#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:31:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179923 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/18/7021889.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_7021889
loop_
_publ_author_name
'Tripathy, Suman Kumar'
'Surada, Raj Kiran'
'Manne, Rajesh K.'
'Mobin, Shaikh M.'
'Santra, Manas Kumar'
'Patra, Srikanta'
_publ_section_title
;
 Synthesis, characterisation and biological activities of
 [(p-cym)RuX(pz4lut)](n+) and [{(p-cym)RuX}2(μ-pz4lut)](n+) (X = Cl, H2O
 and pz4lut = α,α,α',α'-tetra(pyrazol-1-yl)-2,6-lutidine).
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14081
_journal_page_last               14091
_journal_paper_doi               10.1039/c3dt51275d
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C47 H59 Cl4 N9 O2 Ru2'
_chemical_formula_weight         1125.97
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                90.000(5)
_cell_angle_beta                 109.217(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   23.089(5)
_cell_length_b                   13.631(5)
_cell_length_c                   19.256(5)
_cell_measurement_reflns_used    6413
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.4788
_cell_measurement_theta_min      3.0777
_cell_volume                     5723(3)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'OXFORD DIFFRACTION SUPER NOVA'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Micro-Focus (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0679
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19909
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.08
_exptl_absorpt_coefficient_mu    0.756
_exptl_absorpt_correction_T_max  0.8574
_exptl_absorpt_correction_T_min  0.7886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.307
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.21
_platon_squeeze_details
;
;
_refine_diff_density_max         0.991
_refine_diff_density_min         -1.004
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         5020
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0679
_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)+(0.1234P)²+8.2581P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1897
_refine_ls_wR_factor_ref         0.2038
_reflns_number_gt                3924
_reflns_number_total             5020
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51275d.txt
_cod_data_source_block           iitbbs001
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7021889
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'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 0.655117(19) 0.33513(3) 0.14522(2) 0.0442(2) Uani 1 1 d . . .
Cl1 Cl 0.66761(7) 0.41993(12) 0.04070(8) 0.0601(4) Uani 1 1 d . . .
N1 N 0.5695(2) 0.2953(3) 0.0694(2) 0.0433(10) Uani 1 1 d . . .
N2 N 0.5142(2) 0.3337(3) 0.0681(2) 0.0380(10) Uani 1 1 d . . .
N3 N 0.54849(19) 0.4722(3) 0.1474(2) 0.0419(10) Uani 1 1 d . . .
N4 N 0.60936(19) 0.4650(3) 0.1586(2) 0.0441(10) Uani 1 1 d . . .
N5 N 0.5000 0.3773(4) 0.2500 0.0367(12) Uani 1 2 d S . .
C1 C 0.6051(3) 0.1883(5) -0.0150(4) 0.0658(17) Uani 1 1 d . . .
H1A H 0.6432 0.2263 0.0024 0.099 Uiso 1 1 calc R . .
H1B H 0.5913 0.1842 -0.0688 0.099 Uiso 1 1 calc R . .
H1C H 0.6124 0.1221 0.0059 0.099 Uiso 1 1 calc R . .
C2 C 0.5569(3) 0.2375(4) 0.0086(3) 0.0497(13) Uani 1 1 d . . .
C3 C 0.4937(3) 0.2372(4) -0.0278(3) 0.0512(13) Uani 1 1 d . . .
H3 H 0.4726 0.2021 -0.0714 0.061 Uiso 1 1 calc R . .
C4 C 0.4677(3) 0.2962(4) 0.0106(3) 0.0467(13) Uani 1 1 d . . .
C5 C 0.4016(3) 0.3221(5) -0.0023(4) 0.0616(17) Uani 1 1 d . . .
H5A H 0.3756 0.2910 -0.0478 0.092 Uiso 1 1 calc R . .
H5B H 0.3965 0.3935 -0.0066 0.092 Uiso 1 1 calc R . .
H5C H 0.3895 0.2987 0.0391 0.092 Uiso 1 1 calc R . .
C6 C 0.4681(3) 0.5958(5) 0.1494(3) 0.0557(14) Uani 1 1 d . . .
H6A H 0.4424 0.5871 0.0980 0.084 Uiso 1 1 calc R . .
H6B H 0.4677 0.6649 0.1633 0.084 Uiso 1 1 calc R . .
H6C H 0.4520 0.5553 0.1810 0.084 Uiso 1 1 calc R . .
C7 C 0.5323(3) 0.5652(4) 0.1587(3) 0.0471(13) Uani 1 1 d . . .
C8 C 0.5858(3) 0.6187(4) 0.1785(3) 0.0547(14) Uani 1 1 d . . .
H8 H 0.5904 0.6862 0.1913 0.066 Uiso 1 1 calc R . .
C9 C 0.6324(3) 0.5541(4) 0.1763(3) 0.0517(13) Uani 1 1 d . . .
C10 C 0.6982(3) 0.5803(6) 0.1897(4) 0.074(2) Uani 1 1 d . . .
H10A H 0.7234 0.5549 0.2378 0.111 Uiso 1 1 calc R . .
H10B H 0.7023 0.6518 0.1891 0.111 Uiso 1 1 calc R . .
H10C H 0.7118 0.5514 0.1512 0.111 Uiso 1 1 calc R . .
C11 C 0.5064(2) 0.3886(4) 0.1278(3) 0.0406(11) Uani 1 1 d . . .
C12 C 0.5065(2) 0.3253(4) 0.1936(3) 0.0378(11) Uani 1 1 d . . .
C13 C 0.5061(2) 0.2251(4) 0.1902(3) 0.0450(12) Uani 1 1 d . . .
H13 H 0.5100 0.1919 0.1485 0.054 Uiso 1 1 calc R . .
C14 C 0.5000 0.1729(5) 0.2500 0.0480(19) Uani 1 2 d S . .
H14 H 0.5000 0.1032 0.2500 0.058 Uiso 1 2 calc SR . .
C15 C 0.6852(3) 0.2942(5) 0.2652(3) 0.0551(15) Uani 1 1 d . . .
C16 C 0.7319(3) 0.3482(6) 0.2506(3) 0.0628(17) Uani 1 1 d . . .
H16 H 0.7480 0.4048 0.2793 0.075 Uiso 1 1 calc R . .
C17 C 0.7550(3) 0.3207(6) 0.1952(4) 0.0654(19) Uani 1 1 d . . .
H17 H 0.7853 0.3601 0.1853 0.078 Uiso 1 1 calc R . .
C18 C 0.7335(3) 0.2334(6) 0.1529(3) 0.0652(17) Uani 1 1 d . . .
C19 C 0.6864(4) 0.1809(5) 0.1656(4) 0.0647(18) Uani 1 1 d . . .
H19 H 0.6706 0.1241 0.1370 0.078 Uiso 1 1 calc R . .
C20 C 0.6614(3) 0.2105(5) 0.2205(3) 0.0556(15) Uani 1 1 d . . .
H20 H 0.6286 0.1743 0.2274 0.067 Uiso 1 1 calc R . .
C21 C 0.7630(4) 0.2028(8) 0.0964(4) 0.097(3) Uani 1 1 d . . .
H21A H 0.8069 0.1913 0.1210 0.146 Uiso 1 1 calc R . .
H21B H 0.7575 0.2550 0.0598 0.146 Uiso 1 1 calc R . .
H21C H 0.7437 0.1424 0.0719 0.146 Uiso 1 1 calc R . .
C22 C 0.6651(3) 0.3162(5) 0.3308(3) 0.0585(16) Uani 1 1 d . . .
H22 H 0.6233 0.2878 0.3219 0.070 Uiso 1 1 calc R . .
C23 C 0.6639(4) 0.4230(7) 0.3483(4) 0.084(2) Uani 1 1 d . . .
H23A H 0.7058 0.4491 0.3638 0.127 Uiso 1 1 calc R . .
H23B H 0.6466 0.4315 0.3880 0.127 Uiso 1 1 calc R . .
H23C H 0.6386 0.4582 0.3045 0.127 Uiso 1 1 calc R . .
C24 C 0.7116(4) 0.2623(7) 0.3967(4) 0.089(3) Uani 1 1 d . . .
H24A H 0.7534 0.2820 0.4008 0.134 Uiso 1 1 calc R . .
H24B H 0.7072 0.1913 0.3890 0.134 Uiso 1 1 calc R . .
H24C H 0.7036 0.2796 0.4421 0.134 Uiso 1 1 calc R . .
Cl11 Cl 0.6448(3) -0.0627(5) 0.1108(5) 0.316(5) Uani 1 1 d . . .
O111 O 0.5086(10) 0.0132(9) 0.0991(9) 0.190(10) Uani 0.565(17) 1 d P A 1
O222 O 0.3922(8) 0.0863(11) 0.0360(11) 0.125(8) Uani 0.435(17) 1 d P A 2
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'
Cl Cl 0.1484 0.1585 '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
N1 Ru1 N4 84.71(17) . .
N1 Ru1 C17 153.1(2) . .
N4 Ru1 C17 121.0(2) . .
N1 Ru1 C20 95.8(2) . .
N4 Ru1 C20 119.4(2) . .
C17 Ru1 C20 79.1(2) . .
N1 Ru1 C19 93.2(2) . .
N4 Ru1 C19 156.5(2) . .
C17 Ru1 C19 66.6(3) . .
C20 Ru1 C19 37.4(2) . .
N1 Ru1 C16 160.0(2) . .
N4 Ru1 C16 95.9(2) . .
C17 Ru1 C16 36.8(3) . .
C20 Ru1 C16 66.5(2) . .
C19 Ru1 C16 78.4(3) . .
N1 Ru1 C18 116.0(2) . .
N4 Ru1 C18 158.5(2) . .
C17 Ru1 C18 37.7(3) . .
C20 Ru1 C18 66.7(2) . .
C19 Ru1 C18 36.3(3) . .
C16 Ru1 C18 66.8(3) . .
N1 Ru1 C15 123.3(2) . .
N4 Ru1 C15 94.6(2) . .
C17 Ru1 C15 66.7(2) . .
C20 Ru1 C15 37.3(2) . .
C19 Ru1 C15 67.1(2) . .
C16 Ru1 C15 36.7(2) . .
C18 Ru1 C15 79.1(2) . .
N1 Ru1 Cl1 83.56(13) . .
N4 Ru1 Cl1 84.40(12) . .
C17 Ru1 Cl1 90.68(18) . .
C20 Ru1 Cl1 156.10(17) . .
C19 Ru1 Cl1 118.67(19) . .
C16 Ru1 Cl1 116.38(19) . .
C18 Ru1 Cl1 92.02(18) . .
C15 Ru1 Cl1 152.96(17) . .
C2 N1 N2 105.7(4) . .
C2 N1 Ru1 129.2(4) . .
N2 N1 Ru1 124.8(3) . .
C4 N2 N1 110.6(4) . .
C4 N2 C11 125.1(5) . .
N1 N2 C11 123.1(4) . .
N4 N3 C7 111.6(4) . .
N4 N3 C11 123.5(4) . .
C7 N3 C11 124.9(4) . .
C9 N4 N3 106.4(4) . .
C9 N4 Ru1 128.5(4) . .
N3 N4 Ru1 125.0(3) . .
C12 N5 C12 116.5(6) 2_655 .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
N1 C2 C3 109.0(5) . .
N1 C2 C1 123.6(6) . .
C3 C2 C1 127.4(5) . .
C4 C3 C2 107.6(5) . .
C4 C3 H3 126.2 . .
C2 C3 H3 126.2 . .
C3 C4 N2 107.0(5) . .
C3 C4 C5 130.9(5) . .
N2 C4 C5 122.0(5) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
C4 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 H6A 109.5 . .
C7 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C7 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N3 C7 C8 105.6(5) . .
N3 C7 C6 123.8(5) . .
C8 C7 C6 130.7(5) . .
C7 C8 C9 106.7(5) . .
C7 C8 H8 126.6 . .
C9 C8 H8 126.6 . .
N4 C9 C8 109.7(5) . .
N4 C9 C10 124.2(6) . .
C8 C9 C10 126.1(6) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N2 C11 N3 111.4(4) . .
N2 C11 C12 113.8(4) . .
N3 C11 C12 114.0(4) . .
N5 C12 C13 124.3(5) . .
N5 C12 C11 113.6(4) . .
C13 C12 C11 121.7(4) . .
C12 C13 C14 118.0(5) . .
C12 C13 H13 121.0 . .
C14 C13 H13 121.0 . .
C13 C14 C13 118.9(7) . 2_655
C13 C14 H14 120.5 . .
C13 C14 H14 120.5 2_655 .
C16 C15 C20 117.7(6) . .
C16 C15 C22 121.9(6) . .
C20 C15 C22 120.0(6) . .
C16 C15 Ru1 70.3(3) . .
C20 C15 Ru1 69.6(3) . .
C22 C15 Ru1 137.0(4) . .
C17 C16 C15 121.6(7) . .
C17 C16 Ru1 70.7(4) . .
C15 C16 Ru1 73.0(3) . .
C17 C16 H16 119.2 . .
C15 C16 H16 119.2 . .
Ru1 C16 H16 129.7 . .
C16 C17 C18 120.7(6) . .
C16 C17 Ru1 72.5(4) . .
C18 C17 Ru1 73.1(4) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
Ru1 C17 H17 126.7 . .
C19 C18 C17 118.0(6) . .
C19 C18 C21 123.2(8) . .
C17 C18 C21 118.8(7) . .
C19 C18 Ru1 70.6(4) . .
C17 C18 Ru1 69.2(4) . .
C21 C18 Ru1 131.6(5) . .
C18 C19 C20 121.3(7) . .
C18 C19 Ru1 73.1(4) . .
C20 C19 Ru1 70.9(4) . .
C18 C19 H19 119.4 . .
C20 C19 H19 119.4 . .
Ru1 C19 H19 129.0 . .
C19 C20 C15 120.5(6) . .
C19 C20 Ru1 71.6(4) . .
C15 C20 Ru1 73.1(4) . .
C19 C20 H20 119.8 . .
C15 C20 H20 119.8 . .
Ru1 C20 H20 127.6 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 C15 114.5(6) . .
C23 C22 C24 109.6(6) . .
C15 C22 C24 105.7(5) . .
C23 C22 H22 109.0 . .
C15 C22 H22 109.0 . .
C24 C22 H22 109.0 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1 2.105(4) .
Ru1 N4 2.120(5) .
Ru1 C17 2.196(6) .
Ru1 C20 2.207(6) .
Ru1 C19 2.216(6) .
Ru1 C16 2.219(6) .
Ru1 C18 2.247(6) .
Ru1 C15 2.254(5) .
Ru1 Cl1 2.4191(15) .
N1 C2 1.360(7) .
N1 N2 1.374(6) .
N2 C4 1.363(7) .
N2 C11 1.433(6) .
N3 N4 1.353(6) .
N3 C7 1.360(7) .
N3 C11 1.464(7) .
N4 C9 1.324(7) .
N5 C12 1.347(6) 2_655
N5 C12 1.347(6) .
C1 C2 1.493(8) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C3 1.397(8) .
C3 C4 1.357(8) .
C3 H3 0.9500 .
C4 C5 1.506(8) .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.492(8) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.377(8) .
C8 C9 1.400(9) .
C8 H8 0.9500 .
C9 C10 1.498(9) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 C12 1.531(7) .
C12 C13 1.368(7) .
C13 C14 1.400(7) .
C13 H13 0.9500 .
C14 C13 1.400(7) 2_655
C14 H14 0.9500 .
C15 C16 1.409(9) .
C15 C20 1.426(9) .
C15 C22 1.510(8) .
C16 C17 1.392(10) .
C16 H16 0.9500 .
C17 C18 1.436(11) .
C17 H17 0.9500 .
C18 C19 1.391(11) .
C18 C21 1.518(9) .
C19 C20 1.419(9) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.497(11) .
C22 C24 1.552(9) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
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
N4 Ru1 N1 C2 150.6(5) . .
C17 Ru1 N1 C2 -13.1(8) . .
C20 Ru1 N1 C2 -90.3(5) . .
C19 Ru1 N1 C2 -52.9(5) . .
C16 Ru1 N1 C2 -116.8(8) . .
C18 Ru1 N1 C2 -23.5(5) . .
C15 Ru1 N1 C2 -117.4(5) . .
Cl1 Ru1 N1 C2 65.6(5) . .
N4 Ru1 N1 N2 -21.5(4) . .
C17 Ru1 N1 N2 174.8(5) . .
C20 Ru1 N1 N2 97.6(4) . .
C19 Ru1 N1 N2 135.0(4) . .
C16 Ru1 N1 N2 71.1(8) . .
C18 Ru1 N1 N2 164.4(4) . .
C15 Ru1 N1 N2 70.5(5) . .
Cl1 Ru1 N1 N2 -106.5(4) . .
C2 N1 N2 C4 3.7(6) . .
Ru1 N1 N2 C4 177.4(4) . .
C2 N1 N2 C11 171.6(5) . .
Ru1 N1 N2 C11 -14.7(6) . .
C7 N3 N4 C9 -0.7(5) . .
C11 N3 N4 C9 -179.0(4) . .
C7 N3 N4 Ru1 -178.6(3) . .
C11 N3 N4 Ru1 3.2(6) . .
N1 Ru1 N4 C9 -150.5(5) . .
C17 Ru1 N4 C9 21.0(5) . .
C20 Ru1 N4 C9 115.8(5) . .
C19 Ru1 N4 C9 123.8(7) . .
C16 Ru1 N4 C9 49.6(5) . .
C18 Ru1 N4 C9 14.8(8) . .
C15 Ru1 N4 C9 86.4(5) . .
Cl1 Ru1 N4 C9 -66.5(4) . .
N1 Ru1 N4 N3 26.9(4) . .
C17 Ru1 N4 N3 -161.7(4) . .
C20 Ru1 N4 N3 -66.8(4) . .
C19 Ru1 N4 N3 -58.8(7) . .
C16 Ru1 N4 N3 -133.1(4) . .
C18 Ru1 N4 N3 -167.9(5) . .
C15 Ru1 N4 N3 -96.2(4) . .
Cl1 Ru1 N4 N3 110.9(4) . .
N2 N1 C2 C3 -2.7(6) . .
Ru1 N1 C2 C3 -176.0(4) . .
N2 N1 C2 C1 174.4(5) . .
Ru1 N1 C2 C1 1.1(9) . .
N1 C2 C3 C4 0.8(7) . .
C1 C2 C3 C4 -176.2(6) . .
C2 C3 C4 N2 1.5(7) . .
C2 C3 C4 C5 -179.1(6) . .
N1 N2 C4 C3 -3.3(6) . .
C11 N2 C4 C3 -170.9(5) . .
N1 N2 C4 C5 177.3(5) . .
C11 N2 C4 C5 9.7(8) . .
N4 N3 C7 C8 -0.5(6) . .
C11 N3 C7 C8 177.7(5) . .
N4 N3 C7 C6 179.1(5) . .
C11 N3 C7 C6 -2.7(8) . .
N3 C7 C8 C9 1.5(6) . .
C6 C7 C8 C9 -178.1(6) . .
N3 N4 C9 C8 1.7(6) . .
Ru1 N4 C9 C8 179.5(4) . .
N3 N4 C9 C10 -176.9(5) . .
Ru1 N4 C9 C10 0.9(8) . .
C7 C8 C9 N4 -2.1(6) . .
C7 C8 C9 C10 176.5(6) . .
C4 N2 C11 N3 -138.4(5) . .
N1 N2 C11 N3 55.5(6) . .
C4 N2 C11 C12 91.1(6) . .
N1 N2 C11 C12 -75.0(6) . .
N4 N3 C11 N2 -49.1(6) . .
C7 N3 C11 N2 133.0(5) . .
N4 N3 C11 C12 81.3(6) . .
C7 N3 C11 C12 -96.6(6) . .
C12 N5 C12 C13 0.8(4) 2_655 .
C12 N5 C12 C11 173.5(5) 2_655 .
N2 C11 C12 N5 179.2(4) . .
N3 C11 C12 N5 50.0(6) . .
N2 C11 C12 C13 -7.9(7) . .
N3 C11 C12 C13 -137.1(5) . .
N5 C12 C13 C14 -1.5(7) . .
C11 C12 C13 C14 -173.7(4) . .
C12 C13 C14 C13 0.7(3) . 2_655
N1 Ru1 C15 C16 179.7(4) . .
N4 Ru1 C15 C16 -93.6(4) . .
C17 Ru1 C15 C16 28.2(4) . .
C20 Ru1 C15 C16 131.3(6) . .
C19 Ru1 C15 C16 101.6(5) . .
C18 Ru1 C15 C16 65.6(4) . .
Cl1 Ru1 C15 C16 -6.9(7) . .
N1 Ru1 C15 C20 48.3(4) . .
N4 Ru1 C15 C20 135.0(3) . .
C17 Ru1 C15 C20 -103.1(4) . .
C19 Ru1 C15 C20 -29.8(4) . .
C16 Ru1 C15 C20 -131.3(6) . .
C18 Ru1 C15 C20 -65.7(4) . .
Cl1 Ru1 C15 C20 -138.3(4) . .
N1 Ru1 C15 C22 -64.2(8) . .
N4 Ru1 C15 C22 22.5(7) . .
C17 Ru1 C15 C22 144.3(8) . .
C20 Ru1 C15 C22 -112.6(8) . .
C19 Ru1 C15 C22 -142.3(8) . .
C16 Ru1 C15 C22 116.1(9) . .
C18 Ru1 C15 C22 -178.3(8) . .
Cl1 Ru1 C15 C22 109.2(7) . .
C20 C15 C16 C17 -0.9(9) . .
C22 C15 C16 C17 172.6(6) . .
Ru1 C15 C16 C17 -53.6(5) . .
C20 C15 C16 Ru1 52.6(5) . .
C22 C15 C16 Ru1 -133.9(6) . .
N1 Ru1 C16 C17 132.7(6) . .
N4 Ru1 C16 C17 -136.7(4) . .
C20 Ru1 C16 C17 103.7(5) . .
C19 Ru1 C16 C17 66.3(5) . .
C18 Ru1 C16 C17 30.2(4) . .
C15 Ru1 C16 C17 133.5(7) . .
Cl1 Ru1 C16 C17 -50.1(5) . .
N1 Ru1 C16 C15 -0.8(9) . .
N4 Ru1 C16 C15 89.8(4) . .
C17 Ru1 C16 C15 -133.5(7) . .
C20 Ru1 C16 C15 -29.7(4) . .
C19 Ru1 C16 C15 -67.1(4) . .
C18 Ru1 C16 C15 -103.3(5) . .
Cl1 Ru1 C16 C15 176.5(3) . .
C15 C16 C17 C18 -2.6(10) . .
Ru1 C16 C17 C18 -57.2(5) . .
C15 C16 C17 Ru1 54.6(5) . .
N1 Ru1 C17 C16 -146.4(5) . .
N4 Ru1 C17 C16 52.7(5) . .
C20 Ru1 C17 C16 -65.1(4) . .
C19 Ru1 C17 C16 -102.2(5) . .
C18 Ru1 C17 C16 -131.0(6) . .
C15 Ru1 C17 C16 -28.2(4) . .
Cl1 Ru1 C17 C16 136.6(4) . .
N1 Ru1 C17 C18 -15.4(7) . .
N4 Ru1 C17 C18 -176.3(3) . .
C20 Ru1 C17 C18 65.8(4) . .
C19 Ru1 C17 C18 28.7(4) . .
C16 Ru1 C17 C18 131.0(6) . .
C15 Ru1 C17 C18 102.8(4) . .
Cl1 Ru1 C17 C18 -92.4(4) . .
C16 C17 C18 C19 4.1(9) . .
Ru1 C17 C18 C19 -52.8(5) . .
C16 C17 C18 C21 -176.1(6) . .
Ru1 C17 C18 C21 127.0(6) . .
C16 C17 C18 Ru1 56.9(5) . .
N1 Ru1 C18 C19 -55.9(4) . .
N4 Ru1 C18 C19 140.5(5) . .
C17 Ru1 C18 C19 131.8(6) . .
C20 Ru1 C18 C19 29.1(4) . .
C16 Ru1 C18 C19 102.3(4) . .
C15 Ru1 C18 C19 66.0(4) . .
Cl1 Ru1 C18 C19 -139.7(4) . .
N1 Ru1 C18 C17 172.3(4) . .
N4 Ru1 C18 C17 8.7(8) . .
C20 Ru1 C18 C17 -102.7(4) . .
C19 Ru1 C18 C17 -131.8(6) . .
C16 Ru1 C18 C17 -29.4(4) . .
C15 Ru1 C18 C17 -65.8(4) . .
Cl1 Ru1 C18 C17 88.5(4) . .
N1 Ru1 C18 C21 61.7(9) . .
N4 Ru1 C18 C21 -101.9(9) . .
C17 Ru1 C18 C21 -110.6(10) . .
C20 Ru1 C18 C21 146.6(9) . .
C19 Ru1 C18 C21 117.6(10) . .
C16 Ru1 C18 C21 -140.1(9) . .
C15 Ru1 C18 C21 -176.4(9) . .
Cl1 Ru1 C18 C21 -22.1(9) . .
C17 C18 C19 C20 -2.1(9) . .
C21 C18 C19 C20 178.1(6) . .
Ru1 C18 C19 C20 -54.2(5) . .
C17 C18 C19 Ru1 52.2(5) . .
C21 C18 C19 Ru1 -127.7(6) . .
N1 Ru1 C19 C18 131.8(4) . .
N4 Ru1 C19 C18 -144.2(5) . .
C17 Ru1 C19 C18 -29.8(4) . .
C20 Ru1 C19 C18 -132.8(6) . .
C16 Ru1 C19 C18 -66.4(4) . .
C15 Ru1 C19 C18 -103.1(4) . .
Cl1 Ru1 C19 C18 47.4(4) . .
N1 Ru1 C19 C20 -95.4(4) . .
N4 Ru1 C19 C20 -11.4(8) . .
C17 Ru1 C19 C20 103.0(4) . .
C16 Ru1 C19 C20 66.4(4) . .
C18 Ru1 C19 C20 132.8(6) . .
C15 Ru1 C19 C20 29.6(4) . .
Cl1 Ru1 C19 C20 -179.8(3) . .
C18 C19 C20 C15 -1.4(9) . .
Ru1 C19 C20 C15 -56.6(5) . .
C18 C19 C20 Ru1 55.2(5) . .
C16 C15 C20 C19 2.9(8) . .
C22 C15 C20 C19 -170.7(5) . .
Ru1 C15 C20 C19 55.9(5) . .
C16 C15 C20 Ru1 -53.0(5) . .
C22 C15 C20 Ru1 133.4(5) . .
N1 Ru1 C20 C19 87.6(4) . .
N4 Ru1 C20 C19 174.8(4) . .
C17 Ru1 C20 C19 -65.6(5) . .
C16 Ru1 C20 C19 -101.9(5) . .
C18 Ru1 C20 C19 -28.2(4) . .
C15 Ru1 C20 C19 -131.2(6) . .
Cl1 Ru1 C20 C19 0.5(7) . .
N1 Ru1 C20 C15 -141.1(3) . .
N4 Ru1 C20 C15 -54.0(4) . .
C17 Ru1 C20 C15 65.6(4) . .
C19 Ru1 C20 C15 131.2(6) . .
C16 Ru1 C20 C15 29.3(3) . .
C18 Ru1 C20 C15 103.0(4) . .
Cl1 Ru1 C20 C15 131.7(4) . .
C16 C15 C22 C23 37.8(8) . .
C20 C15 C22 C23 -148.9(6) . .
Ru1 C15 C22 C23 -57.2(9) . .
C16 C15 C22 C24 -82.9(8) . .
C20 C15 C22 C24 90.5(7) . .
Ru1 C15 C22 C24 -177.9(6) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 -0.050 0.250 208 40 ' '
2 0.500 0.050 0.750 208 40 ' '
3 1.000 0.450 0.250 208 40 ' '
4 1.000 0.550 0.750 208 40 ' '
