#------------------------------------------------------------------------------
#$Date: 2019-11-23 15:14:41 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233788 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/59/7235959.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_7235959
loop_
_publ_author_name
'Ru, Jing'
'Zong, Tian-Xiang'
'Ge, Jing-Yuan'
'Yao, Min-Xia'
'Zuo, Jing-Lin'
_publ_section_title
;
 The new dicyanoruthenium(iii) building block with
 2′-hydroxyacetophenone imine for heterobimetallic complexes
;
_journal_issue                   113
_journal_name_full               'RSC Advances'
_journal_page_first              93470
_journal_paper_doi               10.1039/C5RA15752H
_journal_volume                  5
_journal_year                    2015
_chemical_formula_sum            'C68 H60 Mn2 N12 O8 Ru2'
_chemical_formula_weight         1485.30
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-07-21 deposited with the CCDC.
2015-11-04 downloaded from the CCDC.
;
_cell_angle_alpha                100.154(3)
_cell_angle_beta                 103.996(3)
_cell_angle_gamma                94.967(3)
_cell_formula_units_Z            2
_cell_length_a                   12.573(2)
_cell_length_b                   15.090(3)
_cell_length_c                   21.612(4)
_cell_measurement_reflns_used    5143
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.44
_cell_measurement_theta_min      2.22
_cell_volume                     3880.3(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0582
_diffrn_reflns_av_sigmaI/netI    0.0894
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            28699
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         0.99
_exptl_absorpt_coefficient_mu    0.754
_exptl_absorpt_correction_T_max  0.8700
_exptl_absorpt_correction_T_min  0.8109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1508
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_platon_squeeze_details
;
;
_refine_diff_density_max         1.576
_refine_diff_density_min         -0.610
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.919
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     836
_refine_ls_number_reflns         13506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.919
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0557
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0915P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1452
_refine_ls_wR_factor_ref         0.1586
_reflns_number_gt                8844
_reflns_number_total             13506
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra15752h2.cif
_cod_data_source_block           20131216c
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        3880.5(11)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               7235959
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
C1 C 1.2247(4) 1.0064(4) 0.9863(2) 0.0532(14) Uani 1 1 d .
C2 C 1.3066(4) 0.9515(4) 0.9738(3) 0.0614(16) Uani 1 1 d .
H2 H 1.3103 0.8965 0.9874 0.074 Uiso 1 1 calc R
C3 C 1.3805(5) 0.9807(6) 0.9412(3) 0.082(2) Uani 1 1 d .
H3 H 1.4326 0.9442 0.9316 0.098 Uiso 1 1 calc R
C4 C 1.3774(6) 1.0636(6) 0.9230(3) 0.080(2) Uani 1 1 d .
H4 H 1.4260 1.0819 0.8999 0.096 Uiso 1 1 calc R
C5 C 1.3054(5) 1.1179(5) 0.9382(3) 0.0656(17) Uani 1 1 d .
H5 H 1.3072 1.1744 0.9266 0.079 Uiso 1 1 calc R
C6 C 1.2261(4) 1.0932(4) 0.9712(2) 0.0493(13) Uani 1 1 d .
C7 C 1.1542(5) 1.1572(4) 0.9895(2) 0.0533(14) Uani 1 1 d .
C8 C 1.1848(5) 1.2569(4) 0.9950(3) 0.0700(17) Uani 1 1 d .
H8A H 1.1216 1.2875 0.9972 0.105 Uiso 1 1 calc R
H8B H 1.2088 1.2668 0.9575 0.105 Uiso 1 1 calc R
H8C H 1.2435 1.2804 1.0337 0.105 Uiso 1 1 calc R
C9 C 0.9852(4) 0.9715(3) 0.9014(2) 0.0389(11) Uani 1 1 d .
C10 C 0.9769(4) 0.7358(3) 0.8170(2) 0.0459(12) Uani 1 1 d .
C11 C 0.9172(5) 0.6749(4) 0.8430(3) 0.0570(14) Uani 1 1 d .
H11 H 0.8410 0.6613 0.8261 0.068 Uiso 1 1 calc R
C12 C 0.9677(6) 0.6358(4) 0.8918(3) 0.0701(17) Uani 1 1 d .
H12 H 0.9254 0.5949 0.9068 0.084 Uiso 1 1 calc R
C13 C 1.0783(7) 0.6543(5) 0.9196(3) 0.0789(19) Uani 1 1 d .
H13 H 1.1109 0.6284 0.9543 0.095 Uiso 1 1 calc R
C14 C 1.1409(6) 0.7119(5) 0.8959(3) 0.0744(19) Uani 1 1 d .
H14 H 1.2171 0.7235 0.9135 0.089 Uiso 1 1 calc R
C15 C 1.0914(5) 0.7533(4) 0.8454(3) 0.0538(14) Uani 1 1 d .
C16 C 1.1628(5) 0.8132(4) 0.8209(3) 0.0539(14) Uani 1 1 d .
H16 H 1.2388 0.8145 0.8361 0.065 Uiso 1 1 calc R
C17 C 1.2053(4) 0.9234(4) 0.7596(3) 0.0537(14) Uani 1 1 d .
H17A H 1.2790 0.9323 0.7889 0.064 Uiso 1 1 calc R
H17B H 1.2097 0.8968 0.7162 0.064 Uiso 1 1 calc R
C18 C 1.1621(4) 1.0106(4) 0.7595(3) 0.0530(14) Uani 1 1 d .
H18A H 1.1993 1.0471 0.7362 0.064 Uiso 1 1 calc R
H18B H 1.1739 1.0442 0.8038 0.064 Uiso 1 1 calc R
C19 C 0.9949(4) 1.0393(4) 0.6889(2) 0.0483(13) Uani 1 1 d .
H19 H 1.0388 1.0866 0.6809 0.058 Uiso 1 1 calc R
C20 C 0.8781(5) 1.0267(4) 0.6580(2) 0.0500(13) Uani 1 1 d .
C21 C 0.8385(6) 1.0836(4) 0.6144(3) 0.0698(17) Uani 1 1 d .
H21 H 0.8884 1.1254 0.6054 0.084 Uiso 1 1 calc R
C22 C 0.7304(6) 1.0784(5) 0.5862(3) 0.0763(19) Uani 1 1 d .
H22 H 0.7061 1.1154 0.5570 0.092 Uiso 1 1 calc R
C23 C 0.6544(5) 1.0180(4) 0.6003(3) 0.0647(16) Uani 1 1 d .
H23 H 0.5792 1.0162 0.5813 0.078 Uiso 1 1 calc R
C24 C 0.6882(5) 0.9618(4) 0.6412(3) 0.0576(15) Uani 1 1 d .
H24 H 0.6356 0.9220 0.6500 0.069 Uiso 1 1 calc R
C25 C 0.8015(4) 0.9618(4) 0.6710(2) 0.0444(12) Uani 1 1 d .
C26 C 0.9632(4) 0.7813(3) 0.5915(2) 0.0411(11) Uani 1 1 d .
C27 C 0.7292(4) 0.6202(3) 0.4558(2) 0.0465(12) Uani 1 1 d .
C28 C 0.6882(5) 0.5281(4) 0.4375(3) 0.0728(18) Uani 1 1 d .
H28 H 0.7378 0.4860 0.4427 0.087 Uiso 1 1 calc R
C29 C 0.5787(6) 0.4973(6) 0.4123(4) 0.096(2) Uani 1 1 d .
H29 H 0.5554 0.4355 0.3960 0.115 Uiso 1 1 calc R
C30 C 0.5016(6) 0.5580(6) 0.4108(4) 0.095(2) Uani 1 1 d .
H30 H 0.4263 0.5374 0.3996 0.114 Uiso 1 1 calc R
C31 C 0.5404(5) 0.6507(5) 0.4267(3) 0.0721(18) Uani 1 1 d .
H31 H 0.4893 0.6917 0.4216 0.087 Uiso 1 1 calc R
C32 C 0.6525(4) 0.6845(4) 0.4499(3) 0.0513(13) Uani 1 1 d .
C33 C 0.6840(4) 0.7833(4) 0.4680(2) 0.0461(12) Uani 1 1 d .
C34 C 0.5957(5) 0.8433(4) 0.4640(3) 0.0728(18) Uani 1 1 d .
H34A H 0.6288 0.9054 0.4807 0.109 Uiso 1 1 calc R
H34B H 0.5470 0.8269 0.4894 0.109 Uiso 1 1 calc R
H34C H 0.5545 0.8364 0.4195 0.109 Uiso 1 1 calc R
C35 C 1.1186(4) 0.8993(3) 0.5405(2) 0.0368(11) Uani 1 1 d .
C36 C 1.1511(4) 0.9908(3) 0.5723(2) 0.0412(11) Uani 1 1 d .
H36 H 1.1012 1.0324 0.5659 0.049 Uiso 1 1 calc R
C37 C 1.2547(4) 1.0192(4) 0.6123(3) 0.0510(13) Uani 1 1 d .
H37 H 1.2736 1.0792 0.6347 0.061 Uiso 1 1 calc R
C38 C 1.3315(4) 0.9596(4) 0.6198(3) 0.0572(15) Uani 1 1 d .
H38 H 1.4027 0.9800 0.6461 0.069 Uiso 1 1 calc R
C39 C 1.3035(4) 0.8707(4) 0.5887(3) 0.0512(13) Uani 1 1 d .
H39 H 1.3564 0.8313 0.5938 0.061 Uiso 1 1 calc R
C40 C 1.1943(4) 0.8371(3) 0.5487(2) 0.0402(11) Uani 1 1 d .
C41 C 1.1716(4) 0.7419(3) 0.5156(2) 0.0444(12) Uani 1 1 d .
C42 C 1.2633(5) 0.6897(4) 0.5076(3) 0.0668(17) Uani 1 1 d .
H42A H 1.2337 0.6285 0.4851 0.100 Uiso 1 1 calc R
H42B H 1.3104 0.6890 0.5496 0.100 Uiso 1 1 calc R
H42C H 1.3053 0.7177 0.4828 0.100 Uiso 1 1 calc R
C43 C 0.8864(4) 0.7470(3) 0.3904(3) 0.0476(13) Uani 1 1 d .
C44 C 0.9492(4) 0.7478(4) 0.1773(2) 0.0466(12) Uani 1 1 d .
C45 C 1.0118(4) 0.8156(4) 0.1571(3) 0.0560(14) Uani 1 1 d .
H45 H 0.9987 0.8757 0.1648 0.067 Uiso 1 1 calc R
C46 C 1.0921(5) 0.7911(5) 0.1261(4) 0.078(2) Uani 1 1 d .
H46 H 1.1330 0.8351 0.1129 0.094 Uiso 1 1 calc R
C47 C 1.1124(6) 0.7009(6) 0.1144(5) 0.100(3) Uani 1 1 d .
H47 H 1.1663 0.6851 0.0932 0.120 Uiso 1 1 calc R
C48 C 1.0556(6) 0.6381(5) 0.1331(4) 0.089(2) Uani 1 1 d .
H48 H 1.0700 0.5784 0.1241 0.107 Uiso 1 1 calc R
C49 C 0.9736(5) 0.6570(4) 0.1663(3) 0.0572(14) Uani 1 1 d .
C50 C 0.9205(5) 0.5872(4) 0.1873(3) 0.0635(16) Uani 1 1 d .
H50 H 0.9446 0.5306 0.1805 0.076 Uiso 1 1 calc R
C51 C 0.7809(9) 0.5150(5) 0.2282(5) 0.122(4) Uani 1 1 d .
H51A H 0.7398 0.4763 0.1871 0.146 Uiso 1 1 calc R
H51B H 0.8340 0.4806 0.2505 0.146 Uiso 1 1 calc R
C52 C 0.7078(6) 0.5377(5) 0.2659(5) 0.096(3) Uani 1 1 d .
H52A H 0.7456 0.5431 0.3115 0.115 Uiso 1 1 calc R
H52B H 0.6465 0.4891 0.2546 0.115 Uiso 1 1 calc R
C53 C 0.5733(5) 0.6372(4) 0.2705(3) 0.0622(16) Uani 1 1 d .
H53 H 0.5344 0.5932 0.2847 0.075 Uiso 1 1 calc R
C54 C 0.5272(4) 0.7192(4) 0.2646(3) 0.0535(14) Uani 1 1 d .
C55 C 0.4237(5) 0.7252(5) 0.2768(3) 0.0703(18) Uani 1 1 d .
H55 H 0.3901 0.6767 0.2895 0.084 Uiso 1 1 calc R
C56 C 0.3693(6) 0.7993(6) 0.2708(4) 0.087(2) Uani 1 1 d .
H56 H 0.2992 0.8002 0.2777 0.104 Uiso 1 1 calc R
C57 C 0.4215(5) 0.8733(5) 0.2540(3) 0.0730(19) Uani 1 1 d .
H57 H 0.3871 0.9250 0.2506 0.088 Uiso 1 1 calc R
C58 C 0.5222(4) 0.8696(4) 0.2428(3) 0.0574(15) Uani 1 1 d .
H58 H 0.5553 0.9192 0.2310 0.069 Uiso 1 1 calc R
C59 C 0.5794(4) 0.7937(4) 0.2482(2) 0.0504(14) Uani 1 1 d .
C60 C 0.6053(4) 0.5875(4) 0.0796(2) 0.0493(13) Uani 1 1 d .
C61 C 0.3838(4) 0.4808(4) 0.1017(3) 0.0483(13) Uani 1 1 d .
C62 C 0.3176(5) 0.5195(4) 0.1401(3) 0.0661(17) Uani 1 1 d .
H62 H 0.2761 0.5636 0.1258 0.079 Uiso 1 1 calc R
C63 C 0.3110(6) 0.4963(5) 0.1966(4) 0.079(2) Uani 1 1 d .
H63 H 0.2651 0.5231 0.2201 0.095 Uiso 1 1 calc R
C64 C 0.3731(6) 0.4324(6) 0.2188(3) 0.080(2) Uani 1 1 d .
H64 H 0.3732 0.4193 0.2593 0.096 Uiso 1 1 calc R
C65 C 0.4335(5) 0.3886(5) 0.1833(3) 0.0732(18) Uani 1 1 d .
H65 H 0.4699 0.3419 0.1976 0.088 Uiso 1 1 calc R
C66 C 0.4427(4) 0.4131(4) 0.1232(3) 0.0501(13) Uani 1 1 d .
C67 C 0.5085(4) 0.3608(4) 0.0858(3) 0.0516(13) Uani 1 1 d .
C68 C 0.5389(6) 0.2729(5) 0.1006(4) 0.089(2) Uani 1 1 d .
H68A H 0.5762 0.2455 0.0699 0.134 Uiso 1 1 calc R
H68B H 0.4731 0.2332 0.0978 0.134 Uiso 1 1 calc R
H68C H 0.5869 0.2828 0.1439 0.134 Uiso 1 1 calc R
Mn1 Mn 0.97281(6) 0.87884(5) 0.74608(3) 0.03927(19) Uani 1 1 d .
Mn2 Mn 0.76508(6) 0.70334(5) 0.22810(3) 0.03967(19) Uani 1 1 d .
N1 N 1.0648(3) 1.1298(3) 1.00369(19) 0.0476(10) Uani 1 1 d .
H1 H 1.0278 1.1716 1.0163 0.057 Uiso 1 1 calc R
N2 N 0.9794(3) 0.9535(3) 0.8469(2) 0.0483(10) Uani 1 1 d .
N3 N 1.0427(3) 0.9897(3) 0.72686(19) 0.0423(10) Uani 1 1 d .
N4 N 1.1299(3) 0.8626(3) 0.7812(2) 0.0436(10) Uani 1 1 d .
N5 N 0.9804(4) 0.8002(3) 0.6463(2) 0.0523(11) Uani 1 1 d .
N6 N 0.7872(3) 0.8187(3) 0.48775(19) 0.0458(10) Uani 1 1 d .
H6 H 0.7980 0.8766 0.5018 0.055 Uiso 1 1 calc R
N7 N 1.0691(3) 0.7035(3) 0.49181(19) 0.0450(10) Uani 1 1 d .
H7 H 1.0602 0.6468 0.4741 0.054 Uiso 1 1 calc R
N8 N 0.8626(4) 0.7406(3) 0.3352(2) 0.0606(13) Uani 1 1 d .
N9 N 0.6665(4) 0.6192(3) 0.2573(2) 0.0515(11) Uani 1 1 d .
N10 N 0.8407(4) 0.5945(3) 0.2152(2) 0.0586(12) Uani 1 1 d .
N11 N 0.6601(4) 0.6400(3) 0.1231(2) 0.0648(13) Uani 1 1 d .
N12 N 0.5371(3) 0.3907(3) 0.0393(2) 0.0505(11) Uani 1 1 d .
H12A H 0.5796 0.3586 0.0218 0.061 Uiso 1 1 calc R
O1 O 1.1542(3) 0.9711(3) 1.01549(17) 0.0511(9) Uani 1 1 d .
O2 O 0.8293(3) 0.9062(2) 0.70928(17) 0.0490(9) Uani 1 1 d .
O3 O 0.9228(3) 0.7701(2) 0.76792(17) 0.0500(9) Uani 1 1 d .
O4 O 0.8373(3) 0.6409(2) 0.48161(17) 0.0469(8) Uani 1 1 d .
O5 O 1.0156(3) 0.8787(2) 0.50176(15) 0.0411(8) Uani 1 1 d .
O6 O 0.6769(3) 0.7969(2) 0.23684(18) 0.0510(9) Uani 1 1 d .
O7 O 0.8707(3) 0.7738(2) 0.20309(16) 0.0482(9) Uani 1 1 d .
O8 O 0.3822(3) 0.5088(2) 0.04661(17) 0.0494(9) Uani 1 1 d .
Ru1 Ru 1.0000 1.0000 1.0000 0.03879(15) Uani 1 2 d S
Ru2 Ru 0.92731(3) 0.76007(3) 0.491039(17) 0.03755(13) Uani 1 1 d .
Ru3 Ru 0.5000 0.5000 0.0000 0.04004(16) Uani 1 2 d S
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'
Mn Mn 0.3368 0.7283 '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
O1 C1 C6 124.8(5) . .
O1 C1 C2 115.2(6) . .
C6 C1 C2 119.9(5) . .
C3 C2 C1 119.4(7) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C4 C3 C2 120.3(6) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C5 C4 C3 120.6(6) . .
C5 C4 H4 119.7 . .
C3 C4 H4 119.7 . .
C4 C5 C6 122.8(7) . .
C4 C5 H5 118.6 . .
C6 C5 H5 118.6 . .
C1 C6 C5 116.7(5) . .
C1 C6 C7 123.1(5) . .
C5 C6 C7 120.2(6) . .
N1 C7 C6 120.7(5) . .
N1 C7 C8 118.7(5) . .
C6 C7 C8 120.5(5) . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 C9 Ru1 177.7(5) . .
O3 C10 C15 125.4(5) . .
O3 C10 C11 118.9(5) . .
C15 C10 C11 115.7(5) . .
C12 C11 C10 121.9(6) . .
C12 C11 H11 119.1 . .
C10 C11 H11 119.1 . .
C11 C12 C13 122.0(6) . .
C11 C12 H12 119.0 . .
C13 C12 H12 119.0 . .
C12 C13 C14 118.9(6) . .
C12 C13 H13 120.6 . .
C14 C13 H13 120.6 . .
C13 C14 C15 120.5(6) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
C14 C15 C10 121.0(5) . .
C14 C15 C16 118.3(5) . .
C10 C15 C16 120.6(5) . .
N4 C16 C15 125.6(5) . .
N4 C16 H16 117.2 . .
C15 C16 H16 117.2 . .
C18 C17 N4 108.2(4) . .
C18 C17 H17A 110.1 . .
N4 C17 H17A 110.1 . .
C18 C17 H17B 110.1 . .
N4 C17 H17B 110.1 . .
H17A C17 H17B 108.4 . .
C17 C18 N3 106.9(4) . .
C17 C18 H18A 110.3 . .
N3 C18 H18A 110.3 . .
C17 C18 H18B 110.3 . .
N3 C18 H18B 110.3 . .
H18A C18 H18B 108.6 . .
N3 C19 C20 124.5(5) . .
N3 C19 H19 117.8 . .
C20 C19 H19 117.8 . .
C21 C20 C25 119.3(5) . .
C21 C20 C19 117.9(5) . .
C25 C20 C19 122.8(5) . .
C22 C21 C20 121.1(6) . .
C22 C21 H21 119.4 . .
C20 C21 H21 119.4 . .
C21 C22 C23 120.3(6) . .
C21 C22 H22 119.8 . .
C23 C22 H22 119.8 . .
C24 C23 C22 120.8(6) . .
C24 C23 H23 119.6 . .
C22 C23 H23 119.6 . .
C23 C24 C25 121.7(6) . .
C23 C24 H24 119.1 . .
C25 C24 H24 119.1 . .
O2 C25 C24 119.2(5) . .
O2 C25 C20 124.0(5) . .
C24 C25 C20 116.7(5) . .
N5 C26 Ru2 174.1(5) . .
O4 C27 C28 116.4(5) . .
O4 C27 C32 125.1(5) . .
C28 C27 C32 118.4(5) . .
C29 C28 C27 122.7(7) . .
C29 C28 H28 118.7 . .
C27 C28 H28 118.7 . .
C28 C29 C30 119.9(7) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C29 C30 C31 118.2(7) . .
C29 C30 H30 120.9 . .
C31 C30 H30 120.9 . .
C30 C31 C32 122.7(7) . .
C30 C31 H31 118.7 . .
C32 C31 H31 118.7 . .
C31 C32 C27 117.5(6) . .
C31 C32 C33 118.2(5) . .
C27 C32 C33 124.2(5) . .
N6 C33 C32 121.0(5) . .
N6 C33 C34 119.8(5) . .
C32 C33 C34 119.2(5) . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O5 C35 C40 124.2(4) . .
O5 C35 C36 116.1(4) . .
C40 C35 C36 119.7(4) . .
C37 C36 C35 120.8(5) . .
C37 C36 H36 119.6 . .
C35 C36 H36 119.6 . .
C36 C37 C38 120.5(5) . .
C36 C37 H37 119.8 . .
C38 C37 H37 119.8 . .
C39 C38 C37 120.2(5) . .
C39 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C38 C39 C40 121.2(5) . .
C38 C39 H39 119.4 . .
C40 C39 H39 119.4 . .
C35 C40 C39 117.5(5) . .
C35 C40 C41 124.4(4) . .
C39 C40 C41 117.9(5) . .
N7 C41 C40 119.2(4) . .
N7 C41 C42 120.2(5) . .
C40 C41 C42 120.5(5) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
N8 C43 Ru2 179.0(5) . .
O7 C44 C45 116.8(5) . .
O7 C44 C49 124.5(5) . .
C45 C44 C49 118.6(5) . .
C46 C45 C44 119.5(5) . .
C46 C45 H45 120.2 . .
C44 C45 H45 120.2 . .
C45 C46 C47 120.6(6) . .
C45 C46 H46 119.7 . .
C47 C46 H46 119.7 . .
C48 C47 C46 120.3(6) . .
C48 C47 H47 119.8 . .
C46 C47 H47 119.8 . .
C47 C48 C49 123.1(6) . .
C47 C48 H48 118.5 . .
C49 C48 H48 118.5 . .
C50 C49 C48 119.6(5) . .
C50 C49 C44 122.6(5) . .
C48 C49 C44 117.8(5) . .
N10 C50 C49 125.7(5) . .
N10 C50 H50 117.2 . .
C49 C50 H50 117.2 . .
C52 C51 N10 113.1(6) . .
C52 C51 H51A 109.0 . .
N10 C51 H51A 109.0 . .
C52 C51 H51B 109.0 . .
N10 C51 H51B 109.0 . .
H51A C51 H51B 107.8 . .
C51 C52 N9 112.8(6) . .
C51 C52 H52A 109.0 . .
N9 C52 H52A 109.0 . .
C51 C52 H52B 109.0 . .
N9 C52 H52B 109.0 . .
H52A C52 H52B 107.8 . .
N9 C53 C54 124.9(5) . .
N9 C53 H53 117.6 . .
C54 C53 H53 117.6 . .
C55 C54 C59 118.3(6) . .
C55 C54 C53 117.6(5) . .
C59 C54 C53 124.1(5) . .
C56 C55 C54 123.0(7) . .
C56 C55 H55 118.5 . .
C54 C55 H55 118.5 . .
C55 C56 C57 118.4(6) . .
C55 C56 H56 120.8 . .
C57 C56 H56 120.8 . .
C58 C57 C56 119.7(7) . .
C58 C57 H57 120.2 . .
C56 C57 H57 120.2 . .
C57 C58 C59 122.9(6) . .
C57 C58 H58 118.5 . .
C59 C58 H58 118.5 . .
O6 C59 C54 124.0(5) . .
O6 C59 C58 118.4(5) . .
C54 C59 C58 117.6(5) . .
N11 C60 Ru3 176.1(5) . .
O8 C61 C66 125.1(5) . .
O8 C61 C62 117.7(5) . .
C66 C61 C62 117.2(5) . .
C63 C62 C61 123.5(7) . .
C63 C62 H62 118.3 . .
C61 C62 H62 118.3 . .
C62 C63 C64 118.9(7) . .
C62 C63 H63 120.5 . .
C64 C63 H63 120.5 . .
C65 C64 C63 121.2(7) . .
C65 C64 H64 119.4 . .
C63 C64 H64 119.4 . .
C64 C65 C66 120.5(7) . .
C64 C65 H65 119.7 . .
C66 C65 H65 119.7 . .
C61 C66 C65 118.4(5) . .
C61 C66 C67 123.6(5) . .
C65 C66 C67 117.8(6) . .
N12 C67 C68 120.1(6) . .
N12 C67 C66 119.9(5) . .
C68 C67 C66 120.0(5) . .
C67 C68 H68A 109.5 . .
C67 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C67 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
O3 Mn1 O2 95.29(15) . .
O3 Mn1 N3 173.46(17) . .
O2 Mn1 N3 91.24(17) . .
O3 Mn1 N4 91.34(17) . .
O2 Mn1 N4 173.34(17) . .
N3 Mn1 N4 82.13(18) . .
O3 Mn1 N2 89.20(16) . .
O2 Mn1 N2 93.74(16) . .
N3 Mn1 N2 90.76(16) . .
N4 Mn1 N2 86.97(16) . .
O3 Mn1 N5 90.59(16) . .
O2 Mn1 N5 90.90(16) . .
N3 Mn1 N5 88.92(16) . .
N4 Mn1 N5 88.39(16) . .
N2 Mn1 N5 175.36(16) . .
O7 Mn2 O6 93.90(15) . .
O7 Mn2 N10 91.92(17) . .
O6 Mn2 N10 172.95(18) . .
O7 Mn2 N9 173.30(18) . .
O6 Mn2 N9 92.41(18) . .
N10 Mn2 N9 81.95(19) . .
O7 Mn2 N8 92.25(16) . .
O6 Mn2 N8 93.40(17) . .
N10 Mn2 N8 90.3(2) . .
N9 Mn2 N8 85.12(18) . .
O7 Mn2 N11 95.56(17) . .
O6 Mn2 N11 92.60(17) . .
N10 Mn2 N11 82.9(2) . .
N9 Mn2 N11 86.40(19) . .
N8 Mn2 N11 169.80(18) . .
C7 N1 Ru1 128.2(4) . .
C7 N1 H1 115.9 . .
Ru1 N1 H1 115.9 . .
C9 N2 Mn1 163.8(4) . .
C19 N3 C18 120.9(4) . .
C19 N3 Mn1 126.4(4) . .
C18 N3 Mn1 112.7(3) . .
C16 N4 C17 123.3(5) . .
C16 N4 Mn1 125.1(4) . .
C17 N4 Mn1 111.3(4) . .
C26 N5 Mn1 158.0(4) . .
C33 N6 Ru2 130.6(4) . .
C33 N6 H6 114.7 . .
Ru2 N6 H6 114.7 . .
C41 N7 Ru2 128.8(3) . .
C41 N7 H7 115.6 . .
Ru2 N7 H7 115.6 . .
C43 N8 Mn2 161.8(4) . .
C53 N9 C52 121.4(5) . .
C53 N9 Mn2 124.9(4) . .
C52 N9 Mn2 113.6(4) . .
C50 N10 C51 121.8(5) . .
C50 N10 Mn2 125.4(4) . .
C51 N10 Mn2 111.7(4) . .
C60 N11 Mn2 160.0(5) . .
C67 N12 Ru3 131.3(4) . .
C67 N12 H12A 114.3 . .
Ru3 N12 H12A 114.3 . .
C1 O1 Ru1 121.0(4) . .
C25 O2 Mn1 128.6(3) . .
C10 O3 Mn1 124.7(3) . .
C27 O4 Ru2 126.3(3) . .
C35 O5 Ru2 121.7(3) . .
C59 O6 Mn2 129.0(3) . .
C44 O7 Mn2 128.8(3) . .
C61 O8 Ru3 125.5(3) . .
O1 Ru1 O1 180.000(2) . 2_777
O1 Ru1 N1 86.58(16) . .
O1 Ru1 N1 93.42(16) 2_777 .
O1 Ru1 N1 93.42(16) . 2_777
O1 Ru1 N1 86.58(16) 2_777 2_777
N1 Ru1 N1 180.000(1) . 2_777
O1 Ru1 C9 90.77(17) . 2_777
O1 Ru1 C9 89.23(16) 2_777 2_777
N1 Ru1 C9 90.88(17) . 2_777
N1 Ru1 C9 89.12(17) 2_777 2_777
O1 Ru1 C9 89.23(16) . .
O1 Ru1 C9 90.77(17) 2_777 .
N1 Ru1 C9 89.12(17) . .
N1 Ru1 C9 90.88(17) 2_777 .
C9 Ru1 C9 180.000(2) 2_777 .
O5 Ru2 O4 179.00(13) . .
O5 Ru2 N6 91.34(15) . .
O4 Ru2 N6 88.14(16) . .
O5 Ru2 N7 87.36(15) . .
O4 Ru2 N7 93.18(15) . .
N6 Ru2 N7 177.93(17) . .
O5 Ru2 C26 87.60(16) . .
O4 Ru2 C26 91.55(16) . .
N6 Ru2 C26 90.72(17) . .
N7 Ru2 C26 90.84(17) . .
O5 Ru2 C43 90.32(16) . .
O4 Ru2 C43 90.50(17) . .
N6 Ru2 C43 85.95(18) . .
N7 Ru2 C43 92.44(18) . .
C26 Ru2 C43 176.0(2) . .
O8 Ru3 O8 180.0(2) 2_665 .
O8 Ru3 N12 87.24(16) 2_665 2_665
O8 Ru3 N12 92.76(16) . 2_665
O8 Ru3 N12 92.76(16) 2_665 .
O8 Ru3 N12 87.24(16) . .
N12 Ru3 N12 180.0(2) 2_665 .
O8 Ru3 C60 91.71(18) 2_665 .
O8 Ru3 C60 88.29(18) . .
N12 Ru3 C60 88.26(19) 2_665 .
N12 Ru3 C60 91.74(19) . .
O8 Ru3 C60 88.29(18) 2_665 2_665
O8 Ru3 C60 91.71(18) . 2_665
N12 Ru3 C60 91.74(19) 2_665 2_665
N12 Ru3 C60 88.26(19) . 2_665
C60 Ru3 C60 180.000(1) . 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.333(6) .
C1 C6 1.403(8) .
C1 C2 1.422(8) .
C2 C3 1.380(9) .
C2 H2 0.9300 .
C3 C4 1.377(10) .
C3 H3 0.9300 .
C4 C5 1.332(9) .
C4 H4 0.9300 .
C5 C6 1.420(7) .
C5 H5 0.9300 .
C6 C7 1.448(8) .
C7 N1 1.288(6) .
C7 C8 1.498(8) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 N2 1.144(6) .
C9 Ru1 2.058(5) .
C10 O3 1.328(6) .
C10 C15 1.403(7) .
C10 C11 1.411(7) .
C11 C12 1.350(8) .
C11 H11 0.9300 .
C12 C13 1.357(9) .
C12 H12 0.9300 .
C13 C14 1.369(9) .
C13 H13 0.9300 .
C14 C15 1.395(8) .
C14 H14 0.9300 .
C15 C16 1.470(8) .
C16 N4 1.254(7) .
C16 H16 0.9300 .
C17 C18 1.468(8) .
C17 N4 1.473(6) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 N3 1.477(6) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 N3 1.284(6) .
C19 C20 1.439(7) .
C19 H19 0.9300 .
C20 C21 1.416(8) .
C20 C25 1.426(7) .
C21 C22 1.337(9) .
C21 H21 0.9300 .
C22 C23 1.388(9) .
C22 H22 0.9300 .
C23 C24 1.352(8) .
C23 H23 0.9300 .
C24 C25 1.414(7) .
C24 H24 0.9300 .
C25 O2 1.291(6) .
C26 N5 1.132(6) .
C26 Ru2 2.067(5) .
C27 O4 1.324(6) .
C27 C28 1.392(8) .
C27 C32 1.426(8) .
C28 C29 1.358(8) .
C28 H28 0.9300 .
C29 C30 1.389(11) .
C29 H29 0.9300 .
C30 C31 1.395(10) .
C30 H30 0.9300 .
C31 C32 1.394(7) .
C31 H31 0.9300 .
C32 C33 1.466(8) .
C33 N6 1.297(6) .
C33 C34 1.489(8) .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 O5 1.338(5) .
C35 C40 1.396(7) .
C35 C36 1.405(7) .
C36 C37 1.362(7) .
C36 H36 0.9300 .
C37 C38 1.376(8) .
C37 H37 0.9300 .
C38 C39 1.364(8) .
C38 H38 0.9300 .
C39 C40 1.429(7) .
C39 H39 0.9300 .
C40 C41 1.459(7) .
C41 N7 1.306(6) .
C41 C42 1.478(7) .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 N8 1.142(6) .
C43 Ru2 2.079(6) .
C44 O7 1.301(6) .
C44 C45 1.429(7) .
C44 C49 1.423(7) .
C45 C46 1.382(8) .
C45 H45 0.9300 .
C46 C47 1.397(10) .
C46 H46 0.9300 .
C47 C48 1.316(10) .
C47 H47 0.9300 .
C48 C49 1.412(8) .
C48 H48 0.9300 .
C49 C50 1.398(8) .
C50 N10 1.292(7) .
C50 H50 0.9300 .
C51 C52 1.394(10) .
C51 N10 1.466(8) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 N9 1.401(8) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C53 N9 1.310(7) .
C53 C54 1.423(8) .
C53 H53 0.9300 .
C54 C55 1.396(7) .
C54 C59 1.397(8) .
C55 C56 1.369(10) .
C55 H55 0.9300 .
C56 C57 1.393(10) .
C56 H56 0.9300 .
C57 C58 1.350(8) .
C57 H57 0.9300 .
C58 C59 1.411(8) .
C58 H58 0.9300 .
C59 O6 1.305(6) .
C60 N11 1.146(6) .
C60 Ru3 2.062(5) .
C61 O8 1.328(6) .
C61 C66 1.393(8) .
C61 C62 1.404(7) .
C62 C63 1.347(9) .
C62 H62 0.9300 .
C63 C64 1.371(10) .
C63 H63 0.9300 .
C64 C65 1.340(9) .
C64 H64 0.9300 .
C65 C66 1.439(8) .
C65 H65 0.9300 .
C66 C67 1.474(7) .
C67 N12 1.284(7) .
C67 C68 1.480(8) .
C68 H68A 0.9600 .
C68 H68B 0.9600 .
C68 H68C 0.9600 .
Mn1 O3 1.884(4) .
Mn1 O2 1.900(3) .
Mn1 N3 1.978(4) .
Mn1 N4 1.990(4) .
Mn1 N2 2.247(4) .
Mn1 N5 2.298(4) .
Mn2 O7 1.869(3) .
Mn2 O6 1.882(3) .
Mn2 N10 1.980(5) .
Mn2 N9 1.984(4) .
Mn2 N8 2.286(4) .
Mn2 N11 2.319(4) .
N1 Ru1 2.035(4) .
N1 H1 0.8600 .
N6 Ru2 2.031(4) .
N6 H6 0.8600 .
N7 Ru2 2.040(4) .
N7 H7 0.8600 .
N12 Ru3 2.024(5) .
N12 H12A 0.8600 .
O1 Ru1 1.986(3) .
O4 Ru2 1.991(3) .
O5 Ru2 1.969(3) .
O8 Ru3 1.984(3) .
Ru1 O1 1.986(3) 2_777
Ru1 N1 2.035(4) 2_777
Ru1 C9 2.058(5) 2_777
Ru3 O8 1.984(3) 2_665
Ru3 N12 2.024(5) 2_665
Ru3 C60 2.062(5) 2_665
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_4
O1 C1 C2 C3 177.3(5) .
C6 C1 C2 C3 -6.1(8) .
C1 C2 C3 C4 2.2(9) .
C2 C3 C4 C5 2.0(11) .
C3 C4 C5 C6 -2.4(10) .
O1 C1 C6 C5 -178.1(5) .
C2 C1 C6 C5 5.6(7) .
O1 C1 C6 C7 3.9(8) .
C2 C1 C6 C7 -172.3(5) .
C4 C5 C6 C1 -1.4(9) .
C4 C5 C6 C7 176.5(6) .
C1 C6 C7 N1 -20.2(8) .
C5 C6 C7 N1 161.9(5) .
C1 C6 C7 C8 157.3(5) .
C5 C6 C7 C8 -20.6(8) .
O3 C10 C11 C12 178.3(5) .
C15 C10 C11 C12 -0.4(8) .
C10 C11 C12 C13 1.6(10) .
C11 C12 C13 C14 -2.4(11) .
C12 C13 C14 C15 2.3(11) .
C13 C14 C15 C10 -1.2(10) .
C13 C14 C15 C16 -178.9(6) .
O3 C10 C15 C14 -178.3(5) .
C11 C10 C15 C14 0.3(8) .
O3 C10 C15 C16 -0.7(8) .
C11 C10 C15 C16 177.9(5) .
C14 C15 C16 N4 -171.6(6) .
C10 C15 C16 N4 10.6(9) .
N4 C17 C18 N3 -46.7(5) .
N3 C19 C20 C21 -176.5(5) .
N3 C19 C20 C25 5.6(8) .
C25 C20 C21 C22 0.9(9) .
C19 C20 C21 C22 -177.0(6) .
C20 C21 C22 C23 1.5(10) .
C21 C22 C23 C24 -1.9(10) .
C22 C23 C24 C25 -0.2(9) .
C23 C24 C25 O2 -179.4(5) .
C23 C24 C25 C20 2.5(7) .
C21 C20 C25 O2 179.2(5) .
C19 C20 C25 O2 -2.9(8) .
C21 C20 C25 C24 -2.9(7) .
C19 C20 C25 C24 175.0(5) .
O4 C27 C28 C29 177.9(6) .
C32 C27 C28 C29 2.2(10) .
C27 C28 C29 C30 -7.4(12) .
C28 C29 C30 C31 9.3(13) .
C29 C30 C31 C32 -6.5(12) .
C30 C31 C32 C27 1.5(9) .
C30 C31 C32 C33 -177.2(6) .
O4 C27 C32 C31 -174.5(5) .
C28 C27 C32 C31 0.8(8) .
O4 C27 C32 C33 4.1(8) .
C28 C27 C32 C33 179.3(5) .
C31 C32 C33 N6 -177.6(5) .
C27 C32 C33 N6 3.8(8) .
C31 C32 C33 C34 2.9(8) .
C27 C32 C33 C34 -175.6(5) .
O5 C35 C36 C37 -179.3(4) .
C40 C35 C36 C37 -1.7(7) .
C35 C36 C37 C38 3.3(8) .
C36 C37 C38 C39 -2.0(9) .
C37 C38 C39 C40 -0.8(9) .
O5 C35 C40 C39 176.3(4) .
C36 C35 C40 C39 -1.1(7) .
O5 C35 C40 C41 0.7(8) .
C36 C35 C40 C41 -176.7(4) .
C38 C39 C40 C35 2.3(8) .
C38 C39 C40 C41 178.2(5) .
C35 C40 C41 N7 -20.8(7) .
C39 C40 C41 N7 163.7(5) .
C35 C40 C41 C42 157.8(5) .
C39 C40 C41 C42 -17.7(7) .
O7 C44 C45 C46 -176.4(5) .
C49 C44 C45 C46 1.6(8) .
C44 C45 C46 C47 0.0(10) .
C45 C46 C47 C48 -0.4(13) .
C46 C47 C48 C49 -1.0(14) .
C47 C48 C49 C50 -177.1(8) .
C47 C48 C49 C44 2.6(12) .
O7 C44 C49 C50 -5.3(9) .
C45 C44 C49 C50 176.8(6) .
O7 C44 C49 C48 175.0(6) .
C45 C44 C49 C48 -2.9(8) .
C48 C49 C50 N10 -176.4(6) .
C44 C49 C50 N10 3.9(10) .
N10 C51 C52 N9 29.1(12) .
N9 C53 C54 C55 176.1(6) .
N9 C53 C54 C59 -4.5(9) .
C59 C54 C55 C56 2.6(9) .
C53 C54 C55 C56 -177.9(6) .
C54 C55 C56 C57 -2.3(10) .
C55 C56 C57 C58 1.4(10) .
C56 C57 C58 C59 -1.0(10) .
C55 C54 C59 O6 178.7(5) .
C53 C54 C59 O6 -0.6(8) .
C55 C54 C59 C58 -2.0(7) .
C53 C54 C59 C58 178.6(5) .
C57 C58 C59 O6 -179.4(5) .
C57 C58 C59 C54 1.3(8) .
O8 C61 C62 C63 179.2(6) .
C66 C61 C62 C63 1.8(8) .
C61 C62 C63 C64 1.0(10) .
C62 C63 C64 C65 -4.8(11) .
C63 C64 C65 C66 5.5(10) .
O8 C61 C66 C65 -178.3(5) .
C62 C61 C66 C65 -1.1(7) .
O8 C61 C66 C67 -2.3(8) .
C62 C61 C66 C67 174.9(5) .
C64 C65 C66 C61 -2.5(8) .
C64 C65 C66 C67 -178.7(6) .
C61 C66 C67 N12 17.6(8) .
C65 C66 C67 N12 -166.4(5) .
C61 C66 C67 C68 -160.7(6) .
C65 C66 C67 C68 15.3(8) .
C6 C7 N1 Ru1 -3.4(7) .
C8 C7 N1 Ru1 179.1(4) .
Ru1 C9 N2 Mn1 33(12) .
O3 Mn1 N2 C9 24.5(15) .
O2 Mn1 N2 C9 119.7(15) .
N3 Mn1 N2 C9 -149.0(15) .
N4 Mn1 N2 C9 -66.9(15) .
N5 Mn1 N2 C9 -63(3) .
C20 C19 N3 C18 -176.6(4) .
C20 C19 N3 Mn1 5.8(7) .
C17 C18 N3 C19 -141.9(5) .
C17 C18 N3 Mn1 36.0(5) .
O3 Mn1 N3 C19 162.6(12) .
O2 Mn1 N3 C19 -14.0(4) .
N4 Mn1 N3 C19 165.4(4) .
N2 Mn1 N3 C19 -107.8(4) .
N5 Mn1 N3 C19 76.9(4) .
O3 Mn1 N3 C18 -15.1(15) .
O2 Mn1 N3 C18 168.2(3) .
N4 Mn1 N3 C18 -12.4(3) .
N2 Mn1 N3 C18 74.5(3) .
N5 Mn1 N3 C18 -100.9(3) .
C15 C16 N4 C17 178.3(5) .
C15 C16 N4 Mn1 4.5(8) .
C18 C17 N4 C16 -136.6(5) .
C18 C17 N4 Mn1 37.9(5) .
O3 Mn1 N4 C16 -20.1(4) .
O2 Mn1 N4 C16 165.3(12) .
N3 Mn1 N4 C16 160.2(5) .
N2 Mn1 N4 C16 69.0(4) .
N5 Mn1 N4 C16 -110.7(4) .
O3 Mn1 N4 C17 165.5(3) .
O2 Mn1 N4 C17 -9.0(15) .
N3 Mn1 N4 C17 -14.2(3) .
N2 Mn1 N4 C17 -105.4(3) .
N5 Mn1 N4 C17 75.0(3) .
Ru2 C26 N5 Mn1 20(5) .
O3 Mn1 N5 C26 125.0(11) .
O2 Mn1 N5 C26 29.7(11) .
N3 Mn1 N5 C26 -61.5(11) .
N4 Mn1 N5 C26 -143.7(11) .
N2 Mn1 N5 C26 -147.6(18) .
C32 C33 N6 Ru2 7.2(7) .
C34 C33 N6 Ru2 -173.4(4) .
C40 C41 N7 Ru2 2.3(7) .
C42 C41 N7 Ru2 -176.3(4) .
Ru2 C43 N8 Mn2 -63(29) .
O7 Mn2 N8 C43 172.8(16) .
O6 Mn2 N8 C43 78.8(16) .
N10 Mn2 N8 C43 -95.3(16) .
N9 Mn2 N8 C43 -13.4(16) .
N11 Mn2 N8 C43 -47(2) .
C54 C53 N9 C52 178.3(6) .
C54 C53 N9 Mn2 1.3(8) .
C51 C52 N9 C53 157.4(8) .
C51 C52 N9 Mn2 -25.3(10) .
O7 Mn2 N9 C53 164.3(13) .
O6 Mn2 N9 C53 4.1(5) .
N10 Mn2 N9 C53 -171.7(5) .
N8 Mn2 N9 C53 97.3(5) .
N11 Mn2 N9 C53 -88.4(5) .
O7 Mn2 N9 C52 -12.9(17) .
O6 Mn2 N9 C52 -173.1(5) .
N10 Mn2 N9 C52 11.1(5) .
N8 Mn2 N9 C52 -79.9(5) .
N11 Mn2 N9 C52 94.4(5) .
C49 C50 N10 C51 172.4(7) .
C49 C50 N10 Mn2 5.8(9) .
C52 C51 N10 C50 172.2(7) .
C52 C51 N10 Mn2 -19.6(10) .
O7 Mn2 N10 C50 -10.5(5) .
O6 Mn2 N10 C50 135.1(13) .
N9 Mn2 N10 C50 172.2(5) .
N8 Mn2 N10 C50 -102.8(5) .
N11 Mn2 N10 C50 84.9(5) .
O7 Mn2 N10 C51 -178.3(6) .
O6 Mn2 N10 C51 -32.6(17) .
N9 Mn2 N10 C51 4.5(6) .
N8 Mn2 N10 C51 89.5(6) .
N11 Mn2 N10 C51 -82.9(6) .
Ru3 C60 N11 Mn2 135(7) .
O7 Mn2 N11 C60 143.9(14) .
O6 Mn2 N11 C60 -121.9(14) .
N10 Mn2 N11 C60 52.7(14) .
N9 Mn2 N11 C60 -29.7(14) .
N8 Mn2 N11 C60 4(2) .
C68 C67 N12 Ru3 173.8(4) .
C66 C67 N12 Ru3 -4.5(7) .
C6 C1 O1 Ru1 33.6(6) .
C2 C1 O1 Ru1 -150.0(4) .
C24 C25 O2 Mn1 170.4(3) .
C20 C25 O2 Mn1 -11.8(7) .
O3 Mn1 O2 C25 -162.5(4) .
N3 Mn1 O2 C25 17.1(4) .
N4 Mn1 O2 C25 12.0(15) .
N2 Mn1 O2 C25 107.9(4) .
N5 Mn1 O2 C25 -71.9(4) .
C15 C10 O3 Mn1 -23.9(7) .
C11 C10 O3 Mn1 157.5(4) .
O2 Mn1 O3 C10 -151.5(4) .
N3 Mn1 O3 C10 31.9(15) .
N4 Mn1 O3 C10 29.1(4) .
N2 Mn1 O3 C10 -57.9(4) .
N5 Mn1 O3 C10 117.5(4) .
C28 C27 O4 Ru2 162.6(4) .
C32 C27 O4 Ru2 -22.0(7) .
C40 C35 O5 Ru2 35.8(6) .
C36 C35 O5 Ru2 -146.7(3) .
C54 C59 O6 Mn2 8.8(7) .
C58 C59 O6 Mn2 -170.4(4) .
O7 Mn2 O6 C59 173.1(4) .
N10 Mn2 O6 C59 27.6(17) .
N9 Mn2 O6 C59 -9.2(4) .
N8 Mn2 O6 C59 -94.4(4) .
N11 Mn2 O6 C59 77.3(4) .
C45 C44 O7 Mn2 174.1(4) .
C49 C44 O7 Mn2 -3.8(7) .
O6 Mn2 O7 C44 -166.4(4) .
N10 Mn2 O7 C44 9.6(4) .
N9 Mn2 O7 C44 33.4(16) .
N8 Mn2 O7 C44 100.0(4) .
N11 Mn2 O7 C44 -73.4(4) .
C66 C61 O8 Ru3 -25.2(7) .
C62 C61 O8 Ru3 157.6(4) .
C1 O1 Ru1 O1 -77(100) 2_777
C1 O1 Ru1 N1 -40.6(4) .
C1 O1 Ru1 N1 139.4(4) 2_777
C1 O1 Ru1 C9 -131.4(4) 2_777
C1 O1 Ru1 C9 48.6(4) .
C7 N1 Ru1 O1 27.6(4) .
C7 N1 Ru1 O1 -152.4(4) 2_777
C7 N1 Ru1 N1 -159(100) 2_777
C7 N1 Ru1 C9 118.3(5) 2_777
C7 N1 Ru1 C9 -61.7(5) .
N2 C9 Ru1 O1 33(11) .
N2 C9 Ru1 O1 -147(11) 2_777
N2 C9 Ru1 N1 119(11) .
N2 C9 Ru1 N1 -61(11) 2_777
N2 C9 Ru1 C9 -133(100) 2_777
C35 O5 Ru2 O4 84(8) .
C35 O5 Ru2 N6 142.4(3) .
C35 O5 Ru2 N7 -39.2(3) .
C35 O5 Ru2 C26 51.8(3) .
C35 O5 Ru2 C43 -131.6(3) .
C27 O4 Ru2 O5 82(8) .
C27 O4 Ru2 N6 23.6(4) .
C27 O4 Ru2 N7 -154.8(4) .
C27 O4 Ru2 C26 114.2(4) .
C27 O4 Ru2 C43 -62.4(4) .
C33 N6 Ru2 O5 163.8(4) .
C33 N6 Ru2 O4 -17.0(4) .
C33 N6 Ru2 N7 113(4) .
C33 N6 Ru2 C26 -108.6(5) .
C33 N6 Ru2 C43 73.6(5) .
C41 N7 Ru2 O5 21.8(4) .
C41 N7 Ru2 O4 -157.4(4) .
C41 N7 Ru2 N6 73(5) .
C41 N7 Ru2 C26 -65.8(4) .
C41 N7 Ru2 C43 112.0(4) .
N5 C26 Ru2 O5 47(4) .
N5 C26 Ru2 O4 -132(4) .
N5 C26 Ru2 N6 -44(4) .
N5 C26 Ru2 N7 135(4) .
N5 C26 Ru2 C43 -11(6) .
N8 C43 Ru2 O5 -86(28) .
N8 C43 Ru2 O4 94(28) .
N8 C43 Ru2 N6 6(28) .
N8 C43 Ru2 N7 -173(100) .
N8 C43 Ru2 C26 -27(30) .
C61 O8 Ru3 O8 147.9(4) 2_665
C61 O8 Ru3 N12 -152.1(4) 2_665
C61 O8 Ru3 N12 27.9(4) .
C61 O8 Ru3 C60 -64.0(4) .
C61 O8 Ru3 C60 116.0(4) 2_665
C67 N12 Ru3 O8 166.2(5) 2_665
C67 N12 Ru3 O8 -13.8(5) .
C67 N12 Ru3 N12 -105(100) 2_665
C67 N12 Ru3 C60 74.4(5) .
C67 N12 Ru3 C60 -105.6(5) 2_665
N11 C60 Ru3 O8 113(8) 2_665
N11 C60 Ru3 O8 -67(8) .
N11 C60 Ru3 N12 26(8) 2_665
N11 C60 Ru3 N12 -154(8) .
N11 C60 Ru3 C60 -28(100) 2_665
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 0.022 0.500 0.500 1035 283 ' '
2 0.000 0.500 0.000 65 9 ' '
