#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:46:24 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179814 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/10/7011039.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_7011039
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            'C61 H56 Cl11 N2 P3 Ru'
_chemical_formula_weight         1401.01
_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                93.614(2)
_cell_angle_beta                 100.712(2)
_cell_angle_gamma                104.184(2)
_cell_formula_units_Z            2
_cell_length_a                   12.5904(13)
_cell_length_b                   12.8333(13)
_cell_length_c                   21.502(2)
_cell_measurement_temperature    293(2)
_cell_volume                     3288.0(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 0.973
_diffrn_measured_fraction_theta_max 0.973
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            17759
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    0.797
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1424
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.906
_refine_diff_density_min         -0.678
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       0.0010(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   0.994
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         12575
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.994
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1074P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1450
_refine_ls_wR_factor_ref         0.1559
_reflns_number_gt                9639
_reflns_number_total             12575
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b106997g.txt
_cod_data_source_block           wy0145wm
_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_database_code               7011039
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
C1 C 0.5481(3) 0.8872(3) 0.77524(16) 0.0444(8) Uani 1 1 d . . .
H1A H 0.6101 0.9495 0.7933 0.053 Uiso 1 1 calc R . .
H1B H 0.5728 0.8229 0.7844 0.053 Uiso 1 1 calc R . .
C2 C 0.4517(3) 0.8893(3) 0.80812(17) 0.0433(8) Uani 1 1 d . . .
C3 C 0.3608(3) 0.7978(4) 0.79775(19) 0.0540(10) Uani 1 1 d . . .
H3 H 0.3597 0.7385 0.7702 0.065 Uiso 1 1 calc R . .
C4 C 0.2726(4) 0.7946(4) 0.8281(2) 0.0619(11) Uani 1 1 d . . .
H4 H 0.2130 0.7329 0.8213 0.074 Uiso 1 1 calc R . .
C5 C 0.2725(4) 0.8820(4) 0.8681(2) 0.0628(12) Uani 1 1 d . . .
H5 H 0.2121 0.8801 0.8875 0.075 Uiso 1 1 calc R . .
C6 C 0.3620(3) 0.9727(4) 0.8796(2) 0.0566(10) Uani 1 1 d . . .
H6 H 0.3617 1.0309 0.9075 0.068 Uiso 1 1 calc R . .
C7 C 0.4532(3) 0.9788(3) 0.85008(17) 0.0451(9) Uani 1 1 d . . .
C8 C 0.5311(4) 1.1927(3) 0.9167(2) 0.0567(10) Uani 1 1 d . . .
C9 C 0.5634(4) 1.2040(4) 0.9828(2) 0.0702(13) Uani 1 1 d . . .
H9 H 0.6078 1.1620 1.0021 0.084 Uiso 1 1 calc R . .
C10 C 0.5301(5) 1.2778(5) 1.0207(3) 0.0874(17) Uani 1 1 d . . .
H10 H 0.5526 1.2843 1.0648 0.105 Uiso 1 1 calc R . .
C11 C 0.4657(6) 1.3394(5) 0.9938(3) 0.096(2) Uani 1 1 d . . .
H11 H 0.4457 1.3897 1.0193 0.116 Uiso 1 1 calc R . .
C12 C 0.4289(6) 1.3275(5) 0.9275(4) 0.104(2) Uani 1 1 d . . .
H12 H 0.3816 1.3673 0.9088 0.124 Uiso 1 1 calc R . .
C13 C 0.4644(5) 1.2545(5) 0.8896(3) 0.0850(16) Uani 1 1 d . . .
H13 H 0.4421 1.2481 0.8455 0.102 Uiso 1 1 calc R . .
C14 C 0.6805(3) 1.0570(4) 0.91632(19) 0.0516(10) Uani 1 1 d . . .
C15 C 0.7890(4) 1.1212(4) 0.9275(3) 0.0755(14) Uani 1 1 d . . .
H15A H 0.8054 1.1827 0.9067 0.091 Uiso 1 1 calc R . .
C16 C 0.8744(4) 1.0946(6) 0.9695(3) 0.0892(18) Uani 1 1 d . . .
H16A H 0.9463 1.1408 0.9784 0.107 Uiso 1 1 calc R . .
C17 C 0.8542(4) 1.0041(5) 0.9970(3) 0.0780(15) Uani 1 1 d . . .
H17A H 0.9123 0.9865 1.0241 0.094 Uiso 1 1 calc R . .
C18 C 0.7484(4) 0.9367(5) 0.9858(2) 0.0720(13) Uani 1 1 d . . .
H18A H 0.7346 0.8730 1.0049 0.086 Uiso 1 1 calc R . .
C19 C 0.6616(4) 0.9639(4) 0.9456(2) 0.0632(12) Uani 1 1 d . . .
H19A H 0.5896 0.9183 0.9385 0.076 Uiso 1 1 calc R . .
C20 C 0.4769(3) 0.9843(3) 0.68965(18) 0.0481(9) Uani 1 1 d . . .
H20A H 0.5193 1.0461 0.7201 0.058 Uiso 1 1 calc R . .
H20B H 0.3992 0.9692 0.6934 0.058 Uiso 1 1 calc R . .
C21 C 0.4861(3) 1.0106(3) 0.62290(18) 0.0460(9) Uani 1 1 d . . .
H21A H 0.4373 0.9526 0.5917 0.055 Uiso 1 1 calc R . .
H21B H 0.4644 1.0769 0.6150 0.055 Uiso 1 1 calc R . .
C22 C 0.6267(3) 1.0573(3) 0.55574(17) 0.0413(8) Uani 1 1 d . . .
H22A H 0.5816 1.1056 0.5409 0.050 Uiso 1 1 calc R . .
H22B H 0.6070 0.9943 0.5244 0.050 Uiso 1 1 calc R . .
C23 C 0.7498(3) 1.1141(3) 0.56391(17) 0.0416(8) Uani 1 1 d . . .
C24 C 0.7815(4) 1.2232(3) 0.5560(2) 0.0534(10) Uani 1 1 d . . .
H24 H 0.7266 1.2591 0.5436 0.064 Uiso 1 1 calc R . .
C25 C 0.8925(4) 1.2791(4) 0.5660(2) 0.0641(12) Uani 1 1 d . . .
H25 H 0.9122 1.3519 0.5599 0.077 Uiso 1 1 calc R . .
C26 C 0.9744(4) 1.2265(3) 0.5854(2) 0.0569(10) Uani 1 1 d . . .
H26 H 1.0496 1.2642 0.5932 0.068 Uiso 1 1 calc R . .
C27 C 0.9444(3) 1.1178(3) 0.59302(18) 0.0451(8) Uani 1 1 d . . .
H27 H 1.0001 1.0828 0.6056 0.054 Uiso 1 1 calc R . .
C28 C 0.8332(3) 1.0603(3) 0.58225(16) 0.0377(7) Uani 1 1 d . . .
C29 C 0.7527(3) 0.8589(3) 0.50432(16) 0.0376(7) Uani 1 1 d . . .
C30 C 0.7836(3) 0.9219(3) 0.45713(17) 0.0456(9) Uani 1 1 d . . .
H30 H 0.8217 0.9945 0.4680 0.055 Uiso 1 1 calc R . .
C31 C 0.7582(3) 0.8775(4) 0.39369(18) 0.0528(10) Uani 1 1 d . . .
H31 H 0.7793 0.9204 0.3625 0.063 Uiso 1 1 calc R . .
C32 C 0.7020(4) 0.7701(4) 0.3772(2) 0.0619(12) Uani 1 1 d . . .
H32 H 0.6850 0.7404 0.3349 0.074 Uiso 1 1 calc R . .
C33 C 0.6709(4) 0.7069(4) 0.4234(2) 0.0633(12) Uani 1 1 d . . .
H33 H 0.6326 0.6345 0.4121 0.076 Uiso 1 1 calc R . .
C34 C 0.6964(3) 0.7507(3) 0.48685(18) 0.0508(9) Uani 1 1 d . . .
H34 H 0.6756 0.7071 0.5178 0.061 Uiso 1 1 calc R . .
C35 C 0.9257(3) 0.8855(3) 0.61655(17) 0.0385(8) Uani 1 1 d . . .
C36 C 0.9830(3) 0.8461(3) 0.5746(2) 0.0492(9) Uani 1 1 d . . .
H36 H 0.9537 0.8366 0.5309 0.059 Uiso 1 1 calc R . .
C37 C 1.0826(4) 0.8212(4) 0.5972(2) 0.0629(12) Uani 1 1 d . . .
H37 H 1.1204 0.7957 0.5688 0.076 Uiso 1 1 calc R . .
C38 C 1.1263(4) 0.8339(4) 0.6620(2) 0.0674(13) Uani 1 1 d . . .
H38 H 1.1920 0.8146 0.6774 0.081 Uiso 1 1 calc R . .
C39 C 1.0723(4) 0.8752(4) 0.7033(2) 0.0626(12) Uani 1 1 d . . .
H39 H 1.1035 0.8867 0.7467 0.075 Uiso 1 1 calc R . .
C40 C 0.9720(3) 0.9001(3) 0.68133(19) 0.0483(9) Uani 1 1 d . . .
H40 H 0.9355 0.9267 0.7101 0.058 Uiso 1 1 calc R . .
C41 C 0.7060(3) 0.6231(3) 0.62884(18) 0.0465(9) Uani 1 1 d . . .
C42 C 0.8111(4) 0.6308(3) 0.6160(2) 0.0541(10) Uani 1 1 d . . .
H42 H 0.8726 0.6823 0.6403 0.065 Uiso 1 1 calc R . .
C43 C 0.8261(5) 0.5626(4) 0.5676(2) 0.0660(12) Uani 1 1 d . . .
H43 H 0.8973 0.5689 0.5595 0.079 Uiso 1 1 calc R . .
C44 C 0.7347(5) 0.4850(4) 0.5310(2) 0.0693(14) Uani 1 1 d . . .
H44 H 0.7442 0.4404 0.4978 0.083 Uiso 1 1 calc R . .
C45 C 0.6314(5) 0.4748(4) 0.5443(2) 0.0674(13) Uani 1 1 d . . .
H45 H 0.5706 0.4217 0.5207 0.081 Uiso 1 1 calc R . .
C46 C 0.6158(4) 0.5429(3) 0.5928(2) 0.0546(10) Uani 1 1 d . . .
H46 H 0.5446 0.5350 0.6013 0.066 Uiso 1 1 calc R . .
C47 C 0.5672(4) 0.6398(3) 0.7186(2) 0.0527(10) Uani 1 1 d . . .
C48 C 0.4588(4) 0.6141(4) 0.6825(2) 0.0613(11) Uani 1 1 d . . .
H48 H 0.4456 0.6422 0.6438 0.074 Uiso 1 1 calc R . .
C49 C 0.3694(5) 0.5474(4) 0.7024(3) 0.0846(17) Uani 1 1 d . . .
H49 H 0.2978 0.5302 0.6769 0.101 Uiso 1 1 calc R . .
C50 C 0.3877(6) 0.5070(5) 0.7604(4) 0.100(2) Uani 1 1 d . . .
H50 H 0.3289 0.4611 0.7738 0.120 Uiso 1 1 calc R . .
C51 C 0.4927(6) 0.5351(5) 0.7978(3) 0.098(2) Uani 1 1 d . . .
H51 H 0.5040 0.5108 0.8377 0.118 Uiso 1 1 calc R . .
C52 C 0.5836(5) 0.5993(4) 0.7777(2) 0.0722(13) Uani 1 1 d . . .
H52 H 0.6549 0.6152 0.8034 0.087 Uiso 1 1 calc R . .
C53 C 0.8006(3) 0.7270(3) 0.75664(17) 0.0454(9) Uani 1 1 d . . .
C54 C 0.8529(4) 0.6432(4) 0.7651(2) 0.0605(11) Uani 1 1 d . . .
H54 H 0.8328 0.5841 0.7341 0.073 Uiso 1 1 calc R . .
C55 C 0.9333(4) 0.6465(4) 0.8183(2) 0.0737(14) Uani 1 1 d . . .
H55 H 0.9676 0.5901 0.8230 0.088 Uiso 1 1 calc R . .
C56 C 0.9635(4) 0.7330(5) 0.8649(2) 0.0800(16) Uani 1 1 d . . .
H56 H 1.0191 0.7355 0.9006 0.096 Uiso 1 1 calc R . .
C57 C 0.9116(5) 0.8162(4) 0.8590(2) 0.0730(14) Uani 1 1 d . . .
H57 H 0.9307 0.8738 0.8911 0.088 Uiso 1 1 calc R . .
C58 C 0.8305(4) 0.8130(3) 0.80476(19) 0.0549(10) Uani 1 1 d . . .
H58 H 0.7957 0.8691 0.8006 0.066 Uiso 1 1 calc R . .
C59 C 0.9385(7) 0.8196(8) 0.2042(5) 0.143(3) Uani 1 1 d . . .
H59A H 1.0095 0.8580 0.2327 0.171 Uiso 1 1 calc R . .
C60 C 0.2164(15) 1.5415(11) 0.9967(7) 0.222(7) Uani 1 1 d . . .
H60A H 0.2899 1.5892 1.0171 0.266 Uiso 1 1 calc R . .
C61 C 0.7159(7) 0.2947(5) 0.7552(3) 0.110(2) Uani 1 1 d . . .
H61 H 0.7151 0.2210 0.7649 0.132 Uiso 1 1 calc R . .
Cl1 Cl 0.77957(7) 1.02529(7) 0.73313(4) 0.0428(2) Uani 1 1 d . . .
Cl2 Cl 0.50670(8) 0.77756(8) 0.56658(4) 0.0478(2) Uani 1 1 d . . .
Cl3 Cl 0.8911(5) 0.9081(4) 0.1576(2) 0.274(2) Uani 1 1 d . . .
Cl4 Cl 0.9650(5) 0.7393(5) 0.1461(3) 0.321(3) Uani 1 1 d . . .
Cl5 Cl 0.8577(4) 0.7612(6) 0.24406(18) 0.374(5) Uani 1 1 d . . .
Cl6 Cl 0.1321(8) 1.6056(7) 0.9962(4) 0.416(5) Uani 1 1 d . . .
Cl7 Cl 0.2141(6) 1.5187(6) 0.9124(4) 0.366(4) Uani 1 1 d . . .
Cl8 Cl 0.2051(5) 1.4252(5) 1.0266(3) 0.309(3) Uani 1 1 d . . .
Cl9 Cl 0.8203(4) 0.3378(2) 0.71378(16) 0.2097(16) Uani 1 1 d . . .
Cl10 Cl 0.5881(3) 0.2917(2) 0.70876(16) 0.2122(17) Uani 1 1 d . . .
Cl11 Cl 0.7418(2) 0.37641(15) 0.82597(9) 0.1254(7) Uani 1 1 d . . .
N1 N 0.5208(2) 0.8880(2) 0.70448(13) 0.0398(7) Uani 1 1 d . . .
H1C H 0.4636 0.8282 0.6887 0.048 Uiso 1 1 calc R . .
N2 N 0.6046(2) 1.0236(2) 0.61814(13) 0.0369(6) Uani 1 1 d . . .
H2A H 0.6448 1.0803 0.6476 0.044 Uiso 1 1 calc R . .
P1 P 0.57194(9) 1.10006(9) 0.86272(5) 0.0502(3) Uani 1 1 d . . .
P2 P 0.78894(7) 0.91399(7) 0.58973(4) 0.0343(2) Uani 1 1 d . . .
P3 P 0.68606(8) 0.72397(7) 0.68867(4) 0.0390(2) Uani 1 1 d . . .
Ru1 Ru 0.65554(2) 0.88413(2) 0.651142(12) 0.03247(11) Uani 1 1 d . . .
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'
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
N1 C1 C2 114.7(3) . . ?
C3 C2 C7 119.4(4) . . ?
C3 C2 C1 118.5(3) . . ?
C7 C2 C1 122.1(3) . . ?
C4 C3 C2 120.6(4) . . ?
C5 C4 C3 120.2(4) . . ?
C4 C5 C6 120.1(4) . . ?
C5 C6 C7 121.3(4) . . ?
C6 C7 C2 118.2(4) . . ?
C6 C7 P1 122.4(3) . . ?
C2 C7 P1 119.4(3) . . ?
C13 C8 C9 118.3(4) . . ?
C13 C8 P1 117.3(4) . . ?
C9 C8 P1 124.4(4) . . ?
C8 C9 C10 120.9(5) . . ?
C11 C10 C9 120.6(6) . . ?
C10 C11 C12 119.8(5) . . ?
C11 C12 C13 119.3(6) . . ?
C8 C13 C12 121.0(6) . . ?
C19 C14 C15 117.4(4) . . ?
C19 C14 P1 124.5(3) . . ?
C15 C14 P1 118.1(4) . . ?
C14 C15 C16 120.7(5) . . ?
C17 C16 C15 120.7(5) . . ?
C16 C17 C18 120.4(5) . . ?
C17 C18 C19 119.6(5) . . ?
C14 C19 C18 121.2(5) . . ?
N1 C20 C21 110.6(3) . . ?
N2 C21 C20 107.2(3) . . ?
N2 C22 C23 108.9(3) . . ?
C24 C23 C28 119.0(4) . . ?
C24 C23 C22 119.5(3) . . ?
C28 C23 C22 121.4(3) . . ?
C25 C24 C23 121.4(4) . . ?
C24 C25 C26 119.5(4) . . ?
C27 C26 C25 119.9(4) . . ?
C26 C27 C28 121.1(4) . . ?
C27 C28 C23 119.1(3) . . ?
C27 C28 P2 122.7(3) . . ?
C23 C28 P2 118.2(3) . . ?
C34 C29 C30 118.5(3) . . ?
C34 C29 P2 119.4(3) . . ?
C30 C29 P2 122.1(3) . . ?
C29 C30 C31 120.8(4) . . ?
C32 C31 C30 119.9(4) . . ?
C33 C32 C31 120.0(4) . . ?
C32 C33 C34 120.4(4) . . ?
C29 C34 C33 120.5(4) . . ?
C40 C35 C36 118.5(3) . . ?
C40 C35 P2 118.7(3) . . ?
C36 C35 P2 122.8(3) . . ?
C37 C36 C35 120.6(4) . . ?
C36 C37 C38 120.2(4) . . ?
C39 C38 C37 119.6(4) . . ?
C38 C39 C40 120.8(4) . . ?
C39 C40 C35 120.2(4) . . ?
C42 C41 C46 118.2(4) . . ?
C42 C41 P3 120.0(3) . . ?
C46 C41 P3 121.7(3) . . ?
C41 C42 C43 121.0(4) . . ?
C42 C43 C44 120.1(5) . . ?
C45 C44 C43 119.4(4) . . ?
C44 C45 C46 120.7(5) . . ?
C45 C46 C41 120.6(4) . . ?
C48 C47 C52 117.6(4) . . ?
C48 C47 P3 120.8(3) . . ?
C52 C47 P3 121.6(4) . . ?
C47 C48 C49 121.9(5) . . ?
C50 C49 C48 119.5(6) . . ?
C51 C50 C49 119.4(5) . . ?
C50 C51 C52 121.7(6) . . ?
C51 C52 C47 119.8(5) . . ?
C58 C53 C54 118.0(4) . . ?
C58 C53 P3 118.4(3) . . ?
C54 C53 P3 123.4(3) . . ?
C55 C54 C53 121.2(4) . . ?
C54 C55 C56 120.2(5) . . ?
C55 C56 C57 120.3(4) . . ?
C56 C57 C58 119.4(5) . . ?
C57 C58 C53 120.9(4) . . ?
Cl5 C59 Cl4 115.5(6) . . ?
Cl5 C59 Cl3 115.6(7) . . ?
Cl4 C59 Cl3 98.2(6) . . ?
Cl6 C60 Cl8 123.3(13) . . ?
Cl6 C60 Cl7 101.2(9) . . ?
Cl8 C60 Cl7 108.5(9) . . ?
Cl10 C61 Cl9 109.9(4) . . ?
Cl10 C61 Cl11 111.5(4) . . ?
Cl9 C61 Cl11 110.5(4) . . ?
C1 N1 C20 109.1(3) . . ?
C1 N1 Ru1 117.8(2) . . ?
C20 N1 Ru1 108.9(2) . . ?
C21 N2 C22 112.7(3) . . ?
C21 N2 Ru1 108.4(2) . . ?
C22 N2 Ru1 118.6(2) . . ?
C14 P1 C8 102.33(19) . . ?
C14 P1 C7 101.68(19) . . ?
C8 P1 C7 102.4(2) . . ?
C35 P2 C28 100.88(16) . . ?
C35 P2 C29 101.94(16) . . ?
C28 P2 C29 99.93(16) . . ?
C35 P2 Ru1 120.92(12) . . ?
C28 P2 Ru1 109.08(11) . . ?
C29 P2 Ru1 120.55(12) . . ?
C53 P3 C41 102.01(18) . . ?
C53 P3 C47 98.91(19) . . ?
C41 P3 C47 100.60(18) . . ?
C53 P3 Ru1 121.23(13) . . ?
C41 P3 Ru1 116.10(12) . . ?
C47 P3 Ru1 114.71(14) . . ?
N2 Ru1 N1 79.20(11) . . ?
N2 Ru1 P2 88.85(8) . . ?
N1 Ru1 P2 167.97(8) . . ?
N2 Ru1 P3 172.31(8) . . ?
N1 Ru1 P3 94.06(8) . . ?
P2 Ru1 P3 97.95(3) . . ?
N2 Ru1 Cl2 86.37(8) . . ?
N1 Ru1 Cl2 85.63(8) . . ?
P2 Ru1 Cl2 95.10(3) . . ?
P3 Ru1 Cl2 89.46(3) . . ?
N2 Ru1 Cl1 80.35(8) . . ?
N1 Ru1 Cl1 87.02(8) . . ?
P2 Ru1 Cl1 89.61(3) . . ?
P3 Ru1 Cl1 103.15(3) . . ?
Cl2 Ru1 Cl1 165.83(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
C1 N1 1.497(4) . ?
C1 C2 1.518(5) . ?
C2 C3 1.397(6) . ?
C2 C7 1.409(5) . ?
C3 C4 1.383(6) . ?
C4 C5 1.370(6) . ?
C5 C6 1.379(6) . ?
C6 C7 1.401(5) . ?
C7 P1 1.840(4) . ?
C8 C13 1.370(7) . ?
C8 C9 1.392(6) . ?
C8 P1 1.837(4) . ?
C9 C10 1.399(7) . ?
C10 C11 1.347(9) . ?
C11 C12 1.401(9) . ?
C12 C13 1.409(8) . ?
C14 C19 1.376(6) . ?
C14 C15 1.380(6) . ?
C14 P1 1.835(4) . ?
C15 C16 1.396(7) . ?
C16 C17 1.327(8) . ?
C17 C18 1.368(8) . ?
C18 C19 1.391(6) . ?
C20 N1 1.501(5) . ?
C20 C21 1.514(5) . ?
C21 N2 1.483(5) . ?
C22 N2 1.489(4) . ?
C22 C23 1.514(5) . ?
C23 C24 1.389(5) . ?
C23 C28 1.404(5) . ?
C24 C25 1.375(6) . ?
C25 C26 1.382(6) . ?
C26 C27 1.381(5) . ?
C27 C28 1.383(5) . ?
C28 P2 1.849(4) . ?
C29 C34 1.388(5) . ?
C29 C30 1.389(5) . ?
C29 P2 1.857(3) . ?
C30 C31 1.392(5) . ?
C31 C32 1.376(6) . ?
C32 C33 1.373(7) . ?
C33 C34 1.390(5) . ?
C35 C40 1.388(5) . ?
C35 C36 1.399(5) . ?
C35 P2 1.843(3) . ?
C36 C37 1.378(5) . ?
C37 C38 1.382(6) . ?
C38 C39 1.369(7) . ?
C39 C40 1.384(5) . ?
C41 C42 1.382(6) . ?
C41 C46 1.396(6) . ?
C41 P3 1.861(4) . ?
C42 C43 1.388(6) . ?
C43 C44 1.392(7) . ?
C44 C45 1.359(7) . ?
C45 C46 1.392(6) . ?
C47 C48 1.388(6) . ?
C47 C52 1.403(6) . ?
C47 P3 1.864(4) . ?
C48 C49 1.392(7) . ?
C49 C50 1.382(9) . ?
C50 C51 1.364(9) . ?
C51 C52 1.392(8) . ?
C53 C58 1.392(5) . ?
C53 C54 1.397(6) . ?
C53 P3 1.844(4) . ?
C54 C55 1.370(6) . ?
C55 C56 1.375(7) . ?
C56 C57 1.383(7) . ?
C57 C58 1.392(6) . ?
C59 Cl5 1.536(10) . ?
C59 Cl4 1.701(10) . ?
C59 Cl3 1.704(10) . ?
C60 Cl6 1.493(14) . ?
C60 Cl8 1.647(13) . ?
C60 Cl7 1.811(15) . ?
C61 Cl10 1.719(8) . ?
C61 Cl9 1.722(8) . ?
C61 Cl11 1.723(7) . ?
Cl1 Ru1 2.4527(9) . ?
Cl2 Ru1 2.4191(9) . ?
N1 Ru1 2.226(3) . ?
N2 Ru1 2.162(3) . ?
P2 Ru1 2.2987(9) . ?
P3 Ru1 2.3461(10) . ?
