#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:23:04 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178745 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/56/4085624.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_4085624
loop_
_publ_author_name
'Li, Ke'
'Niu, Jun-Long'
'Yang, Ming-Ze'
'Li, Zhen'
'Wu, Li-Yuan'
'Hao, Xin-Qi'
'Song, Mao-Ping'
_publ_section_title
;
 New Type of 2,6-Bis(imidazo[1,2-a]pyridin-2-yl)pyridine-Based Ruthenium
 Complexes: Active Catalysts for Transfer Hydrogenation of Ketones
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1170
_journal_paper_doi               10.1021/om501119x
_journal_volume                  34
_journal_year                    2015
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C55 H43 Cl N5 P2 Ru, Cl, 2(C H2 Cl2), C Cl2'
_chemical_formula_sum            'C58 H49 Cl8 N5 P2 Ru'
_chemical_formula_weight         1262.63
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2'
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2012-09-04
_audit_creation_method
;
  Olex2 1.2
  (compiled 2012.05.09 svn.r2324, GUI svn.r4230)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4002(3)
_cell_length_b                   19.0341(6)
_cell_length_c                   24.7514(12)
_cell_measurement_reflns_used    8487
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      29.2174
_cell_measurement_theta_min      3.1468
_cell_volume                     5842.0(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      291.15
_diffrn_detector_area_resol_mean 16.2312
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega   28.00   53.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1323   77.0000 -150.0000 50

  2 omega  -42.00   50.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.1323   77.0000  -30.0000 184

  3 omega   -9.00   84.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666   77.0000   90.0000 186

  4 omega    5.00   71.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666   77.0000  -60.0000 132

  5 omega   65.00   90.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666   77.0000  120.0000 50

  6 omega  -10.00   82.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666   77.0000 -150.0000 184

  7 omega   32.00   74.00   0.5000    3.0000
omega____ theta____ kappa____ phi______ frames
    -       19.8666 -178.0000  -90.0000 84
;
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0409656000
_diffrn_orient_matrix_UB_12      0.0155704000
_diffrn_orient_matrix_UB_13      -0.0160191000
_diffrn_orient_matrix_UB_21      -0.0266774000
_diffrn_orient_matrix_UB_22      0.0329054000
_diffrn_orient_matrix_UB_23      0.0017861000
_diffrn_orient_matrix_UB_31      0.0297199000
_diffrn_orient_matrix_UB_32      0.0080624000
_diffrn_orient_matrix_UB_33      0.0236840000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0401
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            24148
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.15
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.731
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96116
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.436
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.495
_refine_diff_density_min         -0.323
_refine_diff_density_rms         0.065
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         5969
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0508
_refine_ls_R_factor_gt           0.0438
_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)+(0.0575P)²+4.3243P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                5406
_reflns_number_total             5969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501119x_si_003.cif
_cod_data_source_block           complex-5
_cod_depositor_comments
'Adding full bibliography for 4085623--4085624.cif.'
_cod_database_code               4085624
#BEGIN Tags that were not found in dictionaries:
_reflns_odcompleteness_completeness 99.70
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, z+1/2'
3 'x, -y, -z'
4 '-x, y, -z+1/2'
5 'x+1/2, y+1/2, z'
6 '-x+1/2, -y+1/2, z+1/2'
7 'x+1/2, -y+1/2, -z'
8 '-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 0.5000 0.774318(16) 0.2500 0.03031(11) Uani 1 2 d S . .
Cl1 Cl 0.5000 0.64647(5) 0.2500 0.0440(3) Uani 1 2 d S . .
Cl2 Cl 0.06753(17) 0.5000 0.5000 0.0849(7) Uani 1 2 d S . .
Cl3 Cl 0.2970(2) 0.33875(19) 0.42591(12) 0.1651(12) Uani 1 1 d . . .
Cl4 Cl 0.4209(4) 0.4676(3) 0.42893(18) 0.244(2) Uani 1 1 d . . .
Cl5 Cl 0.7285(6) 0.5401(5) 0.5451(4) 0.231(3) Uani 0.619(6) 1 d PD A 1
Cl5A Cl 0.7586(9) 0.5883(8) 0.5115(6) 0.231(3) Uani 0.381(6) 1 d P A 2
P1 P 0.30687(7) 0.76791(4) 0.26166(4) 0.0347(2) Uani 1 1 d . . .
N1 N 0.5157(4) 0.8145(3) 0.42135(17) 0.0779(14) Uani 1 1 d . . .
N2 N 0.5110(3) 0.79537(16) 0.33290(13) 0.0424(7) Uani 1 1 d . . .
N3 N 0.5000 0.87900(19) 0.2500 0.0465(10) Uani 1 2 d S . .
C1 C 0.2378(3) 0.8532(2) 0.2668(2) 0.0514(13) Uani 1 1 d . . .
C2 C 0.2494(4) 0.8973(3) 0.2233(3) 0.0734(17) Uani 1 1 d . . .
H2 H 0.2903 0.8833 0.1937 0.088 Uiso 1 1 calc R . .
C3 C 0.1993(6) 0.9635(3) 0.2234(4) 0.112(3) Uani 1 1 d . . .
H3 H 0.2074 0.9935 0.1940 0.135 Uiso 1 1 calc R . .
C4 C 0.1394(7) 0.9833(4) 0.2663(5) 0.130(4) Uani 1 1 d . . .
H4 H 0.1087 1.0278 0.2671 0.156 Uiso 1 1 calc R . .
C5 C 0.1243(7) 0.9398(5) 0.3068(4) 0.137(4) Uani 1 1 d . . .
H5 H 0.0796 0.9536 0.3350 0.165 Uiso 1 1 calc R . .
C6 C 0.1720(5) 0.8745(3) 0.3091(3) 0.095(2) Uani 1 1 d . . .
H6 H 0.1602 0.8452 0.3385 0.114 Uiso 1 1 calc R . .
C7 C 0.2234(3) 0.7250(2) 0.20928(16) 0.0419(8) Uani 1 1 d . . .
C8 C 0.1188(3) 0.7459(3) 0.1993(2) 0.0639(13) Uani 1 1 d . . .
H8 H 0.0897 0.7836 0.2183 0.077 Uiso 1 1 calc R . .
C9 C 0.0561(4) 0.7105(3) 0.1607(2) 0.0736(15) Uani 1 1 d . . .
H9 H -0.0148 0.7244 0.1546 0.088 Uiso 1 1 calc R . .
C10 C 0.0983(4) 0.6565(3) 0.1324(2) 0.0675(14) Uani 1 1 d . . .
H10 H 0.0574 0.6337 0.1062 0.081 Uiso 1 1 calc R . .
C11 C 0.2014(5) 0.6360(4) 0.1426(2) 0.0782(18) Uani 1 1 d . . .
H11 H 0.2304 0.5985 0.1233 0.094 Uiso 1 1 calc R . .
C12 C 0.2636(4) 0.6690(3) 0.1804(2) 0.0600(15) Uani 1 1 d . . .
H12 H 0.3336 0.6536 0.1868 0.072 Uiso 1 1 calc R . .
C13 C 0.2659(3) 0.7203(2) 0.32266(15) 0.0391(8) Uani 1 1 d . . .
C14 C 0.2294(4) 0.6517(3) 0.3206(2) 0.0499(11) Uani 1 1 d . . .
H14 H 0.2241 0.6293 0.2873 0.060 Uiso 1 1 calc R . .
C15 C 0.2009(4) 0.6157(3) 0.3668(2) 0.0614(13) Uani 1 1 d . . .
H15 H 0.1768 0.5696 0.3640 0.074 Uiso 1 1 calc R . .
C16 C 0.2073(4) 0.6461(3) 0.4162(2) 0.0744(16) Uani 1 1 d . . .
H16 H 0.1860 0.6216 0.4469 0.089 Uiso 1 1 calc R . .
C17 C 0.2462(4) 0.7143(4) 0.42028(19) 0.0696(15) Uani 1 1 d . . .
H17 H 0.2524 0.7355 0.4540 0.084 Uiso 1 1 calc R . .
C18 C 0.2760(3) 0.7509(3) 0.37393(19) 0.0560(11) Uani 1 1 d . . .
H18 H 0.3029 0.7964 0.3770 0.067 Uiso 1 1 calc R . .
C19 C 0.5220(6) 0.7957(6) 0.4748(3) 0.114(3) Uani 1 1 d . . .
H19 H 0.5229 0.8303 0.5014 0.136 Uiso 1 1 calc R . .
C20 C 0.5269(6) 0.7295(7) 0.4887(3) 0.127(4) Uani 1 1 d . . .
H20 H 0.5307 0.7173 0.5250 0.153 Uiso 1 1 calc R . .
C21 C 0.5265(5) 0.6765(5) 0.4488(3) 0.098(2) Uani 1 1 d . . .
H21 H 0.5314 0.6297 0.4592 0.118 Uiso 1 1 calc R . .
C22 C 0.5190(4) 0.6930(3) 0.3955(2) 0.0687(15) Uani 1 1 d . . .
H22 H 0.5151 0.6579 0.3694 0.082 Uiso 1 1 calc R . .
C23 C 0.5171(3) 0.7636(3) 0.38072(16) 0.0525(11) Uani 1 1 d . . .
C24 C 0.5093(5) 0.8788(3) 0.3975(2) 0.0785(16) Uani 1 1 d . . .
H24 H 0.5081 0.9221 0.4150 0.094 Uiso 1 1 calc R . .
C25 C 0.5053(4) 0.8675(2) 0.34320(19) 0.0570(11) Uani 1 1 d . . .
C26 C 0.4995(4) 0.91393(19) 0.2971(2) 0.0614(12) Uani 1 1 d . . .
C27 C 0.4961(6) 0.9877(2) 0.2971(3) 0.095(2) Uani 1 1 d . . .
H27 H 0.4912 1.0118 0.3297 0.113 Uiso 1 1 calc R . .
C28 C 0.5000 1.0242(3) 0.2500 0.115(4) Uani 1 2 d S . .
H28 H 0.5000 1.0731 0.2500 0.138 Uiso 1 2 calc SR . .
C29 C 0.3059(11) 0.4205(8) 0.4467(5) 0.193(6) Uani 1 1 d . . .
H29A H 0.3008 0.4204 0.4859 0.232 Uiso 1 1 calc R . .
H29B H 0.2437 0.4458 0.4331 0.232 Uiso 1 1 calc R . .
C30 C 0.804(2) 0.5000 0.5000 0.271(12) Uiso 1 2 d SD . .
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'
Cl Cl 0.1484 0.1585 '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'
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
P1 Ru1 Cl1 87.11(2) 4_655 .
P1 Ru1 Cl1 87.10(2) . .
P1 Ru1 P1 174.21(4) 4_655 .
N2 Ru1 Cl1 101.02(9) . .
N2 Ru1 Cl1 101.02(9) 4_655 .
N2 Ru1 P1 93.56(10) 4_655 .
N2 Ru1 P1 87.54(10) . .
N2 Ru1 P1 87.54(10) 4_655 4_655
N2 Ru1 P1 93.56(10) . 4_655
N2 Ru1 N2 157.95(17) . 4_655
N3 Ru1 Cl1 180.0 . .
N3 Ru1 P1 92.89(2) . 4_655
N3 Ru1 P1 92.90(2) . .
N3 Ru1 N2 78.98(9) . .
N3 Ru1 N2 78.98(9) . 4_655
C1 P1 Ru1 115.15(14) . .
C1 P1 C7 100.2(2) . .
C7 P1 Ru1 119.59(13) . .
C13 P1 Ru1 113.47(11) . .
C13 P1 C1 104.5(2) . .
C13 P1 C7 101.79(18) . .
C19 N1 C23 120.8(6) . .
C24 N1 C19 130.9(6) . .
C24 N1 C23 108.2(4) . .
C23 N2 Ru1 142.0(3) . .
C23 N2 C25 106.7(4) . .
C25 N2 Ru1 111.3(3) . .
C26 N3 Ru1 119.7(2) 4_655 .
C26 N3 Ru1 119.7(2) . .
C26 N3 C26 120.7(5) . 4_655
C2 C1 P1 115.8(4) . .
C2 C1 C6 118.3(5) . .
C6 C1 P1 125.8(4) . .
C1 C2 H2 120.0 . .
C1 C2 C3 120.0(6) . .
C3 C2 H2 120.0 . .
C2 C3 H3 120.1 . .
C4 C3 C2 119.7(7) . .
C4 C3 H3 120.1 . .
C3 C4 H4 119.9 . .
C5 C4 C3 120.2(6) . .
C5 C4 H4 119.9 . .
C4 C5 H5 118.7 . .
C4 C5 C6 122.6(9) . .
C6 C5 H5 118.7 . .
C1 C6 H6 120.5 . .
C5 C6 C1 119.1(7) . .
C5 C6 H6 120.5 . .
C8 C7 P1 121.6(4) . .
C12 C7 P1 120.2(3) . .
C12 C7 C8 118.1(4) . .
C7 C8 H8 119.9 . .
C7 C8 C9 120.3(5) . .
C9 C8 H8 119.9 . .
C8 C9 H9 119.8 . .
C10 C9 C8 120.3(5) . .
C10 C9 H9 119.8 . .
C9 C10 H10 120.5 . .
C9 C10 C11 119.1(5) . .
C11 C10 H10 120.5 . .
C10 C11 H11 119.2 . .
C10 C11 C12 121.6(6) . .
C12 C11 H11 119.2 . .
C7 C12 H12 119.7 . .
C11 C12 C7 120.5(5) . .
C11 C12 H12 119.7 . .
C14 C13 P1 121.8(3) . .
C14 C13 C18 117.1(4) . .
C18 C13 P1 121.0(3) . .
C13 C14 H14 119.3 . .
C15 C14 C13 121.4(5) . .
C15 C14 H14 119.3 . .
C14 C15 H15 119.3 . .
C16 C15 C14 121.5(5) . .
C16 C15 H15 119.3 . .
C15 C16 H16 120.5 . .
C15 C16 C17 119.0(5) . .
C17 C16 H16 120.5 . .
C16 C17 H17 120.0 . .
C16 C17 C18 120.1(5) . .
C18 C17 H17 120.0 . .
C13 C18 H18 119.6 . .
C17 C18 C13 120.9(5) . .
C17 C18 H18 119.6 . .
N1 C19 H19 119.8 . .
C20 C19 N1 120.4(7) . .
C20 C19 H19 119.8 . .
C19 C20 H20 119.8 . .
C19 C20 C21 120.4(7) . .
C21 C20 H20 119.8 . .
C20 C21 H21 119.5 . .
C22 C21 C20 120.9(8) . .
C22 C21 H21 119.5 . .
C21 C22 H22 120.7 . .
C21 C22 C23 118.6(6) . .
C23 C22 H22 120.7 . .
N2 C23 N1 108.9(5) . .
N2 C23 C22 132.2(4) . .
C22 C23 N1 118.7(4) . .
N1 C24 H24 126.7 . .
N1 C24 C25 106.7(4) . .
C25 C24 H24 126.7 . .
N2 C25 C26 117.4(3) . .
C24 C25 N2 109.5(5) . .
C24 C25 C26 133.1(4) . .
N3 C26 C25 112.5(3) . .
N3 C26 C27 119.6(5) . .
C27 C26 C25 127.9(5) . .
C26 C27 H27 119.6 . .
C28 C27 C26 120.8(6) . .
C28 C27 H27 119.6 . .
C27 C28 C27 118.4(6) 4_655 .
C27 C28 H28 120.8 . .
C27 C28 H28 120.8 4_655 .
Cl3 C29 Cl4 117.6(7) . .
Cl3 C29 H29A 107.9 . .
Cl3 C29 H29B 107.9 . .
Cl4 C29 H29A 107.9 . .
Cl4 C29 H29B 107.9 . .
H29A C29 H29B 107.2 . .
Cl5 C30 Cl5 110.9(18) 3_566 .
Cl5 C30 Cl5A 44.0(5) . .
Cl5 C30 Cl5A 111.5(13) 3_566 .
Cl5 C30 Cl5A 111.5(13) . 3_566
Cl5 C30 Cl5A 44.0(5) 3_566 3_566
Cl5A C30 Cl5A 143.8(18) 3_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Cl1 2.4334(10) .
Ru1 P1 2.4152(8) 4_655
Ru1 P1 2.4153(8) .
Ru1 N2 2.095(3) 4_655
Ru1 N2 2.095(3) .
Ru1 N3 1.993(4) .
Cl3 C29 1.643(13) .
Cl4 C29 1.741(13) .
Cl5 C30 1.641(14) .
Cl5A C30 1.794(17) .
P1 C1 1.840(4) .
P1 C7 1.849(4) .
P1 C13 1.832(4) .
N1 C19 1.374(9) .
N1 C23 1.397(6) .
N1 C24 1.361(8) .
N2 C23 1.331(6) .
N2 C25 1.398(5) .
N3 C26 1.343(5) .
N3 C26 1.343(5) 4_655
C1 C2 1.373(7) .
C1 C6 1.388(7) .
C2 H2 0.9300 .
C2 C3 1.405(8) .
C3 H3 0.9300 .
C3 C4 1.349(12) .
C4 H4 0.9300 .
C4 C5 1.314(13) .
C5 H5 0.9300 .
C5 C6 1.376(9) .
C6 H6 0.9300 .
C7 C8 1.378(6) .
C7 C12 1.376(7) .
C8 H8 0.9300 .
C8 C9 1.404(7) .
C9 H9 0.9300 .
C9 C10 1.350(8) .
C10 H10 0.9300 .
C10 C11 1.362(8) .
C11 H11 0.9300 .
C11 C12 1.367(7) .
C12 H12 0.9300 .
C13 C14 1.384(6) .
C13 C18 1.402(6) .
C14 H14 0.9300 .
C14 C15 1.379(7) .
C15 H15 0.9300 .
C15 C16 1.355(8) .
C16 H16 0.9300 .
C16 C17 1.388(8) .
C17 H17 0.9300 .
C17 C18 1.393(7) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C19 C20 1.307(12) .
C20 H20 0.9300 .
C20 C21 1.411(12) .
C21 H21 0.9300 .
C21 C22 1.361(7) .
C22 H22 0.9300 .
C22 C23 1.392(7) .
C24 H24 0.9300 .
C24 C25 1.363(7) .
C25 C26 1.444(7) .
C26 C27 1.405(6) .
C27 H27 0.9300 .
C27 C28 1.358(7) .
C28 C27 1.358(7) 4_655
C28 H28 0.9300 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 Cl5 1.641(14) 3_566
C30 Cl5A 1.794(17) 3_566
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
Ru1 P1 C1 C2 59.5(4) . .
Ru1 P1 C1 C6 -124.0(5) . .
Ru1 P1 C7 C8 -149.5(3) . .
Ru1 P1 C7 C12 33.0(4) . .
Ru1 P1 C13 C14 -101.6(3) . .
Ru1 P1 C13 C18 74.8(3) . .
Ru1 N2 C23 N1 -176.2(4) . .
Ru1 N2 C23 C22 0.1(9) . .
Ru1 N2 C25 C24 178.1(4) . .
Ru1 N2 C25 C26 -3.4(6) . .
Ru1 N3 C26 C25 3.4(5) . .
Ru1 N3 C26 C27 -178.1(5) . .
Cl1 Ru1 P1 C1 179.15(17) . .
Cl1 Ru1 P1 C7 -61.34(16) . .
Cl1 Ru1 P1 C13 58.84(15) . .
Cl1 Ru1 N2 C23 -0.2(5) . .
Cl1 Ru1 N2 C25 -176.1(3) . .
Cl1 Ru1 N3 C26 -90(100) . .
Cl1 Ru1 N3 C26 90(100) . 4_655
P1 Ru1 P1 C1 179.13(17) 4_655 .
P1 Ru1 P1 C7 -61.35(16) 4_655 .
P1 Ru1 P1 C13 58.82(15) 4_655 .
P1 Ru1 N2 C23 -87.9(5) 4_655 .
P1 Ru1 N2 C23 86.4(5) . .
P1 Ru1 N2 C25 96.1(3) 4_655 .
P1 Ru1 N2 C25 -89.6(3) . .
P1 Ru1 N3 C26 82.8(3) 4_655 4_655
P1 Ru1 N3 C26 -97.2(3) . 4_655
P1 Ru1 N3 C26 -97.2(3) 4_655 .
P1 Ru1 N3 C26 82.8(3) . .
P1 C1 C2 C3 179.8(4) . .
P1 C1 C6 C5 -178.9(6) . .
P1 C7 C8 C9 -177.5(4) . .
P1 C7 C12 C11 178.4(5) . .
P1 C13 C14 C15 178.6(4) . .
P1 C13 C18 C17 -179.1(3) . .
N1 C19 C20 C21 0.5(12) . .
N1 C24 C25 N2 -1.0(8) . .
N1 C24 C25 C26 -179.1(6) . .
N2 Ru1 P1 C1 -79.98(19) 4_655 .
N2 Ru1 P1 C1 78.0(2) . .
N2 Ru1 P1 C7 39.54(18) 4_655 .
N2 Ru1 P1 C7 -162.51(18) . .
N2 Ru1 P1 C13 -42.34(17) . .
N2 Ru1 P1 C13 159.71(17) 4_655 .
N2 Ru1 N2 C23 179.8(5) 4_655 .
N2 Ru1 N2 C25 3.9(3) 4_655 .
N2 Ru1 N3 C26 -4.1(3) . .
N2 Ru1 N3 C26 175.9(3) 4_655 .
N2 Ru1 N3 C26 -4.1(3) 4_655 4_655
N2 Ru1 N3 C26 175.9(3) . 4_655
N2 C25 C26 N3 0.3(7) . .
N2 C25 C26 C27 -178.1(6) . .
N3 Ru1 P1 C1 -0.85(17) . .
N3 Ru1 P1 C7 118.66(16) . .
N3 Ru1 P1 C13 -121.16(15) . .
N3 Ru1 N2 C23 179.8(5) . .
N3 Ru1 N2 C25 3.9(3) . .
N3 C26 C27 C28 -4.0(9) . .
C1 P1 C7 C8 -22.6(4) . .
C1 P1 C7 C12 159.9(4) . .
C1 P1 C13 C14 132.2(3) . .
C1 P1 C13 C18 -51.4(3) . .
C1 C2 C3 C4 -0.4(10) . .
C2 C1 C6 C5 -2.5(10) . .
C2 C3 C4 C5 -2.8(14) . .
C3 C4 C5 C6 3.3(16) . .
C4 C5 C6 C1 -0.7(14) . .
C6 C1 C2 C3 3.0(8) . .
C7 P1 C1 C2 -70.2(4) . .
C7 P1 C1 C6 106.3(5) . .
C7 P1 C13 C14 28.2(4) . .
C7 P1 C13 C18 -155.4(3) . .
C7 C8 C9 C10 -1.1(8) . .
C8 C7 C12 C11 0.8(8) . .
C8 C9 C10 C11 1.4(9) . .
C9 C10 C11 C12 -0.5(10) . .
C10 C11 C12 C7 -0.6(10) . .
C12 C7 C8 C9 0.0(7) . .
C13 P1 C1 C2 -175.3(3) . .
C13 P1 C1 C6 1.2(5) . .
C13 P1 C7 C8 84.6(4) . .
C13 P1 C7 C12 -92.9(4) . .
C13 C14 C15 C16 0.1(8) . .
C14 C13 C18 C17 -2.5(6) . .
C14 C15 C16 C17 -1.7(8) . .
C15 C16 C17 C18 1.3(8) . .
C16 C17 C18 C13 0.9(7) . .
C18 C13 C14 C15 2.1(6) . .
C19 N1 C23 N2 -179.4(5) . .
C19 N1 C23 C22 3.6(7) . .
C19 N1 C24 C25 179.7(6) . .
C19 C20 C21 C22 -1.3(11) . .
C20 C21 C22 C23 3.2(9) . .
C21 C22 C23 N1 -4.3(8) . .
C21 C22 C23 N2 179.6(5) . .
C23 N1 C19 C20 -1.7(10) . .
C23 N1 C24 C25 0.9(7) . .
C23 N2 C25 C24 0.7(6) . .
C23 N2 C25 C26 179.2(5) . .
C24 N1 C19 C20 179.6(8) . .
C24 N1 C23 N2 -0.5(6) . .
C24 N1 C23 C22 -177.4(5) . .
C24 C25 C26 N3 178.3(6) . .
C24 C25 C26 C27 -0.2(12) . .
C25 N2 C23 N1 -0.1(5) . .
C25 N2 C23 C22 176.2(6) . .
C25 C26 C27 C28 174.3(5) . .
C26 N3 C26 C25 -176.6(5) 4_655 .
C26 N3 C26 C27 1.9(5) 4_655 .
C26 C27 C28 C27 2.0(5) . 4_655
