4 C5 120.2(5) . . ?
C4 C5 C6 119.8(5) . . ?
C1 C6 C5 121.7(5) . . ?
C8 C7 C12 119.1(4) . . ?
C8 C7 P1 118.4(3) . . ?
C12 C7 P1 122.5(3) . . ?
C9 C8 C7 120.7(4) . . ?
C10 C9 C8 119.8(5) . . ?
C9 C10 C11 120.5(4) . . ?
C10 C11 C12 119.9(5) . . ?
C7 C12 C11 119.9(4) . . ?
C14 C13 C18 118.2(3) . . ?
C14 C13 P1 120.0(3) . . ?
C18 C13 P1 121.8(3) . . ?
C15 C14 C13 122.0(4) . . ?
C16 C15 C14 119.9(4) . . ?
C15 C16 C17 118.8(4) . . ?
C16 C17 C18 122.9(4) . . ?
C17 C18 C13 118.1(3) . . ?
C17 C18 C19 118.8(3) . . ?
C13 C18 C19 123.1(3) . . ?
N1 C19 C18 114.4(3) . . ?
N1 C20 C21 111.1(3) . . ?
N2 C21 C20 106.8(3) . . ?
N2 C22 C23 127.3(3) . . ?
C28 C23 C24 119.7(4) . . ?
C28 C23 C22 125.9(3) . . ?
C24 C23 C22 114.4(4) . . ?
C25 C24 C23 120.7(4) . . ?
C26 C25 C24 119.7(4) . . ?
C25 C26 C27 120.4(4) . . ?
C26 C27 C28 121.6(4) . . ?
C27 C28 C23 117.9(4) . . ?
C27 C28 P2 122.2(3) . . ?
C23 C28 P2 119.8(3) . . ?
C34 C29 C30 118.1(4) . . ?
C34 C29 P2 118.8(3) . . ?
C30 C29 P2 123.2(3) . . ?
C29 C30 C31 120.6(5) . . ?
C32 C31 C30 119.7(5) . . ?
C31 C32 C33 121.1(5) . . ?
C34 C33 C32 118.4(5) . . ?
C33 C34 C29 122.1(4) . . ?
C40 C35 C36 117.4(3) . . ?
C40 C35 P2 122.4(3) . . ?
C36 C35 P2 120.0(3) . . ?
C37 C36 C35 121.1(4) . . ?
C38 C37 C36 120.4(4) . . ?
C37 C38 C39 119.9(4) . . ?
C38 C39 C40 120.1(4) . . ?
C35 C40 C39 121.1(4) . . ?
C42 C41 C46 117.7(4) . . ?
C42 C41 P3 121.1(3) . . ?
C46 C41 P3 121.1(3) . . ?
C41 C42 C43 121.1(4) . . ?
C44 C43 C42 120.1(5) . . ?
C43 C44 C45 119.5(4) . . ?
C46 C45 C44 119.9(4) . . ?
C45 C46 C41 121.6(4) . . ?
C52 C47 C48 117.4(3) . . ?
C52 C47 P3 123.8(3) . . ?
C48 C47 P3 118.7(3) . . ?
C47 C48 C49 121.7(3) . . ?
C50 C49 C48 120.3(4) . . ?
C49 C50 C51 119.6(4) . . ?
C50 C51 C52 120.3(4) . . ?
C47 C52 C51 120.8(4) . . ?
C58 C53 C54 117.4(3) . . ?
C58 C53 P3 118.7(3) . . ?
C54 C53 P3 123.9(3) . . ?
C55 C54 C53 120.6(4) . . ?
C56 C55 C54 121.2(4) . . ?
C55 C56 C57 119.2(4) . . ?
C56 C57 C58 120.7(4) . . ?
C57 C58 C53 120.8(3) . . ?
C61 C60 C59 132(2) . . ?
C60 C61 C61 167(4) . 2_687 ?
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 2.073(3) . ?
Ru1 N1 2.228(2) . ?
Ru1 P2 2.2722(9) . ?
Ru1 P3 2.3566(9) . ?
Ru1 Cl1 2.4067(8) . ?
Ru1 Cl2 2.4380(9) . ?
P1 O1 1.488(3) . ?
P1 C7 1.806(4) . ?
P1 C1 1.808(4) . ?
P1 C13 1.809(4) . ?
P2 C29 1.833(4) . ?
P2 C28 1.839(4) . ?
P2 C35 1.858(3) . ?
P3 C53 1.832(3) . ?
P3 C41 1.838(4) . ?
P3 C47 1.851(3) . ?
N1 C19 1.483(4) . ?
N1 C20 1.487(4) . ?
N2 C22 1.273(4) . ?
N2 C21 1.463(4) . ?
C1 C6 1.365(5) . ?
C1 C2 1.381(5) . ?
C2 C3 1.396(6) . ?
C3 C4 1.362(8) . ?
C4 C5 1.363(8) . ?
C5 C6 1.374(6) . ?
C7 C8 1.376(5) . ?
C7 C12 1.379(5) . ?
C8 C9 1.375(6) . ?
C9 C10 1.360(7) . ?
C10 C11 1.366(7) . ?
C11 C12 1.382(6) . ?
C13 C14 1.393(5) . ?
C13 C18 1.408(5) . ?
C14 C15 1.370(5) . ?
C15 C16 1.369(6) . ?
C16 C17 1.374(5) . ?
C17 C18 1.380(5) . ?
C18 C19 1.530(4) . ?
C20 C21 1.509(5) . ?
C22 C23 1.460(5) . ?
C23 C28 1.402(5) . ?
C23 C24 1.406(5) . ?
C24 C25 1.375(6) . ?
C25 C26 1.373(7) . ?
C26 C27 1.378(6) . ?
C27 C28 1.395(5) . ?
C29 C34 1.377(5) . ?
C29 C30 1.379(5) . ?
C30 C31 1.382(6) . ?
C31 C32 1.359(7) . ?
C32 C33 1.374(7) . ?
C33 C34 1.371(5) . ?
C35 C40 1.371(5) . ?
C35 C36 1.405(5) . ?
C36 C37 1.369(5) . ?
C37 C38 1.360(6) . ?
C38 C39 1.367(6) . ?
C39 C40 1.388(5) . ?
C41 C42 1.382(5) . ?
C41 C46 1.394(5) . ?
C42 C43 1.401(5) . ?
C43 C44 1.367(7) . ?
C44 C45 1.395(7) . ?
C45 C46 1.373(6) . ?
C47 C52 1.374(5) . ?
C47 C48 1.377(5) . ?
C48 C49 1.387(5) . ?
C49 C50 1.342(5) . ?
C50 C51 1.374(6) . ?
C51 C52 1.393(6) . ?
C53 C58 1.389(5) . ?
C53 C54 1.391(5) . ?
C54 C55 1.387(5) . ?
C55 C56 1.354(6) . ?
C56 C57 1.369(5) . ?
C57 C58 1.388(5) . ?
C59 C60 1.475(18) . ?
C60 C61 1.451(17) . ?
C61 C61 1.78(5) 2_687 ?
