#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:08:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179314 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/11/4321117.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_4321117
loop_
_publ_author_name
'Aldrik H. Velders'
'Huub Kooijman'
'Anthony L. Spek'
'Jaap G. Haasnoot'
'Dick de Vos'
'Jan Reedijk'
_publ_contact_author_address
;   Bijvoet Center for Biomolecular Research
    Department of Crystal and Structural Chemistry
    Utrecht University
    Padualaan 8
    3584 CH Utrecht
    The Netherlands
;
_publ_contact_author_email       spea@chem.uu.nl
_publ_contact_author_fax         '+31 30 2533940'
_publ_contact_author_name        '   Dr. A.L. Spek'
_publ_contact_author_phone       '+31 30 2532538'
_publ_section_title
;
 Strong Differences in the in Vitro Cytotoxicity of Three Isomeric
 Dichlorobis(2-phenylazopyridine)ruthenium(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2966
_journal_page_last               2967
_journal_paper_doi               10.1021/ic000167t
_journal_volume                  39
_journal_year                    2000
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C22 H18 Cl2 N6 Ru'
_chemical_formula_sum            'C22 H18 Cl2 N6 Ru'
_chemical_formula_weight         538.39
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           170
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 65'
_symmetry_space_group_name_H-M   'P 65'
_audit_creation_date             'Jan 31 12:16:55 2000'
_audit_creation_method           'PLATON <TABLE ACC> option'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   22.2928(19)
_cell_length_b                   22.2928(19)
_cell_length_c                   8.5121(10)
_cell_measurement_reflns_used    1154
_cell_measurement_temperature    150
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      2.0
_cell_volume                     3663.5(6)
_computing_cell_refinement       'Denzo (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius, 1999)'
_computing_data_reduction        'Denzo (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2000)'
_computing_publication_material  'PLATON (Spek, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'Area detector φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_sigmaI/netI    0.0602
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            23221
_diffrn_reflns_reduction_process
;
 ?
;
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         1.05
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  1.284
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Spek, 2000)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1620
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.106
_refine_ls_abs_structure_details 'Flack H.D. (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         5428
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.190
_refine_ls_R_factor_all          0.0653
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fₒ²)+(0.0000P)²+13.1718P] where P=(Fₒ²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                4909
_reflns_number_total             5428
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic000167t.cif
_cod_data_source_block           gamma-Cl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4321117
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,5/6+z
-y,x-y,2/3+z
-x,-y,1/2+z
-x+y,-x,1/3+z
y,-x+y,1/6+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ru1 Ru Uani 0.61909(2) 0.77474(2) 0.42757(7) 1.000 0.0183(1)
Cl1 Cl Uani 0.69990(8) 0.87167(7) 0.57743(17) 1.000 0.0263(4)
Cl2 Cl Uani 0.55255(8) 0.67240(8) 0.27955(17) 1.000 0.0279(4)
N1 N Uani 0.6975(3) 0.7997(2) 0.2579(7) 1.000 0.0266(16)
N7 N Uani 0.6307(3) 0.8402(3) 0.1300(6) 1.000 0.0306(17)
N8 N Uani 0.6003(2) 0.8277(2) 0.2664(6) 1.000 0.0216(12)
N21 N Uani 0.6353(2) 0.7146(2) 0.5935(6) 1.000 0.0201(12)
N27 N Uani 0.5532(3) 0.7301(3) 0.7275(5) 1.000 0.0234(17)
N28 N Uani 0.5483(2) 0.7549(2) 0.5922(6) 1.000 0.0194(12)
C2 C Uani 0.6830(3) 0.8237(3) 0.1253(7) 1.000 0.0271(19)
C3 C Uani 0.7226(4) 0.8359(4) -0.0107(8) 1.000 0.040(2)
C4 C Uani 0.7781(5) 0.8273(5) -0.0037(10) 1.000 0.051(3)
C5 C Uani 0.7951(5) 0.8048(5) 0.1311(10) 1.000 0.059(3)
C6 C Uani 0.7534(4) 0.7929(4) 0.2630(10) 1.000 0.040(2)
C9 C Uani 0.5537(3) 0.8542(3) 0.2737(7) 1.000 0.0269(17)
C10 C Uani 0.5040(4) 0.8367(4) 0.1590(8) 1.000 0.036(2)
C11 C Uani 0.4620(4) 0.8664(5) 0.1609(9) 1.000 0.051(3)
C12 C Uani 0.4716(4) 0.9144(4) 0.2779(11) 1.000 0.048(3)
C13 C Uani 0.5202(4) 0.9305(4) 0.3926(10) 1.000 0.041(3)
C14 C Uani 0.5623(3) 0.9001(3) 0.3922(8) 1.000 0.0280(19)
C22 C Uani 0.6009(3) 0.7087(3) 0.7279(6) 1.000 0.0196(17)
C23 C Uani 0.6073(4) 0.6766(4) 0.8620(8) 1.000 0.034(2)
C24 C Uani 0.6503(4) 0.6487(4) 0.8562(8) 1.000 0.033(2)
C25 C Uani 0.6852(4) 0.6536(3) 0.7164(8) 1.000 0.032(2)
C26 C Uani 0.6759(3) 0.6855(3) 0.5899(8) 1.000 0.0267(17)
C29 C Uani 0.4901(3) 0.7669(3) 0.5925(8) 1.000 0.0230(17)
C30 C Uani 0.4424(3) 0.7385(3) 0.4709(7) 1.000 0.0268(17)
C31 C Uani 0.3835(4) 0.7450(4) 0.4788(8) 1.000 0.037(2)
C32 C Uani 0.3740(3) 0.7802(4) 0.5995(9) 1.000 0.038(2)
C33 C Uani 0.4227(4) 0.8099(4) 0.7164(8) 1.000 0.038(3)
C34 C Uani 0.4817(3) 0.8028(3) 0.7157(7) 1.000 0.026(2)
H3 H Uiso 0.71060 0.84990 -0.10550 1.000 0.0480
H4 H Uiso 0.80650 0.83700 -0.09420 1.000 0.0610
H5 H Uiso 0.83370 0.79760 0.13420 1.000 0.0710
H6 H Uiso 0.76530 0.77960 0.35890 1.000 0.0480
H10 H Uiso 0.49840 0.80460 0.07910 1.000 0.0430
H11 H Uiso 0.42710 0.85420 0.08350 1.000 0.0610
H12 H Uiso 0.44410 0.93610 0.27770 1.000 0.0580
H13 H Uiso 0.52570 0.96250 0.47290 1.000 0.0480
H14 H Uiso 0.59600 0.91090 0.47200 1.000 0.0340
H23 H Uiso 0.58270 0.67390 0.95520 1.000 0.0400
H24 H Uiso 0.65610 0.62670 0.94570 1.000 0.0390
H25 H Uiso 0.71510 0.63490 0.70960 1.000 0.0380
H26 H Uiso 0.69910 0.68740 0.49480 1.000 0.0320
H30 H Uiso 0.44970 0.71550 0.38540 1.000 0.0320
H31 H Uiso 0.34920 0.72470 0.39910 1.000 0.0450
H32 H Uiso 0.33350 0.78400 0.60240 1.000 0.0450
H33 H Uiso 0.41640 0.83530 0.79790 1.000 0.0460
H34 H Uiso 0.51500 0.82200 0.79750 1.000 0.0310
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 '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'
Cl Cl 0.1484 0.1585 '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'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1 Ru1 Cl2 170.50(7) . . . yes
Cl1 Ru1 N1 88.64(14) . . . yes
Cl1 Ru1 N8 96.87(13) . . . yes
Cl1 Ru1 N21 85.71(12) . . . yes
Cl1 Ru1 N28 88.88(13) . . . yes
Cl2 Ru1 N1 85.83(13) . . . yes
Cl2 Ru1 N8 89.34(13) . . . yes
Cl2 Ru1 N21 88.15(12) . . . yes
Cl2 Ru1 N28 96.63(13) . . . yes
N1 Ru1 N8 76.4(2) . . . yes
N1 Ru1 N21 104.1(2) . . . yes
N1 Ru1 N28 177.52(18) . . . yes
N8 Ru1 N21 177.40(17) . . . yes
N8 Ru1 N28 103.8(2) . . . yes
N21 Ru1 N28 75.80(19) . . . yes
Ru1 N1 C2 110.1(5) . . . yes
Ru1 N1 C6 130.2(5) . . . yes
C2 N1 C6 119.6(7) . . . yes
N8 N7 C2 112.7(5) . . . yes
Ru1 N8 N7 120.1(4) . . . yes
Ru1 N8 C9 128.9(4) . . . yes
N7 N8 C9 111.0(5) . . . yes
Ru1 N21 C22 111.3(4) . . . yes
Ru1 N21 C26 131.4(4) . . . yes
C22 N21 C26 117.2(5) . . . yes
N28 N27 C22 113.2(5) . . . yes
Ru1 N28 N27 119.4(4) . . . yes
Ru1 N28 C29 130.1(4) . . . yes
N27 N28 C29 110.4(5) . . . yes
N1 C2 N7 118.6(6) . . . yes
N1 C2 C3 121.0(7) . . . yes
N7 C2 C3 120.3(6) . . . yes
C2 C3 C4 118.2(7) . . . no
C3 C4 C5 121.9(9) . . . no
C4 C5 C6 117.4(11) . . . no
N1 C6 C5 121.7(8) . . . yes
N8 C9 C10 120.0(6) . . . yes
N8 C9 C14 118.5(6) . . . yes
C10 C9 C14 121.4(7) . . . no
C9 C10 C11 119.6(7) . . . no
C10 C11 C12 119.4(8) . . . no
C11 C12 C13 120.5(9) . . . no
C12 C13 C14 120.3(8) . . . no
C9 C14 C13 118.7(7) . . . no
N21 C22 N27 117.9(5) . . . yes
N21 C22 C23 123.2(7) . . . yes
N27 C22 C23 118.6(6) . . . yes
C22 C23 C24 118.4(7) . . . no
C23 C24 C25 118.7(7) . . . no
C24 C25 C26 119.4(8) . . . no
N21 C26 C25 123.1(7) . . . yes
N28 C29 C30 117.8(6) . . . yes
N28 C29 C34 119.9(6) . . . yes
C30 C29 C34 122.2(7) . . . no
C29 C30 C31 117.6(6) . . . no
C30 C31 C32 121.3(7) . . . no
C31 C32 C33 120.5(8) . . . no
C32 C33 C34 120.2(7) . . . no
C29 C34 C33 118.3(6) . . . no
C2 C3 H3 120.86 . . . no
C4 C3 H3 120.96 . . . no
C3 C4 H4 119.15 . . . no
C5 C4 H4 118.95 . . . no
C4 C5 H5 121.38 . . . no
C6 C5 H5 121.21 . . . no
N1 C6 H6 119.17 . . . no
C5 C6 H6 119.14 . . . no
C9 C10 H10 120.33 . . . no
C11 C10 H10 120.07 . . . no
C10 C11 H11 120.37 . . . no
C12 C11 H11 120.23 . . . no
C11 C12 H12 119.78 . . . no
C13 C12 H12 119.69 . . . no
C12 C13 H13 119.91 . . . no
C14 C13 H13 119.79 . . . no
C9 C14 H14 120.63 . . . no
C13 C14 H14 120.66 . . . no
C22 C23 H23 120.90 . . . no
C24 C23 H23 120.72 . . . no
C23 C24 H24 120.59 . . . no
C25 C24 H24 120.67 . . . no
C24 C25 H25 120.29 . . . no
C26 C25 H25 120.34 . . . no
N21 C26 H26 118.55 . . . no
C25 C26 H26 118.37 . . . no
C29 C30 H30 121.21 . . . no
C31 C30 H30 121.20 . . . no
C30 C31 H31 119.46 . . . no
C32 C31 H31 119.29 . . . no
C31 C32 H32 119.78 . . . no
C33 C32 H32 119.75 . . . no
C32 C33 H33 119.98 . . . no
C34 C33 H33 119.85 . . . no
C29 C34 H34 120.91 . . . no
C33 C34 H34 120.83 . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 Cl1 2.3768(15) . . yes
Ru1 Cl2 2.3683(16) . . yes
Ru1 N1 2.116(6) . . yes
Ru1 N8 1.986(5) . . yes
Ru1 N21 2.099(5) . . yes
Ru1 N28 1.988(5) . . yes
N1 C2 1.356(9) . . yes
N1 C6 1.329(12) . . yes
N7 N8 1.302(8) . . yes
N7 C2 1.387(10) . . yes
N8 C9 1.430(9) . . yes
N21 C22 1.347(8) . . yes
N21 C26 1.352(9) . . yes
N27 N28 1.306(7) . . yes
N27 C22 1.366(10) . . yes
N28 C29 1.450(9) . . yes
C2 C3 1.398(10) . . no
C3 C4 1.345(16) . . no
C4 C5 1.379(14) . . no
C5 C6 1.396(13) . . no
C9 C10 1.379(11) . . no
C9 C14 1.380(9) . . no
C10 C11 1.391(14) . . no
C11 C12 1.398(12) . . no
C12 C13 1.366(13) . . no
C13 C14 1.406(12) . . no
C22 C23 1.392(9) . . no
C23 C24 1.380(14) . . no
C24 C25 1.396(11) . . no
C25 C26 1.362(10) . . no
C29 C30 1.389(9) . . no
C29 C34 1.388(9) . . no
C30 C31 1.393(12) . . no
C31 C32 1.372(11) . . no
C32 C33 1.374(11) . . no
C33 C34 1.401(12) . . no
C3 H3 0.9506 . . no
C4 H4 0.9509 . . no
C5 H5 0.9513 . . no
C6 H6 0.9504 . . no
C10 H10 0.9492 . . no
C11 H11 0.9496 . . no
C12 H12 0.9521 . . no
C13 H13 0.9506 . . no
C14 H14 0.9502 . . no
C23 H23 0.9491 . . no
C24 H24 0.9492 . . no
C25 H25 0.9483 . . no
C26 H26 0.9501 . . no
C30 H30 0.9500 . . no
C31 H31 0.9506 . . no
C32 H32 0.9484 . . no
C33 H33 0.9493 . . no
C34 H34 0.9494 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Ru1 H14 3.3443 . . no
Ru1 H30 3.3385 . . no
Cl1 N27 3.459(6) . . no
Cl1 C26 3.587(8) . 6_565 no
Cl1 C6 3.482(11) . 6_565 no
Cl2 N7 3.483(6) . . no
Cl1 H14 2.9934 . . no
Cl1 H6 2.7951 . 6_565 no
Cl1 H26 2.8415 . 6_565 no
Cl1 H3 2.7735 . 1_556 no
Cl2 H23 2.8378 . 1_554 no
Cl2 H30 3.0323 . . no
Cl2 H11 2.8113 . 5_565 no
Cl2 H33 2.9140 . 5_564 no
N7 Cl2 3.483(6) . . no
N7 C25 3.375(10) . 6_564 no
N27 Cl1 3.459(6) . . no
N27 C32 3.402(11) . 5_565 no
N7 H10 2.6787 . . no
N7 H25 2.7670 . 6_564 no
N27 H34 2.6499 . . no
N27 H32 2.6735 . 5_565 no
C3 C22 3.558(10) . 1_554 no
C3 C23 3.356(11) . 1_554 no
C6 C26 3.511(11) . . no
C6 Cl1 3.482(10) . 2_654 no
C9 C30 3.038(9) . . no
C9 C29 3.225(9) . . no
C9 C24 3.545(11) . 6_564 no
C10 C30 3.274(9) . . no
C14 C30 3.308(8) . . no
C14 C34 3.409(9) . . no
C14 C29 3.088(9) . . no
C22 C3 3.558(10) . 1_556 no
C23 C3 3.356(11) . 1_556 no
C24 C9 3.545(11) . 2_655 no
C25 N7 3.375(12) . 2_655 no
C26 Cl1 3.587(8) . 2_654 no
C26 C6 3.511(11) . . no
C29 C9 3.225(9) . . no
C29 C14 3.088(9) . . no
C30 C9 3.038(9) . . no
C30 C10 3.274(9) . . no
C30 C14 3.308(8) . . no
C32 N27 3.402(11) . 3_664 no
C34 C14 3.409(9) . . no
C6 H26 2.8360 . . no
C9 H30 2.9447 . . no
C9 H24 2.6542 . 6_564 no
C10 H24 2.8957 . 6_564 no
C10 H30 3.0346 . . no
C14 H24 2.8193 . 6_564 no
C26 H6 2.8387 . . no
C29 H31 2.8341 . 5_565 no
C29 H14 3.0581 . . no
C30 H31 2.8437 . 5_565 no
C31 H31 2.9544 . 5_565 no
C34 H31 3.0141 . 5_565 no
H3 Cl1 2.7735 . 1_554 no
H6 C26 2.8387 . . no
H6 H26 2.1697 . . no
H6 Cl1 2.7951 . 2_654 no
H10 N7 2.6787 . . no
H10 H34 2.4268 . 1_554 no
H11 H33 2.4584 . 1_554 no
H11 Cl2 2.8113 . 3_664 no
H14 Ru1 3.3443 . . no
H14 Cl1 2.9934 . . no
H14 C29 3.0581 . . no
H14 H26 2.4928 . 6_565 no
H23 Cl2 2.8378 . 1_556 no
H24 C9 2.6542 . 2_655 no
H24 C10 2.8957 . 2_655 no
H24 C14 2.8193 . 2_655 no
H25 N7 2.7670 . 2_655 no
H25 H34 2.5534 . 2_654 no
H26 C6 2.8360 . . no
H26 H6 2.1697 . . no
H26 Cl1 2.8415 . 2_654 no
H26 H14 2.4928 . 2_654 no
H30 Ru1 3.3385 . . no
H30 Cl2 3.0323 . . no
H30 C9 2.9447 . . no
H30 C10 3.0346 . . no
H31 C29 2.8341 . 3_664 no
H31 C30 2.8437 . 3_664 no
H31 C31 2.9544 . 3_664 no
H31 C34 3.0141 . 3_664 no
H32 N27 2.6735 . 3_664 no
H33 H11 2.4584 . 1_556 no
H33 Cl2 2.9140 . 3_665 no
H34 N27 2.6499 . . no
H34 H10 2.4268 . 1_556 no
H34 H25 2.5534 . 6_565 no
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C3 H3 Cl1 0.9506 2.7735 3.686(7) 161.17 1_554 yes
C6 H6 Cl1 0.9504 2.7951 3.482(10) 129.87 2_654 yes
C11 H11 Cl2 0.9496 2.8113 3.651(10) 147.91 3_664 yes
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl1 Ru1 N1 C2 -109.8(4) . . . . no
Cl1 Ru1 N1 C6 72.8(6) . . . . no
Cl2 Ru1 N1 C2 77.9(4) . . . . no
Cl2 Ru1 N1 C6 -99.5(6) . . . . no
N8 Ru1 N1 C2 -12.4(4) . . . . no
N8 Ru1 N1 C6 170.2(6) . . . . no
N21 Ru1 N1 C2 165.0(4) . . . . no
N21 Ru1 N1 C6 -12.5(6) . . . . no
Cl1 Ru1 N8 N7 99.9(4) . . . . no
Cl1 Ru1 N8 C9 -82.8(4) . . . . no
Cl2 Ru1 N8 N7 -72.9(4) . . . . no
Cl2 Ru1 N8 C9 104.4(4) . . . . no
N1 Ru1 N8 N7 13.0(4) . . . . no
N1 Ru1 N8 C9 -169.7(5) . . . . no
N28 Ru1 N8 N7 -169.6(4) . . . . no
N28 Ru1 N8 C9 7.8(5) . . . . no
Cl1 Ru1 N21 C22 77.3(4) . . . . no
Cl1 Ru1 N21 C26 -98.7(5) . . . . no
Cl2 Ru1 N21 C22 -109.9(4) . . . . no
Cl2 Ru1 N21 C26 74.1(5) . . . . no
N1 Ru1 N21 C22 164.8(4) . . . . no
N1 Ru1 N21 C26 -11.2(5) . . . . no
N28 Ru1 N21 C22 -12.6(4) . . . . no
N28 Ru1 N21 C26 171.4(5) . . . . no
Cl1 Ru1 N28 N27 -72.3(4) . . . . no
Cl1 Ru1 N28 C29 104.0(4) . . . . no
Cl2 Ru1 N28 N27 99.9(4) . . . . no
Cl2 Ru1 N28 C29 -83.7(4) . . . . no
N8 Ru1 N28 N27 -169.1(4) . . . . no
N8 Ru1 N28 C29 7.2(5) . . . . no
N21 Ru1 N28 N27 13.6(4) . . . . no
N21 Ru1 N28 C29 -170.1(5) . . . . no
Ru1 N1 C2 N7 11.8(6) . . . . no
Ru1 N1 C2 C3 -172.3(5) . . . . no
C6 N1 C2 N7 -170.5(6) . . . . no
C6 N1 C2 C3 5.4(9) . . . . no
Ru1 N1 C6 C5 172.2(6) . . . . no
C2 N1 C6 C5 -5.0(10) . . . . no
C2 N7 N8 Ru1 -10.4(7) . . . . no
C2 N7 N8 C9 171.9(5) . . . . no
N8 N7 C2 N1 -2.0(8) . . . . no
N8 N7 C2 C3 -178.0(6) . . . . no
Ru1 N8 C9 C10 -124.9(6) . . . . no
Ru1 N8 C9 C14 58.6(7) . . . . no
N7 N8 C9 C10 52.6(7) . . . . no
N7 N8 C9 C14 -123.9(6) . . . . no
Ru1 N21 C22 N27 11.4(7) . . . . no
Ru1 N21 C22 C23 -174.3(5) . . . . no
C26 N21 C22 N27 -172.0(5) . . . . no
C26 N21 C22 C23 2.3(9) . . . . no
Ru1 N21 C26 C25 173.1(5) . . . . no
C22 N21 C26 C25 -2.7(9) . . . . no
C22 N27 N28 Ru1 -11.5(7) . . . . no
C22 N27 N28 C29 171.5(5) . . . . no
N28 N27 C22 N21 -0.8(8) . . . . no
N28 N27 C22 C23 -175.4(6) . . . . no
Ru1 N28 C29 C30 55.6(7) . . . . no
Ru1 N28 C29 C34 -127.6(5) . . . . no
N27 N28 C29 C30 -127.9(6) . . . . no
N27 N28 C29 C34 49.0(7) . . . . no
N7 C2 C3 C4 171.8(7) . . . . no
N1 C2 C3 C4 -4.1(11) . . . . no
C2 C3 C4 C5 2.2(13) . . . . no
C3 C4 C5 C6 -1.7(14) . . . . no
C4 C5 C6 N1 3.1(13) . . . . no
N8 C9 C10 C11 -175.6(7) . . . . no
C14 C9 C10 C11 0.8(11) . . . . no
C10 C9 C14 C13 -1.5(10) . . . . no
N8 C9 C14 C13 175.0(6) . . . . no
C9 C10 C11 C12 1.0(12) . . . . no
C10 C11 C12 C13 -2.1(13) . . . . no
C11 C12 C13 C14 1.5(13) . . . . no
C12 C13 C14 C9 0.3(12) . . . . no
N27 C22 C23 C24 173.4(7) . . . . no
N21 C22 C23 C24 -0.9(11) . . . . no
C22 C23 C24 C25 -0.3(11) . . . . no
C23 C24 C25 C26 -0.1(11) . . . . no
C24 C25 C26 N21 1.6(10) . . . . no
N28 C29 C30 C31 174.6(6) . . . . no
C34 C29 C30 C31 -2.3(9) . . . . no
N28 C29 C34 C33 -176.4(6) . . . . no
C30 C29 C34 C33 0.4(10) . . . . no
C29 C30 C31 C32 2.2(10) . . . . no
C30 C31 C32 C33 -0.2(12) . . . . no
C31 C32 C33 C34 -1.8(11) . . . . no
C32 C33 C34 C29 1.7(10) . . . . no
