#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:37:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179854 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/50/7015070.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_7015070
loop_
_publ_author_name
'Mena-Cruz, Adrián'
'Lorenzo-Luis, Pablo'
'Passarelli, Vincenzo'
'Romerosa, Antonio'
'Serrano-Ruiz, Manuel'
_publ_section_title
;
 Comparative study of [RuClCp(HdmoPTA-\kP)(PPh3)][CF3SO3] and the
 heterobimetallic complexes
 [RuClCp(PPh3)-μ-dmoPTA-1\kP:2κ2N,N'-M(acac-κ2O,O')2] (M=Co, Ni, Zn;
 dmoPTA=3,7-dimethyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane).
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3237
_journal_page_last               3244
_journal_paper_doi               10.1039/c0dt00571a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C40 H52 Cl N3 Ni O5 P2 Ru'
_chemical_formula_weight         912.02
_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                 106.9850(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2303(7)
_cell_length_b                   35.554(2)
_cell_length_c                   9.9058(6)
_cell_measurement_reflns_used    1902
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      46.938
_cell_measurement_theta_min      4.583
_cell_volume                     4119.5(4)
_computing_cell_refinement       'Bruker APEX'
_computing_data_collection       'Bruker APEX'
_computing_data_reduction        'Bruker SHELXTL'
_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      200(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0886
_diffrn_reflns_av_sigmaI/netI    0.1002
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            21573
_diffrn_reflns_theta_full        24.44
_diffrn_reflns_theta_max         24.44
_diffrn_reflns_theta_min         1.15
_exptl_absorpt_coefficient_mu    1.012
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.470
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.203
_exptl_crystal_size_mid          0.077
_exptl_crystal_size_min          0.035
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.712
_refine_diff_density_rms         0.113
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.233
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     492
_refine_ls_number_reflns         6775
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.233
_refine_ls_R_factor_all          0.1039
_refine_ls_R_factor_gt           0.0793
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0443P)²+7.7196P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1635
_refine_ls_wR_factor_ref         0.1725
_reflns_number_gt                5442
_reflns_number_total             6775
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt00571a.txt
_cod_data_source_block           1
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7015070
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 0.58175(5) 0.171541(17) 0.68593(7) 0.02373(19) Uani 1 1 d . . .
Ni1 Ni 0.29972(8) 0.08406(3) 0.22132(11) 0.0268(3) Uani 1 1 d . . .
Cl1 Cl 0.61166(17) 0.23602(5) 0.6199(2) 0.0331(5) Uani 1 1 d . . .
P2 P 0.48415(17) 0.15855(5) 0.4561(2) 0.0230(5) Uani 1 1 d . . .
P1 P 0.76492(17) 0.15816(5) 0.6787(2) 0.0264(5) Uani 1 1 d . . .
O4 O 0.2217(5) 0.09947(15) 0.0200(6) 0.0347(14) Uani 1 1 d . . .
O3 O 0.3402(5) 0.03322(15) 0.1501(7) 0.0404(15) Uani 1 1 d . . .
O2 O 0.1529(5) 0.06003(15) 0.2399(6) 0.0397(15) Uani 1 1 d . . .
O1 O 0.3798(5) 0.06529(16) 0.4191(6) 0.0392(15) Uani 1 1 d . . .
N1 N 0.4574(5) 0.11193(17) 0.2161(6) 0.0255(15) Uani 1 1 d . . .
N2 N 0.2584(5) 0.13952(18) 0.2888(6) 0.0277(15) Uani 1 1 d . . .
N3 N 0.3832(5) 0.17707(16) 0.1848(7) 0.0278(15) Uani 1 1 d . . .
C31 C 0.8166(7) 0.1126(2) 0.7628(8) 0.0288(18) Uani 1 1 d . . .
C36 C 0.7540(7) 0.0803(2) 0.7082(9) 0.035(2) Uani 1 1 d . . .
H36 H 0.6894 0.0825 0.6272 0.042 Uiso 1 1 calc R . .
C35 C 0.7836(8) 0.0457(2) 0.7689(10) 0.043(2) Uani 1 1 d . . .
H35 H 0.7409 0.0239 0.7301 0.051 Uiso 1 1 calc R . .
C34 C 0.8780(8) 0.0431(2) 0.8891(11) 0.047(3) Uani 1 1 d . . .
H34 H 0.9002 0.0193 0.9321 0.057 Uiso 1 1 calc R . .
C33 C 0.9383(7) 0.0746(3) 0.9450(10) 0.045(2) Uani 1 1 d . . .
H33 H 1.0015 0.0727 1.0276 0.054 Uiso 1 1 calc R . .
C32 C 0.9076(7) 0.1093(2) 0.8819(9) 0.034(2) Uani 1 1 d . . .
H32 H 0.9501 0.1310 0.9216 0.041 Uiso 1 1 calc R . .
C21 C 0.8775(7) 0.1900(2) 0.7738(9) 0.031(2) Uani 1 1 d . . .
C26 C 0.8639(8) 0.2128(2) 0.8829(11) 0.047(3) Uani 1 1 d . . .
H26 H 0.7920 0.2134 0.9014 0.056 Uiso 1 1 calc R . .
C25 C 0.9539(9) 0.2345(3) 0.9652(12) 0.067(3) Uani 1 1 d . . .
H25 H 0.9436 0.2493 1.0404 0.080 Uiso 1 1 calc R . .
C24 C 1.0568(9) 0.2344(3) 0.9372(13) 0.065(3) Uani 1 1 d . . .
H24 H 1.1175 0.2495 0.9929 0.078 Uiso 1 1 calc R . .
C23 C 1.0740(8) 0.2129(3) 0.8294(12) 0.053(3) Uani 1 1 d . . .
H23 H 1.1457 0.2131 0.8101 0.064 Uiso 1 1 calc R . .
C22 C 0.9846(7) 0.1906(2) 0.7493(10) 0.040(2) Uani 1 1 d . . .
H22 H 0.9966 0.1754 0.6760 0.047 Uiso 1 1 calc R . .
C11 C 0.7992(6) 0.1551(2) 0.5093(9) 0.0312(19) Uani 1 1 d . . .
C16 C 0.8491(7) 0.1237(2) 0.4670(10) 0.039(2) Uani 1 1 d . . .
H16 H 0.8677 0.1024 0.5271 0.047 Uiso 1 1 calc R . .
C15 C 0.8717(8) 0.1234(3) 0.3396(11) 0.051(3) Uani 1 1 d . . .
H15 H 0.9064 0.1019 0.3123 0.061 Uiso 1 1 calc R . .
C14 C 0.8444(7) 0.1541(3) 0.2502(10) 0.045(2) Uani 1 1 d . . .
H14 H 0.8573 0.1534 0.1602 0.054 Uiso 1 1 calc R . .
C13 C 0.7982(7) 0.1859(2) 0.2930(9) 0.038(2) Uani 1 1 d . . .
H13 H 0.7834 0.2075 0.2343 0.045 Uiso 1 1 calc R . .
C12 C 0.7732(7) 0.1863(2) 0.4209(9) 0.034(2) Uani 1 1 d . . .
H12 H 0.7386 0.2078 0.4480 0.041 Uiso 1 1 calc R . .
C51 C 0.5196(9) 0.1917(3) 0.8606(10) 0.050(3) Uani 1 1 d . . .
H51 H 0.5157 0.2176 0.8816 0.060 Uiso 1 1 calc R . .
C55 C 0.4335(8) 0.1711(3) 0.7709(9) 0.046(2) Uani 1 1 d . . .
H55 H 0.3597 0.1802 0.7207 0.055 Uiso 1 1 calc R . .
C54 C 0.4748(9) 0.1340(3) 0.7667(10) 0.047(3) Uani 1 1 d . . .
H54 H 0.4334 0.1137 0.7132 0.057 Uiso 1 1 calc R . .
C53 C 0.5862(10) 0.1325(3) 0.8543(11) 0.056(3) Uani 1 1 d . . .
H53 H 0.6349 0.1111 0.8696 0.067 Uiso 1 1 calc R . .
C52 C 0.6148(10) 0.1682(4) 0.9167(10) 0.067(3) Uani 1 1 d . . .
H52 H 0.6848 0.1750 0.9838 0.080 Uiso 1 1 calc R . .
C43 C 0.4594(7) 0.1935(2) 0.3145(8) 0.0302(19) Uani 1 1 d . . .
H43A H 0.4241 0.2163 0.3409 0.036 Uiso 1 1 calc R . .
H43B H 0.5330 0.2007 0.2990 0.036 Uiso 1 1 calc R . .
C41 C 0.5317(6) 0.1200(2) 0.3630(8) 0.0225(17) Uani 1 1 d . . .
H41A H 0.6096 0.1260 0.3582 0.027 Uiso 1 1 calc R . .
H41B H 0.5373 0.0969 0.4200 0.027 Uiso 1 1 calc R . .
C42 C 0.3308(6) 0.1489(2) 0.4334(8) 0.0285(19) Uani 1 1 d . . .
H42A H 0.3259 0.1278 0.4965 0.034 Uiso 1 1 calc R . .
H42B H 0.2975 0.1713 0.4660 0.034 Uiso 1 1 calc R . .
C46 C 0.2689(7) 0.1698(2) 0.1903(9) 0.0310(19) Uani 1 1 d . . .
H46A H 0.2210 0.1630 0.0942 0.037 Uiso 1 1 calc R . .
H46B H 0.2376 0.1933 0.2178 0.037 Uiso 1 1 calc R . .
C47 C 0.4372(7) 0.1468(2) 0.1316(8) 0.0282(18) Uani 1 1 d . . .
H47A H 0.5117 0.1559 0.1240 0.034 Uiso 1 1 calc R . .
H47B H 0.3892 0.1406 0.0351 0.034 Uiso 1 1 calc R . .
C44 C 0.5218(7) 0.0859(2) 0.1514(9) 0.033(2) Uani 1 1 d . . .
H44A H 0.4758 0.0797 0.0552 0.050 Uiso 1 1 calc R . .
H44B H 0.5392 0.0628 0.2076 0.050 Uiso 1 1 calc R . .
H44C H 0.5933 0.0978 0.1486 0.050 Uiso 1 1 calc R . .
C45 C 0.1384(7) 0.1401(2) 0.2927(10) 0.041(2) Uani 1 1 d . . .
H45A H 0.1192 0.1654 0.3181 0.061 Uiso 1 1 calc R . .
H45B H 0.1289 0.1220 0.3630 0.061 Uiso 1 1 calc R . .
H45C H 0.0876 0.1333 0.1995 0.061 Uiso 1 1 calc R . .
C75 C 0.1570(9) 0.0991(3) -0.2276(9) 0.058(3) Uani 1 1 d . . .
H75A H 0.1870 0.1247 -0.2272 0.088 Uiso 1 1 calc R . .
H75B H 0.0743 0.1002 -0.2425 0.088 Uiso 1 1 calc R . .
H75C H 0.1730 0.0846 -0.3038 0.088 Uiso 1 1 calc R . .
C74 C 0.2133(7) 0.0806(2) -0.0890(9) 0.032(2) Uani 1 1 d . . .
C73 C 0.2506(7) 0.0440(2) -0.0937(9) 0.041(2) Uani 1 1 d . . .
H73 H 0.2329 0.0324 -0.1839 0.049 Uiso 1 1 calc R . .
C72 C 0.3119(7) 0.0226(2) 0.0219(10) 0.037(2) Uani 1 1 d . . .
C71 C 0.3520(9) -0.0167(2) -0.0035(12) 0.056(3) Uani 1 1 d . . .
H71A H 0.3940 -0.0281 0.0869 0.084 Uiso 1 1 calc R . .
H71B H 0.4021 -0.0150 -0.0645 0.084 Uiso 1 1 calc R . .
H71C H 0.2855 -0.0324 -0.0494 0.084 Uiso 1 1 calc R . .
C65 C 0.0217(8) 0.0239(3) 0.3205(12) 0.060(3) Uani 1 1 d . . .
H65A H -0.0106 0.0349 0.3913 0.091 Uiso 1 1 calc R . .
H65B H 0.0270 -0.0034 0.3325 0.091 Uiso 1 1 calc R . .
H65C H -0.0278 0.0300 0.2258 0.091 Uiso 1 1 calc R . .
C64 C 0.1412(8) 0.0402(2) 0.3393(10) 0.041(2) Uani 1 1 d . . .
C63 C 0.2287(8) 0.0320(3) 0.4618(10) 0.048(3) Uani 1 1 d . . .
H63 H 0.2088 0.0172 0.5311 0.058 Uiso 1 1 calc R . .
C62 C 0.3412(8) 0.0431(2) 0.4920(9) 0.037(2) Uani 1 1 d . . .
C61 C 0.4280(9) 0.0288(3) 0.6270(10) 0.055(3) Uani 1 1 d . . .
H61A H 0.4672 0.0066 0.6049 0.083 Uiso 1 1 calc R . .
H61B H 0.3882 0.0220 0.6962 0.083 Uiso 1 1 calc R . .
H61C H 0.4842 0.0485 0.6661 0.083 Uiso 1 1 calc R . .
O1W O 0.3398(6) 0.2484(2) 0.5364(9) 0.062(2) Uani 1 1 d . . .
H2W H 0.338(10) 0.272(3) 0.563(13) 0.10(5) Uiso 1 1 d . . .
H1W H 0.405(9) 0.237(3) 0.569(11) 0.07(4) Uiso 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'
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'
Ni Ni 0.3393 1.1124 '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
C53 Ru1 C54 37.3(4) . . ?
C53 Ru1 C51 62.5(4) . . ?
C54 Ru1 C51 61.9(4) . . ?
C53 Ru1 C52 37.7(4) . . ?
C54 Ru1 C52 62.2(4) . . ?
C51 Ru1 C52 37.3(4) . . ?
C53 Ru1 C55 62.6(4) . . ?
C54 Ru1 C55 37.7(3) . . ?
C51 Ru1 C55 36.3(3) . . ?
C52 Ru1 C55 61.8(4) . . ?
C53 Ru1 P2 121.8(3) . . ?
C54 Ru1 P2 92.7(3) . . ?
C51 Ru1 P2 130.4(3) . . ?
C52 Ru1 P2 154.8(3) . . ?
C55 Ru1 P2 97.5(3) . . ?
C53 Ru1 P1 94.9(3) . . ?
C54 Ru1 P1 125.2(3) . . ?
C51 Ru1 P1 130.6(3) . . ?
C52 Ru1 P1 97.8(3) . . ?
C55 Ru1 P1 157.0(3) . . ?
P2 Ru1 P1 98.99(8) . . ?
C53 Ru1 Cl1 147.1(3) . . ?
C54 Ru1 Cl1 145.8(3) . . ?
C51 Ru1 Cl1 91.1(3) . . ?
C52 Ru1 Cl1 109.4(3) . . ?
C55 Ru1 Cl1 108.2(3) . . ?
P2 Ru1 Cl1 89.90(7) . . ?
P1 Ru1 Cl1 87.85(7) . . ?
O4 Ni1 O1 176.4(2) . . ?
O4 Ni1 O2 91.6(2) . . ?
O1 Ni1 O2 88.0(2) . . ?
O4 Ni1 O3 89.5(2) . . ?
O1 Ni1 O3 86.9(2) . . ?
O2 Ni1 O3 88.2(2) . . ?
O4 Ni1 N1 91.1(2) . . ?
O1 Ni1 N1 89.5(2) . . ?
O2 Ni1 N1 175.7(2) . . ?
O3 Ni1 N1 95.1(2) . . ?
O4 Ni1 N2 88.4(2) . . ?
O1 Ni1 N2 95.2(2) . . ?
O2 Ni1 N2 93.6(2) . . ?
O3 Ni1 N2 177.3(2) . . ?
N1 Ni1 N2 83.2(2) . . ?
C43 P2 C41 97.3(4) . . ?
C43 P2 C42 95.6(4) . . ?
C41 P2 C42 105.0(3) . . ?
C43 P2 Ru1 123.1(3) . . ?
C41 P2 Ru1 120.0(2) . . ?
C42 P2 Ru1 111.9(3) . . ?
C21 P1 C31 101.8(4) . . ?
C21 P1 C11 99.7(4) . . ?
C31 P1 C11 102.6(4) . . ?
C21 P1 Ru1 116.7(3) . . ?
C31 P1 Ru1 112.0(3) . . ?
C11 P1 Ru1 121.3(3) . . ?
C74 O4 Ni1 127.1(5) . . ?
C72 O3 Ni1 125.6(6) . . ?
C64 O2 Ni1 127.7(6) . . ?
C62 O1 Ni1 127.4(6) . . ?
C47 N1 C44 107.6(6) . . ?
C47 N1 C41 110.0(6) . . ?
C44 N1 C41 107.0(6) . . ?
C47 N1 Ni1 113.1(5) . . ?
C44 N1 Ni1 108.2(5) . . ?
C41 N1 Ni1 110.7(4) . . ?
C45 N2 C46 106.5(6) . . ?
C45 N2 C42 106.8(6) . . ?
C46 N2 C42 109.3(6) . . ?
C45 N2 Ni1 109.8(5) . . ?
C46 N2 Ni1 112.4(5) . . ?
C42 N2 Ni1 111.8(5) . . ?
C46 N3 C47 115.7(6) . . ?
C46 N3 C43 114.5(6) . . ?
C47 N3 C43 112.0(6) . . ?
C32 C31 C36 118.5(7) . . ?
C32 C31 P1 123.3(6) . . ?
C36 C31 P1 117.9(6) . . ?
C35 C36 C31 121.5(8) . . ?
C36 C35 C34 118.6(8) . . ?
C33 C34 C35 120.3(8) . . ?
C34 C33 C32 120.3(8) . . ?
C31 C32 C33 120.7(8) . . ?
C26 C21 C22 117.0(8) . . ?
C26 C21 P1 121.1(7) . . ?
C22 C21 P1 121.6(7) . . ?
C25 C26 C21 121.3(10) . . ?
C24 C25 C26 119.8(11) . . ?
C25 C24 C23 121.1(9) . . ?
C24 C23 C22 118.9(10) . . ?
C23 C22 C21 121.8(9) . . ?
C12 C11 C16 119.2(8) . . ?
C12 C11 P1 117.0(6) . . ?
C16 C11 P1 123.8(7) . . ?
C15 C16 C11 120.5(8) . . ?
C16 C15 C14 120.5(9) . . ?
C15 C14 C13 119.5(9) . . ?
C14 C13 C12 120.4(8) . . ?
C13 C12 C11 119.7(8) . . ?
C55 C51 C52 109.2(9) . . ?
C55 C51 Ru1 72.2(5) . . ?
C52 C51 Ru1 71.5(5) . . ?
C51 C55 C54 107.5(9) . . ?
C51 C55 Ru1 71.6(5) . . ?
C54 C55 Ru1 69.9(5) . . ?
C53 C54 C55 108.2(9) . . ?
C53 C54 Ru1 70.6(5) . . ?
C55 C54 Ru1 72.4(5) . . ?
C54 C53 C52 108.2(9) . . ?
C54 C53 Ru1 72.1(5) . . ?
C52 C53 Ru1 72.9(5) . . ?
C51 C52 C53 106.9(9) . . ?
C51 C52 Ru1 71.3(5) . . ?
C53 C52 Ru1 69.4(5) . . ?
N3 C43 P2 108.7(5) . . ?
N1 C41 P2 116.0(5) . . ?
N2 C42 P2 117.1(5) . . ?
N3 C46 N2 115.3(6) . . ?
N3 C47 N1 116.0(6) . . ?
O4 C74 C73 126.1(8) . . ?
O4 C74 C75 117.1(7) . . ?
C73 C74 C75 116.8(8) . . ?
C74 C73 C72 126.1(8) . . ?
O3 C72 C73 125.5(8) . . ?
O3 C72 C71 115.5(9) . . ?
C73 C72 C71 119.1(8) . . ?
O2 C64 C63 124.6(9) . . ?
O2 C64 C65 116.2(9) . . ?
C63 C64 C65 119.1(8) . . ?
C62 C63 C64 126.2(9) . . ?
O1 C62 C63 125.3(8) . . ?
O1 C62 C61 115.5(8) . . ?
C63 C62 C61 119.1(8) . . ?
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 C53 2.159(9) . ?
Ru1 C54 2.178(9) . ?
Ru1 C51 2.202(9) . ?
Ru1 C52 2.206(9) . ?
Ru1 C55 2.211(9) . ?
Ru1 P2 2.288(2) . ?
Ru1 P1 2.312(2) . ?
Ru1 Cl1 2.4410(19) . ?
Ni1 O4 2.019(5) . ?
Ni1 O1 2.030(6) . ?
Ni1 O2 2.044(6) . ?
Ni1 O3 2.053(6) . ?
Ni1 N1 2.182(6) . ?
Ni1 N2 2.188(6) . ?
P2 C43 1.831(8) . ?
P2 C41 1.837(7) . ?
P2 C42 1.854(8) . ?
P1 C21 1.819(8) . ?
P1 C31 1.846(7) . ?
P1 C11 1.848(9) . ?
O4 C74 1.250(9) . ?
O3 C72 1.272(10) . ?
O2 C64 1.252(10) . ?
O1 C62 1.250(10) . ?
N1 C47 1.476(9) . ?
N1 C44 1.479(9) . ?
N1 C41 1.501(9) . ?
N2 C45 1.480(10) . ?
N2 C46 1.483(9) . ?
N2 C42 1.485(9) . ?
N3 C46 1.438(10) . ?
N3 C47 1.441(9) . ?
N3 C43 1.470(9) . ?
C31 C32 1.370(11) . ?
C31 C36 1.398(11) . ?
C36 C35 1.374(11) . ?
C35 C34 1.398(13) . ?
C34 C33 1.366(12) . ?
C33 C32 1.384(11) . ?
C21 C26 1.398(12) . ?
C21 C22 1.399(12) . ?
C26 C25 1.397(13) . ?
C25 C24 1.365(15) . ?
C24 C23 1.380(14) . ?
C23 C22 1.395(12) . ?
C11 C12 1.390(11) . ?
C11 C16 1.394(11) . ?
C16 C15 1.369(12) . ?
C15 C14 1.383(13) . ?
C14 C13 1.384(12) . ?
C13 C12 1.388(11) . ?
C51 C55 1.373(13) . ?
C51 C52 1.408(15) . ?
C55 C54 1.419(13) . ?
C54 C53 1.385(14) . ?
C53 C52 1.410(15) . ?
C75 C74 1.497(12) . ?
C74 C73 1.384(11) . ?
C73 C72 1.397(12) . ?
C72 C71 1.526(11) . ?
C65 C64 1.533(12) . ?
C64 C63 1.395(13) . ?
C63 C62 1.379(12) . ?
C62 C61 1.532(12) . ?
