#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/91/7219166.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_7219166
loop_
_publ_author_name
'Li, Shenshen'
'Chen, Yu-Sheng'
'Mulfort, Karen L.'
_publ_section_title
;
 Structural modification in bimetallic Ru(iii)--Co(ii) metal--organic
 frameworks
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1005
_journal_paper_doi               10.1039/C4CE02064B
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C30 H30 Co1.5 N3 O21 Ru3'
_chemical_formula_weight         1160.17
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-10-13 deposited with the CCDC.
2014-12-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.836(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.622(2)
_cell_length_b                   17.5525(16)
_cell_length_c                   16.4817(16)
_cell_measurement_temperature    296(2)
_cell_volume                     5846.1(10)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.959
_diffrn_radiation_wavelength     0.49594
_diffrn_reflns_av_R_equivalents  0.0971
_diffrn_reflns_av_unetI/netI     0.1444
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38871
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_theta_full        17.311
_diffrn_reflns_theta_max         22.483
_diffrn_reflns_theta_min         0.922
_exptl_absorpt_coefficient_mu    1.891
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.318
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       octahedral
_exptl_crystal_F_000             2286
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.030
_refine_diff_density_max         2.196
_refine_diff_density_min         -2.437
_refine_diff_density_rms         0.211
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         11080
_refine_ls_number_restraints     153
_refine_ls_restrained_S_all      0.975
_refine_ls_R_factor_all          0.1482
_refine_ls_R_factor_gt           0.0847
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1422P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2264
_refine_ls_wR_factor_ref         0.2506
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5413
_reflns_number_total             11080
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ce02064b2.cif
_cod_data_source_block           RuCo-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7219166--7219167.cif.
;
_cod_original_cell_volume        5846.0(10)
_cod_original_formula_sum        'C30 H30 Co1.50 N3 O21 Ru3'
_cod_database_code               7219166
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_platon_squeeze_void_probe_radius 1.20
_shelxl_version_number           2014-3
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.12320(2) 0.59465(2) -0.13291(3) 0.02804(14) Uani 1 1 d . . . . .
Ru2 Ru 0.20542(3) 0.5000 0.04730(4) 0.03050(18) Uani 1 2 d S T P . .
Co3 Co 0.5000 0.5000 0.5000 0.0266(4) Uani 1 4 d S T P . .
Co4 Co 0.39233(8) 0.5000 0.61678(9) 0.0518(4) Uani 1 2 d S T P . .
O1 O 0.2672(4) 0.5812(5) 0.0352(4) 0.088(2) Uani 1 1 d D U . . .
O2 O 0.2141(3) 0.6427(3) -0.0849(5) 0.0671(17) Uani 1 1 d D U . . .
O3 O 0.1466(4) 0.5627(4) -0.2361(4) 0.0714(17) Uani 1 1 d . U . . .
O4 O 0.0277(3) 0.5627(3) -0.1868(4) 0.0512(13) Uani 1 1 d . U . . .
O5 O 0.0985(3) 0.3566(3) -0.0375(3) 0.0479(13) Uani 1 1 d . . . . .
O6 O 0.1513(4) 0.4222(3) 0.0792(4) 0.082(3) Uani 1 1 d . . . . .
O7 O 0.4014(7) 0.5000 0.4942(9) 0.112(3) Uani 1 2 d S TU P A .
O8 O 0.3107(7) 0.5000 0.5030(9) 0.112(3) Uani 1 2 d DS TU P A 1
O8' O 0.3210(8) 0.4471(9) 0.4975(11) 0.091(5) Uani 0.5 1 d D U P A 2
O9 O 0.4382(6) 0.4073(6) 0.6469(6) 0.0484(11) Uani 0.5 1 d D U P A 2
O9' O 0.4810(6) 0.4401(6) 0.6877(6) 0.0484(11) Uani 0.5 1 d D . P A 1
O10 O 0.5244(3) 0.4151(3) 0.5931(3) 0.0484(11) Uani 1 1 d . . . . .
O11 O 0.3605(4) 0.5000 0.7198(4) 0.0459(17) Uani 1 2 d S T P A .
O12 O 0.1519(3) 0.5000 -0.0727(3) 0.0213(11) Uani 1 2 d S T P . .
N1 N 0.2620(5) 0.5000 0.1821(6) 0.058(3) Uani 1 2 d DS TU P . .
N2 N 0.5896(3) 0.1970(3) 0.8016(4) 0.0498(17) Uani 1 1 d D U . . .
C1 C 0.2629(4) 0.6315(5) -0.0191(6) 0.064(3) Uani 1 1 d D . . . .
C2 C 0.3198(5) 0.6843(6) -0.0066(8) 0.085(4) Uani 1 1 d D . . . .
H2A H 0.3108 0.7156 -0.0573 0.128 Uiso 1 1 calc R U . . .
H2B H 0.3592 0.6551 0.0024 0.128 Uiso 1 1 calc R U . . .
H2C H 0.3258 0.7160 0.0430 0.128 Uiso 1 1 calc R U . . .
C3 C 0.1522(5) 0.5000 -0.2672(5) 0.037(2) Uani 1 2 d S T P . .
C4 C 0.1727(8) 0.5000 -0.3444(8) 0.062(3) Uani 1 2 d S T P . .
H4A H 0.1650 0.4505 -0.3710 0.094 Uiso 0.5 1 d R U P . .
H4B H 0.2189 0.5121 -0.3268 0.094 Uiso 0.5 1 d R U P . .
H4C H 0.1474 0.5373 -0.3854 0.094 Uiso 0.5 1 d R U P . .
C5 C -0.0004(5) 0.5000 -0.2006(5) 0.038(2) Uani 1 2 d S T P . .
C6 C -0.0768(5) 0.5000 -0.2391(8) 0.066(4) Uani 1 2 d S T P . .
H6A H -0.0914 0.4730 -0.2933 0.099 Uiso 0.5 1 d R U P . .
H6B H -0.0926 0.5515 -0.2486 0.099 Uiso 0.5 1 d R U P . .
H6C H -0.0938 0.4755 -0.1993 0.099 Uiso 0.5 1 d R U P . .
C7 C 0.1133(3) 0.3724(4) 0.0407(4) 0.0323(13) Uani 1 1 d . . . . .
C8 C 0.0784(5) 0.3272(5) 0.0892(6) 0.056(2) Uani 1 1 d . . . . .
H8A H 0.1043 0.3278 0.1501 0.084 Uiso 1 1 calc R U . . .
H8B H 0.0728 0.2756 0.0686 0.084 Uiso 1 1 calc R U . . .
H8C H 0.0359 0.3494 0.0798 0.084 Uiso 1 1 calc R U . . .
C9 C 0.3044(7) 0.5512(7) 0.2229(9) 0.084(6) Uani 0.5 1 d D U P . .
H9A H 0.3161 0.5883 0.1908 0.101 Uiso 0.5 1 d R U P . .
C10 C 0.3337(7) 0.5493(7) 0.3133(9) 0.073(5) Uani 0.5 1 d D U P A .
H10A H 0.3654 0.5860 0.3407 0.087 Uiso 0.5 1 d R U P . .
C11 C 0.2445(6) 0.4384(7) 0.2307(8) 0.062(4) Uani 0.5 1 d D U P . .
H11A H 0.2131 0.4017 0.2028 0.074 Uiso 0.5 1 d R U P . .
C12 C 0.2737(7) 0.4371(7) 0.3206(8) 0.067(5) Uani 0.5 1 d D U P A .
H12A H 0.2628 0.4001 0.3536 0.081 Uiso 0.5 1 d R U P . .
C13 C 0.3211(6) 0.5000 0.3612(8) 0.075(4) Uani 1 2 d DS TU P . .
C14 C 0.3454(7) 0.5000 0.4557(7) 0.082(5) Uani 1 2 d DS TU P A .
C15 C 0.4980(6) 0.3918(6) 0.6447(7) 0.076(3) Uani 1 1 d D U . . .
C16 C 0.5346(5) 0.3253(5) 0.7017(6) 0.076(3) Uani 1 1 d D U . . .
C17 C 0.5900(6) 0.2916(6) 0.6971(7) 0.125(5) Uani 1 1 d D U . . .
H17 H 0.6096 0.3116 0.6598 0.150 Uiso 1 1 calc R U . . .
C18 C 0.6184(5) 0.2271(6) 0.7474(6) 0.102(4) Uani 1 1 d D U . . .
H18 H 0.6564 0.2051 0.7437 0.123 Uiso 1 1 calc R U . . .
C19 C 0.5354(3) 0.2304(3) 0.8053(4) 0.0405(15) Uani 1 1 d D U . . .
H19 H 0.5157 0.2097 0.8421 0.049 Uiso 1 1 calc R U . . .
C20 C 0.5071(4) 0.2935(4) 0.7579(4) 0.0456(17) Uani 1 1 d D U . . .
H20 H 0.4695 0.3150 0.7635 0.055 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0007 0.0007 '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 0.0018 0.0015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0039 0.0027 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.2730 0.5032 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.0682 2.9670 '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
O12 Ru1 O4 94.5(2) . .
O12 Ru1 O3 93.6(2) . .
O4 Ru1 O3 94.3(3) . .
O12 Ru1 O5 95.2(2) . 6_565
O4 Ru1 O5 87.0(2) . 6_565
O3 Ru1 O5 170.9(2) . 6_565
O12 Ru1 O2 93.9(2) . .
O4 Ru1 O2 171.4(2) . .
O3 Ru1 O2 86.9(3) . .
O5 Ru1 O2 90.5(3) 6_565 .
O12 Ru1 N2 178.5(2) . 3_454
O4 Ru1 N2 84.1(2) . 3_454
O3 Ru1 N2 87.1(2) . 3_454
O5 Ru1 N2 84.1(2) 6_565 3_454
O2 Ru1 N2 87.4(2) . 3_454
O12 Ru2 O6 94.4(2) . .
O12 Ru2 O6 94.4(2) . 6_565
O6 Ru2 O6 86.9(5) . 6_565
O12 Ru2 O1 94.4(2) . .
O6 Ru2 O1 171.0(2) . .
O6 Ru2 O1 90.8(4) 6_565 .
O12 Ru2 O1 94.4(2) . 6_565
O6 Ru2 O1 90.8(4) . 6_565
O6 Ru2 O1 171.0(2) 6_565 6_565
O1 Ru2 O1 90.2(6) . 6_565
O12 Ru2 N1 178.0(3) . .
O6 Ru2 N1 84.1(3) . .
O6 Ru2 N1 84.1(3) 6_565 .
O1 Ru2 N1 87.0(3) . .
O1 Ru2 N1 87.0(3) 6_565 .
O10 Co3 O10 92.2(3) . 6_565
O10 Co3 O10 87.8(3) . 2_656
O10 Co3 O10 180.0 6_565 2_656
O10 Co3 O10 180.00(18) . 5_666
O10 Co3 O10 87.8(3) 6_565 5_666
O10 Co3 O10 92.2(3) 2_656 5_666
O10 Co3 O7 88.8(3) . 5_666
O10 Co3 O7 88.8(3) 6_565 5_666
O10 Co3 O7 91.2(3) 2_656 5_666
O10 Co3 O7 91.2(3) 5_666 5_666
O10 Co3 O7 91.2(3) . .
O10 Co3 O7 91.2(3) 6_565 .
O10 Co3 O7 88.8(3) 2_656 .
O10 Co3 O7 88.8(3) 5_666 .
O7 Co3 O7 180.0 5_666 .
O9 Co4 O9 120.1(7) 6_565 .
O9 Co4 O11 94.7(3) 6_565 .
O9 Co4 O11 94.7(3) . .
O11 Co4 O8 108.8(4) . .
O9 Co4 O7 91.9(4) 6_565 .
O9 Co4 O7 91.9(4) . .
O11 Co4 O7 166.7(5) . .
O8 Co4 O7 57.9(5) . .
O11 Co4 O9' 92.7(3) . 6_565
O8 Co4 O9' 143.8(3) . 6_565
O7 Co4 O9' 98.9(4) . 6_565
O11 Co4 O9' 92.7(3) . .
O8 Co4 O9' 143.8(3) . .
O7 Co4 O9' 98.9(4) . .
O9' Co4 O9' 59.0(6) 6_565 .
O9 Co4 O8' 90.4(5) 6_565 6_565
O9 Co4 O8' 136.9(5) . 6_565
O11 Co4 O8' 113.7(4) . 6_565
O7 Co4 O8' 54.7(5) . 6_565
O9 Co4 O8' 136.9(5) 6_565 .
O9 Co4 O8' 90.4(6) . .
O11 Co4 O8' 113.7(4) . .
O7 Co4 O8' 54.7(5) . .
O8' Co4 O8' 49.3(8) 6_565 .
O9 Co4 C14 105.0(3) 6_565 .
O9 Co4 C14 105.0(3) . .
O11 Co4 C14 139.2(4) . .
O8 Co4 C14 30.4(4) . .
O7 Co4 C14 27.5(4) . .
O9' Co4 C14 122.1(4) 6_565 .
O9' Co4 C14 122.1(4) . .
O8' Co4 C14 33.2(4) 6_565 .
O8' Co4 C14 33.2(4) . .
C1 O1 Ru2 134.1(6) . .
C1 O2 Ru1 133.4(6) . .
C3 O3 Ru1 133.4(6) . .
C5 O4 Ru1 133.4(5) . .
C7 O5 Ru1 132.0(4) . 6_565
C7 O6 Ru2 135.2(5) . .
C14 O7 Co4 95.2(10) . .
C14 O7 Co3 151.4(12) . .
Co4 O7 Co3 113.4(6) . .
C14 O8 Co4 93.3(10) . .
C14 O8' Co4 83.8(9) . .
C15 O9 Co4 126.5(8) . .
C15 O9' Co4 114.5(8) . .
C15 O10 Co3 133.1(6) . .
Ru2 O12 Ru1 120.12(12) . .
Ru2 O12 Ru1 120.12(12) . 6_565
Ru1 O12 Ru1 119.7(2) . 6_565
C9 N1 C9 88.5(11) 6_565 .
C9 N1 C11 58.5(9) 6_565 .
C9 N1 C11 120.1(10) . .
C9 N1 C11 120.1(10) 6_565 6_565
C9 N1 C11 58.5(9) . 6_565
C11 N1 C11 94.4(10) . 6_565
C9 N1 Ru2 125.8(7) 6_565 .
C9 N1 Ru2 125.8(7) . .
C11 N1 Ru2 113.9(6) . .
C11 N1 Ru2 113.9(6) 6_565 .
C19 N2 C18 118.2(6) . .
C19 N2 Ru1 120.4(4) . 3_546
C18 N2 Ru1 121.0(6) . 3_546
O2 C1 O1 124.9(7) . .
O2 C1 C2 115.3(10) . .
O1 C1 C2 119.8(9) . .
O3 C3 O3 125.4(9) . 6_565
O3 C3 C4 117.2(5) . .
O3 C3 C4 117.2(5) 6_565 .
O4 C5 O4 125.5(10) . 6_565
O4 C5 C6 117.3(5) . .
O4 C5 C6 117.3(5) 6_565 .
O6 C7 O5 125.5(6) . .
O6 C7 C8 118.4(6) . .
O5 C7 C8 116.1(7) . .
N1 C9 C11 67.6(9) . 6_565
N1 C9 C10 120.6(12) . .
C11 C9 C10 89.3(8) 6_565 .
N1 C9 C9 45.8(5) . 6_565
C11 C9 C9 97.7(8) 6_565 6_565
C10 C9 C9 88.7(6) . 6_565
N1 C9 C12 96.7(9) . 6_565
C11 C9 C12 45.2(7) 6_565 6_565
C10 C9 C12 44.2(6) . 6_565
C9 C9 C12 96.0(5) 6_565 6_565
C13 C10 C12 69.0(10) . 6_565
C13 C10 C9 124.3(12) . .
C12 C10 C9 90.2(8) 6_565 .
C13 C10 C10 46.8(6) . 6_565
C12 C10 C10 100.1(8) 6_565 6_565
C9 C10 C10 91.3(6) . 6_565
C13 C10 C11 97.6(10) . 6_565
C12 C10 C11 45.8(7) 6_565 6_565
C9 C10 C11 44.5(6) . 6_565
C10 C10 C11 96.4(5) 6_565 6_565
C9 C11 C12 90.9(9) 6_565 .
C9 C11 N1 53.9(8) 6_565 .
C12 C11 N1 119.0(10) . .
C9 C11 C10 46.2(7) 6_565 6_565
C12 C11 C10 44.8(7) . 6_565
N1 C11 C10 85.2(8) . 6_565
C10 C12 C11 89.4(9) 6_565 .
C10 C12 C13 52.3(8) 6_565 .
C11 C12 C13 116.4(10) . .
C10 C12 C9 45.6(7) 6_565 6_565
C11 C12 C9 43.9(6) . 6_565
C13 C12 C9 85.0(8) . 6_565
C10 C13 C10 86.4(12) 6_565 .
C10 C13 C14 126.2(9) 6_565 .
C10 C13 C14 126.2(9) . .
C10 C13 C12 119.6(11) 6_565 6_565
C10 C13 C12 58.7(9) . 6_565
C14 C13 C12 114.1(8) . 6_565
C10 C13 C12 58.7(9) 6_565 .
C10 C13 C12 119.5(11) . .
C14 C13 C12 114.1(8) . .
C12 C13 C12 95.5(11) 6_565 .
O7 C14 O8 113.6(13) . .
O7 C14 O8' 103.9(11) . .
O7 C14 O8' 103.9(11) . 6_565
O8' C14 O8' 85.4(15) . 6_565
O7 C14 C13 119.9(12) . .
O8 C14 C13 126.5(14) . .
O8' C14 C13 118.8(11) . .
O8' C14 C13 118.8(11) 6_565 .
O7 C14 Co4 57.3(9) . .
O8 C14 Co4 56.2(8) . .
O8' C14 Co4 63.0(8) . .
O8' C14 Co4 63.0(8) 6_565 .
C13 C14 Co4 177.2(10) . .
O9' C15 O10 117.7(10) . .
O10 C15 O9 129.3(9) . .
O9' C15 C16 111.3(9) . .
O10 C15 C16 114.0(8) . .
O9 C15 C16 115.6(9) . .
C17 C16 C20 117.2(8) . .
C17 C16 C15 124.7(9) . .
C20 C16 C15 117.9(8) . .
C16 C17 C18 121.6(10) . .
N2 C18 C17 119.5(9) . .
N2 C19 C20 123.7(6) . .
C19 C20 C16 119.8(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O12 1.921(2) .
Ru1 O4 2.016(5) .
Ru1 O3 2.018(6) .
Ru1 O5 2.022(5) 6_565
Ru1 O2 2.024(6) .
Ru1 N2 2.088(5) 3_454
Ru2 O12 1.904(5) .
Ru2 O6 1.987(6) .
Ru2 O6 1.987(6) 6_565
Ru2 O1 2.011(7) .
Ru2 O1 2.011(7) 6_565
Ru2 N1 2.122(9) .
Co3 O10 2.067(4) .
Co3 O10 2.067(4) 6_565
Co3 O10 2.067(4) 2_656
Co3 O10 2.067(4) 5_666
Co3 O7 2.099(15) 5_666
Co3 O7 2.099(15) .
Co4 O9 1.878(10) 6_565
Co4 O9 1.878(9) .
Co4 O11 2.046(7) .
Co4 O8 2.068(14) .
Co4 O7 2.098(14) .
Co4 O9' 2.133(11) 6_565
Co4 O9' 2.133(11) .
Co4 O8' 2.224(17) 6_565
Co4 O8' 2.224(17) .
Co4 C14 2.482(12) .
O1 C1 1.237(10) .
O2 C1 1.230(10) .
O3 C3 1.239(8) .
O4 C5 1.238(7) .
O5 C7 1.244(8) .
O5 Ru1 2.022(5) 6_565
O6 C7 1.212(9) .
O7 C14 1.151(17) .
O8 C14 1.259(14) .
O8' C14 1.368(14) .
O9 C15 1.335(13) .
O9' C15 1.242(11) .
O10 C15 1.249(11) .
O12 Ru1 1.921(2) 6_565
N1 C9 1.288(13) 6_565
N1 C9 1.288(13) .
N1 C11 1.473(13) .
N1 C11 1.473(13) 6_565
N2 C19 1.330(8) .
N2 C18 1.364(10) .
N2 Ru1 2.088(5) 3_546
C1 C2 1.494(10) .
C3 O3 1.239(8) 6_565
C3 C4 1.489(15) .
C5 O4 1.238(7) 6_565
C5 C6 1.544(15) .
C7 C8 1.506(10) .
C9 C11 1.358(18) 6_565
C9 C10 1.397(14) .
C9 C9 1.80(3) 6_565
C9 C12 1.957(19) 6_565
C10 C13 1.265(13) .
C10 C12 1.365(18) 6_565
C10 C10 1.73(2) 6_565
C10 C11 1.937(18) 6_565
C11 C9 1.358(18) 6_565
C11 C12 1.388(14) .
C11 C10 1.937(18) 6_565
C12 C10 1.365(18) 6_565
C12 C13 1.493(13) .
C12 C9 1.957(19) 6_565
C13 C10 1.265(13) 6_565
C13 C14 1.456(16) .
C13 C12 1.493(13) 6_565
C14 O8' 1.368(14) 6_565
C15 C16 1.531(13) .
C16 C17 1.363(12) .
C16 C20 1.384(10) .
C17 C18 1.408(12) .
C19 C20 1.367(8) .
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 -0.015 -0.009 -0.026 2408 1008 ' '
2 0.500 0.000 0.000 18 5 ' '
3 0.000 0.500 0.000 18 5 ' '
