#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:45:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179490 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/87/4338735.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_4338735
loop_
_publ_author_name
'Mandal, Abhishek'
'Agarwala, Hemlata'
'Ray, Ritwika'
'Plebst, Sebastian'
'Mobin, Shaikh M.'
'Priego, José Luis'
'Jiménez-Aparicio, Reyes'
'Kaim, Wolfgang'
'Lahiri, Goutam Kumar'
_publ_section_title
;
 Sensitivity of the valence structure in diruthenium complexes as a
 function of terminal and bridging ligands.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6082
_journal_page_last               6093
_journal_paper_doi               10.1021/ic500452h
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C54 H40 Cl3 N10 O14 Ru2'
_chemical_formula_weight         1361.45
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 132.208(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.3268(9)
_cell_length_b                   19.3522(3)
_cell_length_c                   11.0599(5)
_cell_measurement_reflns_used    10902
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      72.1120
_cell_measurement_theta_min      4.0350
_cell_volume                     3064.0(4)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'OXFORD DIFFRACTION SUPER NOVA'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Micro-Focus (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            22757
_diffrn_reflns_theta_full        72.32
_diffrn_reflns_theta_max         72.32
_diffrn_reflns_theta_min         3.84
_exptl_absorpt_coefficient_mu    5.782
_exptl_absorpt_correction_T_max  0.5202
_exptl_absorpt_correction_T_min  0.3498
_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            BLACK
_exptl_crystal_density_diffrn    1.476
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1370
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_platon_squeeze_details
;
;
_refine_diff_density_max         2.236
_refine_diff_density_min         -0.665
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         6188
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0535
_refine_ls_R_factor_gt           0.0506
_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)+(0.0930P)²+4.3360P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1466
_reflns_number_gt                5665
_reflns_number_total             6188
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic500452h_si_004.cif
_cod_data_source_block           '[2](ClO4)3'
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338735--4338737.cif.
;
_cod_original_cell_volume        3064.0(2)
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4338735
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Ru1 Ru 0.712707(18) 0.037160(13) 0.96917(3) 0.03673(13) Uani 1 1 d .
O1 O 0.64995(19) 0.10948(13) 0.7914(3) 0.0425(6) Uani 1 1 d .
N1 N 0.7188(2) 0.10854(16) 1.1044(4) 0.0387(6) Uani 1 1 d .
N2 N 0.5914(2) -0.00171(17) 0.8992(4) 0.0411(7) Uani 1 1 d .
N3 N 0.7646(2) -0.03747(15) 1.1434(4) 0.0399(7) Uani 1 1 d .
N4 N 0.7152(2) -0.02822(16) 0.8235(4) 0.0434(7) Uani 1 1 d .
N5 N 0.8347(2) 0.06751(17) 1.0294(4) 0.0409(7) Uani 1 1 d .
C1 C 0.7074(2) 0.1758(2) 1.0850(4) 0.0390(7) Uani 1 1 d .
C2 C 0.7227(3) 0.2154(2) 1.2122(5) 0.0431(8) Uani 1 1 d .
H2 H 0.7330 0.1916 1.2983 0.052 Uiso 1 1 calc R
C3 C 0.6825(3) 0.21279(19) 0.9449(4) 0.0379(7) Uani 1 1 d .
C4 C 0.6522(3) 0.1759(2) 0.8047(5) 0.0422(8) Uani 1 1 d .
C5 C 0.6173(3) 0.2137(2) 0.6598(5) 0.0503(9) Uani 1 1 d .
C6 C 0.5861(4) 0.1780(3) 0.5203(6) 0.0705(14) Uani 1 1 d .
H6 H 0.5863 0.1289 0.5193 0.085 Uiso 1 1 calc R
C7 C 0.5550(6) 0.2146(3) 0.3846(7) 0.104(3) Uani 1 1 d .
H7 H 0.5333 0.1904 0.2899 0.125 Uiso 1 1 calc R
C8 C 0.5052(3) 0.0196(2) 0.7707(5) 0.0497(9) Uani 1 1 d .
H8 H 0.4978 0.0571 0.7073 0.060 Uiso 1 1 calc R
C9 C 0.4269(3) -0.0110(3) 0.7269(5) 0.0531(10) Uani 1 1 d .
H9 H 0.3664 0.0051 0.6345 0.064 Uiso 1 1 calc R
C10 C 0.4370(3) -0.0654(2) 0.8189(6) 0.0542(10) Uani 1 1 d .
H10 H 0.3836 -0.0875 0.7894 0.065 Uiso 1 1 calc R
C11 C 0.5250(3) -0.0871(2) 0.9533(5) 0.0487(9) Uani 1 1 d .
H11 H 0.5332 -0.1237 1.0191 0.058 Uiso 1 1 calc R
C12 C 0.6024(3) -0.0548(2) 0.9923(5) 0.0410(8) Uani 1 1 d .
C13 C 0.7001(3) -0.07361(19) 1.1324(5) 0.0432(8) Uani 1 1 d .
C14 C 0.7247(3) -0.1237(2) 1.2439(6) 0.0570(11) Uani 1 1 d .
H14 H 0.6781 -0.1485 1.2322 0.068 Uiso 1 1 calc R
C15 C 0.8187(4) -0.1371(3) 1.3736(7) 0.0674(13) Uani 1 1 d .
H15 H 0.8374 -0.1710 1.4527 0.081 Uiso 1 1 calc R
C16 C 0.8845(3) -0.1010(3) 1.3865(6) 0.0592(11) Uani 1 1 d .
H16 H 0.9492 -0.1096 1.4742 0.071 Uiso 1 1 calc R
C17 C 0.8551(3) -0.0516(2) 1.2695(5) 0.0498(9) Uani 1 1 d .
H17 H 0.9009 -0.0268 1.2791 0.060 Uiso 1 1 calc R
C18 C 0.6538(3) -0.0799(2) 0.7277(5) 0.0566(11) Uani 1 1 d .
H18 H 0.6065 -0.0899 0.7297 0.068 Uiso 1 1 calc R
C19 C 0.6578(4) -0.1180(3) 0.6284(6) 0.0680(13) Uani 1 1 d .
H19 H 0.6149 -0.1546 0.5644 0.082 Uiso 1 1 calc R
C20 C 0.7257(4) -0.1024(3) 0.6228(6) 0.0669(13) Uani 1 1 d .
H20 H 0.7291 -0.1275 0.5532 0.080 Uiso 1 1 calc R
C21 C 0.7878(4) -0.0501(3) 0.7193(6) 0.0593(11) Uani 1 1 d .
H21 H 0.8346 -0.0388 0.7166 0.071 Uiso 1 1 calc R
C22 C 0.7824(3) -0.0142(2) 0.8194(5) 0.0458(8) Uani 1 1 d .
C23 C 0.8483(3) 0.0409(2) 0.9328(5) 0.0474(9) Uani 1 1 d .
C24 C 0.9197(3) 0.0650(3) 0.9433(6) 0.0611(12) Uani 1 1 d .
H24 H 0.9287 0.0462 0.8755 0.073 Uiso 1 1 calc R
C25 C 0.9781(3) 0.1172(3) 1.0544(6) 0.0648(13) Uani 1 1 d .
H25 H 1.0265 0.1348 1.0613 0.078 Uiso 1 1 calc R
C26 C 0.9655(3) 0.1427(3) 1.1519(6) 0.0574(11) Uani 1 1 d .
H26 H 1.0055 0.1778 1.2292 0.069 Uiso 1 1 calc R
C27 C 0.8932(3) 0.1169(2) 1.1377(5) 0.0511(9) Uani 1 1 d .
H27 H 0.8849 0.1348 1.2071 0.061 Uiso 1 1 calc R
O101 O 0.9395(3) 0.0229(2) 0.6693(4) 0.0717(10) Uani 1 1 d .
O102 O 0.7856(2) 0.0440(2) 0.4279(5) 0.0713(10) Uani 1 1 d .
O103 O 0.9060(3) 0.0967(2) 0.4680(4) 0.0778(11) Uani 1 1 d .
O104 O 0.8676(5) 0.1284(3) 0.6214(7) 0.1162(19) Uani 1 1 d .
O105 O 0.4548(8) 0.2500 0.8929(10) 0.146(3) Uani 1 2 d S
O106 O 0.3282(3) 0.2500 0.6226(7) 0.0686(13) Uani 1 2 d S
O107 O 0.4609(4) 0.3121(4) 0.7392(9) 0.174(4) Uani 1 1 d .
Cl1 Cl 0.87604(8) 0.07300(6) 0.54932(13) 0.0584(3) Uani 1 1 d .
Cl2 Cl 0.42738(11) 0.2500 0.7361(2) 0.0560(4) Uani 1 2 d S
H1N H 0.734(3) 0.094(2) 1.192(5) 0.041(11) 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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 O1 86.79(12) . .
N1 Ru1 N3 92.20(13) . .
O1 Ru1 N3 174.67(12) . .
N1 Ru1 N2 90.77(13) . .
O1 Ru1 N2 95.73(12) . .
N3 Ru1 N2 79.04(13) . .
N1 Ru1 N5 94.75(13) . .
O1 Ru1 N5 85.73(12) . .
N3 Ru1 N5 99.57(13) . .
N2 Ru1 N5 174.37(12) . .
N1 Ru1 N4 172.44(13) . .
O1 Ru1 N4 88.78(12) . .
N3 Ru1 N4 92.77(13) . .
N2 Ru1 N4 95.77(13) . .
N5 Ru1 N4 78.80(13) . .
C4 O1 Ru1 128.7(2) . .
C1 N1 Ru1 130.5(3) . .
C1 N1 H1N 114(3) . .
Ru1 N1 H1N 116(3) . .
C8 N2 C12 119.1(3) . .
C8 N2 Ru1 125.4(3) . .
C12 N2 Ru1 115.5(2) . .
C17 N3 C13 117.6(3) . .
C17 N3 Ru1 126.4(3) . .
C13 N3 Ru1 115.9(3) . .
C18 N4 C22 118.4(4) . .
C18 N4 Ru1 126.2(3) . .
C22 N4 Ru1 115.2(3) . .
C27 N5 C23 118.5(3) . .
C27 N5 Ru1 125.9(3) . .
C23 N5 Ru1 114.9(3) . .
N1 C1 C2 117.7(3) . .
N1 C1 C3 123.9(3) . .
C2 C1 C3 118.4(3) . .
C2 C2 C1 122.0(2) 4_565 .
C2 C2 H2 119.0 4_565 .
C1 C2 H2 119.0 . .
C4 C3 C3 120.0(2) . 4_565
C4 C3 C1 120.5(3) . .
C3 C3 C1 119.3(2) 4_565 .
O1 C4 C3 125.4(3) . .
O1 C4 C5 114.9(3) . .
C3 C4 C5 119.7(4) . .
C6 C5 C5 119.5(3) . 4_565
C6 C5 C4 120.3(4) . .
C5 C5 C4 120.2(2) 4_565 .
C7 C6 C5 119.6(5) . .
C7 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
C7 C7 C6 120.9(3) 4_565 .
C7 C7 H7 119.5 4_565 .
C6 C7 H7 119.5 . .
N2 C8 C9 122.2(4) . .
N2 C8 H8 118.9 . .
C9 C8 H8 118.9 . .
C8 C9 C10 119.4(4) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
C11 C10 C9 119.2(4) . .
C11 C10 H10 120.4 . .
C9 C10 H10 120.4 . .
C10 C11 C12 119.4(4) . .
C10 C11 H11 120.3 . .
C12 C11 H11 120.3 . .
N2 C12 C11 120.7(4) . .
N2 C12 C13 114.8(3) . .
C11 C12 C13 124.5(4) . .
N3 C13 C14 122.5(4) . .
N3 C13 C12 114.7(3) . .
C14 C13 C12 122.9(4) . .
C13 C14 C15 118.8(4) . .
C13 C14 H14 120.6 . .
C15 C14 H14 120.6 . .
C16 C15 C14 119.4(4) . .
C16 C15 H15 120.3 . .
C14 C15 H15 120.3 . .
C15 C16 C17 118.9(4) . .
C15 C16 H16 120.5 . .
C17 C16 H16 120.5 . .
N3 C17 C16 122.8(4) . .
N3 C17 H17 118.6 . .
C16 C17 H17 118.6 . .
N4 C18 C19 122.2(5) . .
N4 C18 H18 118.9 . .
C19 C18 H18 118.9 . .
C18 C19 C20 118.9(5) . .
C18 C19 H19 120.6 . .
C20 C19 H19 120.6 . .
C21 C20 C19 119.0(5) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
C22 C21 C20 120.1(5) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
N4 C22 C21 121.3(4) . .
N4 C22 C23 114.5(4) . .
C21 C22 C23 124.2(4) . .
N5 C23 C24 120.8(4) . .
N5 C23 C22 115.3(4) . .
C24 C23 C22 123.9(4) . .
C23 C24 C25 119.4(5) . .
C23 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
C26 C25 C24 119.7(4) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C25 C26 C27 119.1(5) . .
C25 C26 H26 120.5 . .
C27 C26 H26 120.5 . .
N5 C27 C26 122.4(4) . .
N5 C27 H27 118.8 . .
C26 C27 H27 118.8 . .
O104 Cl1 O101 110.3(3) . .
O104 Cl1 O102 107.4(3) . .
O101 Cl1 O102 110.8(2) . .
O104 Cl1 O103 111.1(3) . .
O101 Cl1 O103 110.1(2) . .
O102 Cl1 O103 107.0(2) . .
O107 Cl2 O107 125.0(7) . 4_565
O107 Cl2 O106 111.1(3) . .
O107 Cl2 O106 111.1(3) 4_565 .
O107 Cl2 O105 100.8(5) . .
O107 Cl2 O105 100.8(5) 4_565 .
O106 Cl2 O105 104.6(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1 1.980(3) .
Ru1 O1 2.023(3) .
Ru1 N3 2.051(3) .
Ru1 N2 2.056(3) .
Ru1 N5 2.059(3) .
Ru1 N4 2.075(3) .
O1 C4 1.291(5) .
N1 C1 1.313(5) .
N1 H1N 0.85(4) .
N2 C8 1.335(5) .
N2 C12 1.366(5) .
N3 C17 1.342(5) .
N3 C13 1.361(5) .
N4 C18 1.357(5) .
N4 C22 1.357(5) .
N5 C27 1.344(5) .
N5 C23 1.362(5) .
C1 C2 1.448(5) .
C1 C3 1.464(5) .
C2 C2 1.338(8) 4_565
C2 H2 0.9500 .
C3 C4 1.427(5) .
C3 C3 1.440(7) 4_565
C4 C5 1.451(6) .
C5 C6 1.404(6) .
C5 C5 1.407(8) 4_565
C6 C7 1.380(7) .
C6 H6 0.9500 .
C7 C7 1.369(12) 4_565
C7 H7 0.9500 .
C8 C9 1.376(6) .
C8 H8 0.9500 .
C9 C10 1.384(7) .
C9 H9 0.9500 .
C10 C11 1.372(6) .
C10 H10 0.9500 .
C11 C12 1.394(5) .
C11 H11 0.9500 .
C12 C13 1.473(5) .
C13 C14 1.378(6) .
C14 C15 1.387(7) .
C14 H14 0.9500 .
C15 C16 1.371(7) .
C15 H15 0.9500 .
C16 C17 1.385(6) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.368(7) .
C18 H18 0.9500 .
C19 C20 1.387(8) .
C19 H19 0.9500 .
C20 C21 1.371(8) .
C20 H20 0.9500 .
C21 C22 1.369(6) .
C21 H21 0.9500 .
C22 C23 1.478(6) .
C23 C24 1.384(6) .
C24 C25 1.393(8) .
C24 H24 0.9500 .
C25 C26 1.348(7) .
C25 H25 0.9500 .
C26 C27 1.390(6) .
C26 H26 0.9500 .
C27 H27 0.9500 .
O101 Cl1 1.421(4) .
O102 Cl1 1.421(4) .
O103 Cl1 1.434(4) .
O104 Cl1 1.409(5) .
O105 Cl2 1.433(9) .
O106 Cl2 1.420(5) .
O107 Cl2 1.356(5) .
Cl2 O107 1.356(5) 4_565
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
N1 Ru1 O1 C4 21.2(3) . .
N3 Ru1 O1 C4 100.4(12) . .
N2 Ru1 O1 C4 111.7(3) . .
N5 Ru1 O1 C4 -73.8(3) . .
N4 Ru1 O1 C4 -152.6(3) . .
O1 Ru1 N1 C1 -15.0(3) . .
N3 Ru1 N1 C1 170.2(3) . .
N2 Ru1 N1 C1 -110.7(3) . .
N5 Ru1 N1 C1 70.4(3) . .
N4 Ru1 N1 C1 39.2(12) . .
N1 Ru1 N2 C8 88.6(3) . .
O1 Ru1 N2 C8 1.7(3) . .
N3 Ru1 N2 C8 -179.3(4) . .
N5 Ru1 N2 C8 -103.1(13) . .
N4 Ru1 N2 C8 -87.6(3) . .
N1 Ru1 N2 C12 -93.2(3) . .
O1 Ru1 N2 C12 180.0(3) . .
N3 Ru1 N2 C12 -1.1(3) . .
N5 Ru1 N2 C12 75.2(13) . .
N4 Ru1 N2 C12 90.6(3) . .
N1 Ru1 N3 C17 -87.1(4) . .
O1 Ru1 N3 C17 -166.0(11) . .
N2 Ru1 N3 C17 -177.5(4) . .
N5 Ru1 N3 C17 8.1(4) . .
N4 Ru1 N3 C17 87.2(3) . .
N1 Ru1 N3 C13 89.7(3) . .
O1 Ru1 N3 C13 10.8(13) . .
N2 Ru1 N3 C13 -0.6(3) . .
N5 Ru1 N3 C13 -175.1(3) . .
N4 Ru1 N3 C13 -96.0(3) . .
N1 Ru1 N4 C18 -153.0(9) . .
O1 Ru1 N4 C18 -98.9(4) . .
N3 Ru1 N4 C18 76.0(4) . .
N2 Ru1 N4 C18 -3.3(4) . .
N5 Ru1 N4 C18 175.2(4) . .
N1 Ru1 N4 C22 23.2(11) . .
O1 Ru1 N4 C22 77.3(3) . .
N3 Ru1 N4 C22 -107.8(3) . .
N2 Ru1 N4 C22 172.9(3) . .
N5 Ru1 N4 C22 -8.6(3) . .
N1 Ru1 N5 C27 4.6(3) . .
O1 Ru1 N5 C27 91.0(3) . .
N3 Ru1 N5 C27 -88.4(3) . .
N2 Ru1 N5 C27 -163.7(11) . .
N4 Ru1 N5 C27 -179.4(3) . .
N1 Ru1 N5 C23 -166.0(3) . .
O1 Ru1 N5 C23 -79.6(3) . .
N3 Ru1 N5 C23 101.0(3) . .
N2 Ru1 N5 C23 25.7(14) . .
N4 Ru1 N5 C23 10.0(3) . .
Ru1 N1 C1 C2 -175.8(3) . .
Ru1 N1 C1 C3 2.7(6) . .
N1 C1 C2 C2 172.7(2) . 4_565
C3 C1 C2 C2 -5.9(4) . 4_565
N1 C1 C3 C4 11.7(6) . .
C2 C1 C3 C4 -169.9(3) . .
N1 C1 C3 C3 -172.7(3) . 4_565
C2 C1 C3 C3 5.7(4) . 4_565
Ru1 O1 C4 C3 -15.2(6) . .
Ru1 O1 C4 C5 166.9(3) . .
C3 C3 C4 O1 179.4(3) 4_565 .
C1 C3 C4 O1 -5.1(6) . .
C3 C3 C4 C5 -2.9(4) 4_565 .
C1 C3 C4 C5 172.7(3) . .
O1 C4 C5 C6 -1.1(6) . .
C3 C4 C5 C6 -179.1(4) . .
O1 C4 C5 C5 -179.1(2) . 4_565
C3 C4 C5 C5 2.9(4) . 4_565
C5 C5 C6 C7 -0.6(8) 4_565 .
C4 C5 C6 C7 -178.6(6) . .
C5 C6 C7 C7 0.6(8) . 4_565
C12 N2 C8 C9 -1.1(6) . .
Ru1 N2 C8 C9 177.0(3) . .
N2 C8 C9 C10 0.3(7) . .
C8 C9 C10 C11 0.9(7) . .
C9 C10 C11 C12 -1.3(7) . .
C8 N2 C12 C11 0.7(6) . .
Ru1 N2 C12 C11 -177.7(3) . .
C8 N2 C12 C13 -179.2(4) . .
Ru1 N2 C12 C13 2.5(4) . .
C10 C11 C12 N2 0.5(6) . .
C10 C11 C12 C13 -179.6(4) . .
C17 N3 C13 C14 -0.6(6) . .
Ru1 N3 C13 C14 -177.8(3) . .
C17 N3 C13 C12 179.3(4) . .
Ru1 N3 C13 C12 2.1(4) . .
N2 C12 C13 N3 -3.0(5) . .
C11 C12 C13 N3 177.1(4) . .
N2 C12 C13 C14 176.9(4) . .
C11 C12 C13 C14 -3.0(6) . .
N3 C13 C14 C15 0.9(7) . .
C12 C13 C14 C15 -179.0(5) . .
C13 C14 C15 C16 -0.7(8) . .
C14 C15 C16 C17 0.3(8) . .
C13 N3 C17 C16 0.2(6) . .
Ru1 N3 C17 C16 177.0(4) . .
C15 C16 C17 N3 0.0(8) . .
C22 N4 C18 C19 0.2(7) . .
Ru1 N4 C18 C19 176.3(4) . .
N4 C18 C19 C20 -1.4(8) . .
C18 C19 C20 C21 1.3(8) . .
C19 C20 C21 C22 0.1(8) . .
C18 N4 C22 C21 1.2(6) . .
Ru1 N4 C22 C21 -175.3(3) . .
C18 N4 C22 C23 -177.6(4) . .
Ru1 N4 C22 C23 5.9(4) . .
C20 C21 C22 N4 -1.4(7) . .
C20 C21 C22 C23 177.4(4) . .
C27 N5 C23 C24 -1.3(6) . .
Ru1 N5 C23 C24 170.0(3) . .
C27 N5 C23 C22 178.7(3) . .
Ru1 N5 C23 C22 -10.0(4) . .
N4 C22 C23 N5 2.7(5) . .
C21 C22 C23 N5 -176.1(4) . .
N4 C22 C23 C24 -177.3(4) . .
C21 C22 C23 C24 3.9(7) . .
N5 C23 C24 C25 0.0(7) . .
C22 C23 C24 C25 180.0(4) . .
C23 C24 C25 C26 1.2(8) . .
C24 C25 C26 C27 -1.0(7) . .
C23 N5 C27 C26 1.5(6) . .
Ru1 N5 C27 C26 -168.8(3) . .
C25 C26 C27 N5 -0.4(7) . .
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 0.077 0.250 -0.121 267 41 ' '
2 0.923 0.750 0.121 267 41 ' '
