#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:46:24 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281604 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/61/7246149.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_7246149
loop_
_publ_author_name
'Koyama, Shohei'
'Sato, Kazunobu'
'Yamashita, Masahiro'
'Sakamoto, Ryota'
'Iguchi, Hiroaki'
_publ_section_title
;
 Observation of slow magnetic relaxation phenomena in spatially isolated
 π-radical ions.
;
_journal_issue                   7
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              5459
_journal_page_last               5467
_journal_paper_doi               10.1039/d2cp06026d
_journal_volume                  25
_journal_year                    2023
_chemical_formula_moiety         'C20 H30 Co, C36 H27 N3 O6'
_chemical_formula_sum            'C56 H57 Co N3 O6'
_chemical_formula_weight         926.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-07-01
_audit_creation_method
;
Olex2 1.3-ac4
(compiled 2019.04.23 svn.r3594 for Rigaku Oxford Diffraction, GUI svn.r5739)
;
_audit_update_record
;
2022-09-07 deposited with the CCDC.	2023-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.711(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.8607(12)
_cell_length_b                   18.4970(7)
_cell_length_c                   12.9906(6)
_cell_measurement_reflns_used    8924
_cell_measurement_temperature    120
_cell_measurement_theta_max      31.2040
_cell_measurement_theta_min      3.4780
_cell_volume                     4655.3(4)
_computing_cell_refinement       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.61a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      120
_diffrn_detector                 'Rigaku HyPix-6000 area detector'
_diffrn_detector_area_resol_mean 10.0
_diffrn_detector_type            'HPC area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.862
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -10.00  16.00   0.50   82.85    --   -0.90  45.00 150.00   52
  2  ω    -48.00 -15.00   0.50   82.85    --   -0.90  45.00  30.00   66
  3  ω    -86.00  88.00   0.50   82.85    --   -0.90  45.00  60.00  348
  4  ω      7.00  19.50   0.50   82.85    --   -0.90  45.00   0.00   25
;
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC HyPix-6000'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0103322000
_diffrn_orient_matrix_UB_12      -0.0229668000
_diffrn_orient_matrix_UB_13      -0.0443803000
_diffrn_orient_matrix_UB_21      -0.0142794000
_diffrn_orient_matrix_UB_22      0.0301026000
_diffrn_orient_matrix_UB_23      -0.0310282000
_diffrn_orient_matrix_UB_31      0.0320809000
_diffrn_orient_matrix_UB_32      0.0062528000
_diffrn_orient_matrix_UB_33      -0.0140495000
_diffrn_radiation_monochromator  'multi-layer mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.862
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            27034
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.862
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.860
_diffrn_reflns_theta_min         2.727
_diffrn_source                   'rotating anode X-ray generator'
_diffrn_source_type              micromax007
_exptl_absorpt_coefficient_mu    0.425
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68416
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark green'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.323
_exptl_crystal_description       block
_exptl_crystal_F_000             1956
_exptl_crystal_preparation       'Magnetic properties'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.058
_refine_diff_density_min         -0.302
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         6898
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.1058
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1078P)²+6.6498P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1875
_refine_ls_wR_factor_ref         0.2108
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4835
_reflns_number_total             6898
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cp06026d2.cif
_cod_data_source_block           220630codmcp2bti-xy
_cod_depositor_comments
'Adding full bibliography for 7246148--7246150.cif.'
_cod_database_code               7246149
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         CHNOCo
_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.
;
_shelx_estimated_absorpt_t_max   0.939
_shelx_estimated_absorpt_t_min   0.848
_diffrn_oxdiff_digest_frames
;
01f62ce7f4df29321e342bc565ccb2a64f000251e1f
;
_diffrn_oxdiff_digest_hkl
;
01c58cb6abc69875f1395fb79635017810b284
;
_reflns_odcompleteness_completeness 99.14
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00L(H00L), C00N(H00N), C00R(H00R), C00T(H00T), C00X(H00X)
2.b Idealised Me refined as rotating group:
 C00H(H00A,H00B,H00C), C00I(H00J,H00K,H00M), C00Q(H00D,H00E,H00F), C00U(H00G,
 H00H,H00I), C00V(H00O,H00P,H00Q), C00W(H00S,H00U,H00V), C00Y(H00W,H00Y,H),
 C00Z(H00Z,HA,HB)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.436
_oxdiff_exptl_absorpt_empirical_full_min 0.775
loop_
_space_group_symop_operation_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_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
Co01 Co 0.750000 0.750000 0.500000 0.03428(16) Uani 1 2 d S T P . .
O002 O 0.41834(11) 0.59444(10) 0.59398(15) 0.0464(5) Uani 1 1 d . . . . .
N003 N 0.500000 0.57810(16) 0.750000 0.0378(6) Uani 1 2 d S T P . .
O004 O 0.38119(13) 0.73775(11) 0.47459(17) 0.0499(5) Uani 1 1 d . . . . .
O005 O 0.44133(14) 0.95129(11) 0.64875(19) 0.0589(6) Uani 1 1 d . . . . .
N006 N 0.39897(13) 0.85308(12) 0.54395(19) 0.0444(5) Uani 1 1 d . . . . .
C007 C 0.45844(14) 0.61978(13) 0.6686(2) 0.0377(5) Uani 1 1 d . . . . .
C008 C 0.35941(16) 0.89176(14) 0.4551(2) 0.0448(6) Uani 1 1 d . . . . .
C009 C 0.28834(17) 0.89713(14) 0.4428(2) 0.0459(6) Uani 1 1 d . . . . .
C00A C 0.40689(15) 0.77740(14) 0.5468(2) 0.0416(6) Uani 1 1 d . . . . .
C00B C 0.500000 0.50049(19) 0.750000 0.0419(8) Uani 1 2 d S T P . .
C00C C 0.45317(14) 0.76085(13) 0.6512(2) 0.0380(5) Uani 1 1 d . . . . .
C00D C 0.47577(13) 0.69511(13) 0.7001(2) 0.0363(5) Uani 1 1 d . . . . .
C00E C 0.47605(15) 0.82724(13) 0.7010(2) 0.0413(6) Uani 1 1 d . . . . .
C00F C 0.71323(15) 0.64621(14) 0.5088(2) 0.0406(6) Uani 1 1 d . . . . .
C00G C 0.78700(17) 0.64825(15) 0.5441(2) 0.0486(7) Uani 1 1 d . . . . .
C00H C 0.25306(16) 0.86607(19) 0.5248(3) 0.0544(8) Uani 1 1 d . . . . .
H00A H 0.261103 0.813797 0.530309 0.082 Uiso 1 1 calc GR . . . .
H00B H 0.203358 0.875472 0.503982 0.082 Uiso 1 1 calc GR . . . .
H00C H 0.271842 0.888786 0.593241 0.082 Uiso 1 1 calc GR . . . .
C00I C 0.67352(16) 0.59924(15) 0.4227(2) 0.0478(6) Uani 1 1 d . . . . .
H00J H 0.628559 0.621371 0.393407 0.072 Uiso 1 1 calc GR . . . .
H00K H 0.666647 0.551497 0.451507 0.072 Uiso 1 1 calc GR . . . .
H00M H 0.699331 0.594068 0.366973 0.072 Uiso 1 1 calc GR . . . .
C00J C 0.39378(19) 0.92265(16) 0.3824(3) 0.0557(8) Uani 1 1 d . . . . .
C00K C 0.43989(17) 0.88638(14) 0.6341(2) 0.0475(7) Uani 1 1 d . . . . .
C00L C 0.2499(2) 0.93207(16) 0.3530(3) 0.0556(8) Uani 1 1 d . . . . .
H00L H 0.201023 0.934753 0.342158 0.067 Uiso 1 1 calc R . . . .
C00M C 0.46364(16) 0.46471(15) 0.8154(2) 0.0499(7) Uani 1 1 d . . . . .
C00N C 0.3537(3) 0.95899(17) 0.2953(3) 0.0687(11) Uani 1 1 d . . . . .
H00N H 0.375721 0.981511 0.245839 0.082 Uiso 1 1 calc R . . . .
C00O C 0.8035(2) 0.69751(16) 0.6315(2) 0.0637(10) Uani 1 1 d . . . . .
C00P C 0.6853(2) 0.69469(16) 0.5746(3) 0.0587(9) Uani 1 1 d . . . . .
C00Q C 0.4709(2) 0.9145(2) 0.3981(4) 0.0731(11) Uani 1 1 d . . . . .
H00D H 0.493602 0.937437 0.464692 0.110 Uiso 1 1 calc GR . . . .
H00E H 0.486288 0.937841 0.339525 0.110 Uiso 1 1 calc GR . . . .
H00F H 0.482823 0.863084 0.400159 0.110 Uiso 1 1 calc GR . . . .
C00R C 0.2829(2) 0.96259(17) 0.2804(3) 0.0665(10) Uani 1 1 d . . . . .
H00R H 0.256570 0.986197 0.219823 0.080 Uiso 1 1 calc R . . . .
C00S C 0.7414(2) 0.72524(17) 0.6500(2) 0.0658(11) Uani 1 1 d . . . . .
C00T C 0.46502(19) 0.38928(17) 0.8158(3) 0.0668(11) Uani 1 1 d . . . . .
H00T H 0.442154 0.362924 0.860804 0.080 Uiso 1 1 calc R . . . .
C00U C 0.42388(18) 0.50571(19) 0.8826(3) 0.0570(8) Uani 1 1 d . . . . .
H00G H 0.455621 0.536266 0.932734 0.086 Uiso 1 1 calc GR . . . .
H00H H 0.401077 0.471477 0.921370 0.086 Uiso 1 1 calc GR . . . .
H00I H 0.389049 0.536105 0.837409 0.086 Uiso 1 1 calc GR . . . .
C00V C 0.83742(19) 0.60428(18) 0.4991(4) 0.0714(11) Uani 1 1 d . . . . .
H00O H 0.817962 0.594588 0.424306 0.107 Uiso 1 1 calc GR . . . .
H00P H 0.846428 0.558417 0.537426 0.107 Uiso 1 1 calc GR . . . .
H00Q H 0.880699 0.631206 0.506267 0.107 Uiso 1 1 calc GR . . . .
C00W C 0.6104(3) 0.7067(2) 0.5688(5) 0.103(2) Uani 1 1 d . . . . .
H00S H 0.603073 0.756374 0.590188 0.154 Uiso 1 1 calc GR . . . .
H00U H 0.594226 0.672779 0.616097 0.154 Uiso 1 1 calc GR . . . .
H00V H 0.584480 0.698815 0.496239 0.154 Uiso 1 1 calc GR . . . .
C00X C 0.500000 0.3530(2) 0.750000 0.0778(19) Uani 1 2 d S T P . .
H00X H 0.499999 0.301686 0.750001 0.093 Uiso 1 2 calc RS T P . .
C00Y C 0.7349(4) 0.7760(3) 0.7384(3) 0.109(2) Uani 1 1 d . . . . .
H00W H 0.775760 0.807152 0.755498 0.164 Uiso 1 1 calc GR . . . .
H00Y H 0.731326 0.747794 0.800896 0.164 Uiso 1 1 calc GR . . . .
H H 0.693530 0.805848 0.716307 0.164 Uiso 1 1 calc GR . . . .
C00Z C 0.8755(3) 0.7150(2) 0.6927(4) 0.111(2) Uani 1 1 d . . . . .
H00Z H 0.903401 0.670763 0.702762 0.167 Uiso 1 1 calc GR . . . .
HA H 0.873244 0.735108 0.761606 0.167 Uiso 1 1 calc GR . . . .
HB H 0.896670 0.750390 0.653374 0.167 Uiso 1 1 calc GR . . . .
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'
Co Co 0.3494 0.9721 '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'
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
_geom_angle_publ_flag
C00F Co01 C00F 180.0 . 7_666 ?
C00G Co01 C00F 139.21(13) 7_666 . ?
C00G Co01 C00F 40.79(12) 7_666 7_666 ?
C00G Co01 C00F 139.21(13) . 7_666 ?
C00G Co01 C00F 40.79(12) . . ?
C00G Co01 C00G 180.00(18) . 7_666 ?
C00O Co01 C00F 111.20(12) 7_666 . ?
C00O Co01 C00F 68.80(12) . . ?
C00O Co01 C00F 68.80(12) 7_666 7_666 ?
C00O Co01 C00F 111.20(12) . 7_666 ?
C00O Co01 C00G 139.02(12) 7_666 . ?
C00O Co01 C00G 40.98(12) . . ?
C00O Co01 C00G 139.02(12) . 7_666 ?
C00O Co01 C00G 40.98(12) 7_666 7_666 ?
C00O Co01 C00O 180.0 . 7_666 ?
C00P Co01 C00F 40.78(10) 7_666 7_666 ?
C00P Co01 C00F 139.22(10) . 7_666 ?
C00P Co01 C00F 40.78(10) . . ?
C00P Co01 C00F 139.22(10) 7_666 . ?
C00P Co01 C00G 111.51(14) 7_666 . ?
C00P Co01 C00G 68.50(14) 7_666 7_666 ?
C00P Co01 C00G 111.50(14) . 7_666 ?
C00P Co01 C00G 68.49(14) . . ?
C00P Co01 C00O 68.45(17) . . ?
C00P Co01 C00O 111.55(17) . 7_666 ?
C00P Co01 C00O 68.45(17) 7_666 7_666 ?
C00P Co01 C00O 111.55(17) 7_666 . ?
C00P Co01 C00P 180.0 . 7_666 ?
C00S Co01 C00F 111.43(11) . 7_666 ?
C00S Co01 C00F 68.58(11) 7_666 7_666 ?
C00S Co01 C00F 68.57(11) . . ?
C00S Co01 C00F 111.42(11) 7_666 . ?
C00S Co01 C00G 111.77(14) . 7_666 ?
C00S Co01 C00G 111.77(14) 7_666 . ?
C00S Co01 C00G 68.23(14) . . ?
C00S Co01 C00G 68.23(14) 7_666 7_666 ?
C00S Co01 C00O 40.18(17) . . ?
C00S Co01 C00O 139.82(17) 7_666 . ?
C00S Co01 C00O 139.82(17) . 7_666 ?
C00S Co01 C00O 40.18(17) 7_666 7_666 ?
C00S Co01 C00P 40.86(16) 7_666 7_666 ?
C00S Co01 C00P 139.14(16) 7_666 . ?
C00S Co01 C00P 139.14(16) . 7_666 ?
C00S Co01 C00P 40.85(16) . . ?
C00S Co01 C00S 180.0 . 7_666 ?
C007 N003 C007 114.1(3) 2_656 . ?
C007 N003 C00B 122.95(14) 2_656 . ?
C007 N003 C00B 122.95(14) . . ?
C00A N006 C008 123.7(2) . . ?
C00A N006 C00K 111.8(2) . . ?
C00K N006 C008 124.2(2) . . ?
O002 C007 N003 124.1(2) . . ?
O002 C007 C00D 131.6(2) . . ?
N003 C007 C00D 104.2(2) . . ?
C009 C008 N006 119.4(2) . . ?
C009 C008 C00J 121.7(3) . . ?
C00J C008 N006 118.9(3) . . ?
C008 C009 C00H 120.6(3) . . ?
C008 C009 C00L 118.8(3) . . ?
C00L C009 C00H 120.6(3) . . ?
O004 C00A N006 123.7(3) . . ?
O004 C00A C00C 130.5(2) . . ?
N006 C00A C00C 105.7(2) . . ?
C00M C00B N003 118.27(18) . . ?
C00M C00B N003 118.27(18) 2_656 . ?
C00M C00B C00M 123.5(4) . 2_656 ?
C00D C00C C00A 131.5(2) . . ?
C00D C00C C00E 120.5(3) . . ?
C00E C00C C00A 108.0(2) . . ?
C00C C00D C007 131.6(3) . . ?
C00C C00D C00D 119.66(16) . 2_656 ?
C00D C00D C007 108.71(15) 2_656 . ?
C00C C00E C00K 107.9(3) . . ?
C00E C00E C00C 119.80(16) 2_656 . ?
C00E C00E C00K 132.27(17) 2_656 . ?
C00G C00F Co01 69.22(15) . . ?
C00G C00F C00I 126.0(2) . . ?
C00I C00F Co01 129.29(19) . . ?
C00P C00F Co01 68.87(15) . . ?
C00P C00F C00G 107.1(3) . . ?
C00P C00F C00I 126.8(3) . . ?
C00F C00G Co01 70.00(15) . . ?
C00F C00G C00V 125.5(3) . . ?
C00O C00G Co01 69.21(17) . . ?
C00O C00G C00F 108.0(3) . . ?
C00O C00G C00V 126.4(3) . . ?
C00V C00G Co01 127.9(3) . . ?
C008 C00J C00Q 119.9(3) . . ?
C00N C00J C008 117.6(3) . . ?
C00N C00J C00Q 122.4(3) . . ?
O005 C00K N006 123.4(3) . . ?
O005 C00K C00E 130.3(3) . . ?
N006 C00K C00E 106.3(2) . . ?
C00R C00L C009 120.1(4) . . ?
C00B C00M C00U 121.4(3) . . ?
C00T C00M C00B 117.6(4) . . ?
C00T C00M C00U 121.0(3) . . ?
C00R C00N C00J 121.1(3) . . ?
C00G C00O Co01 69.81(17) . . ?
C00G C00O C00Z 125.3(4) . . ?
C00S C00O Co01 69.83(19) . . ?
C00S C00O C00G 108.1(3) . . ?
C00S C00O C00Z 126.7(4) . . ?
C00Z C00O Co01 126.5(3) . . ?
C00F C00P Co01 70.35(15) . . ?
C00F C00P C00W 125.2(4) . . ?
C00S C00P Co01 69.55(17) . . ?
C00S C00P C00F 108.1(3) . . ?
C00S C00P C00W 126.6(3) . . ?
C00W C00P Co01 128.7(3) . . ?
C00N C00R C00L 120.5(3) . . ?
C00O C00S Co01 69.99(18) . . ?
C00O C00S C00P 108.7(3) . . ?
C00O C00S C00Y 125.6(4) . . ?
C00P C00S Co01 69.60(17) . . ?
C00P C00S C00Y 125.7(4) . . ?
C00Y C00S Co01 128.6(3) . . ?
C00X C00T C00M 119.5(4) . . ?
C00T C00X C00T 122.2(4) . 2_656 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co01 C00F 2.066(3) . ?
Co01 C00F 2.066(3) 7_666 ?
Co01 C00G 2.055(3) . ?
Co01 C00G 2.056(3) 7_666 ?
Co01 C00O 2.048(3) . ?
Co01 C00O 2.048(3) 7_666 ?
Co01 C00P 2.046(3) . ?
Co01 C00P 2.046(3) 7_666 ?
Co01 C00S 2.045(3) 7_666 ?
Co01 C00S 2.045(3) . ?
O002 C007 1.206(3) . ?
N003 C007 1.417(3) . ?
N003 C007 1.417(3) 2_656 ?
N003 C00B 1.436(4) . ?
O004 C00A 1.212(4) . ?
O005 C00K 1.215(3) . ?
N006 C008 1.436(4) . ?
N006 C00A 1.408(3) . ?
N006 C00K 1.412(4) . ?
C007 C00D 1.471(3) . ?
C008 C009 1.389(4) . ?
C008 C00J 1.403(4) . ?
C009 C00H 1.511(4) . ?
C009 C00L 1.404(4) . ?
C00A C00C 1.493(4) . ?
C00B C00M 1.397(4) . ?
C00B C00M 1.397(4) 2_656 ?
C00C C00D 1.399(3) . ?
C00C C00E 1.415(4) . ?
C00D C00D 1.434(5) 2_656 ?
C00E C00E 1.412(6) 2_656 ?
C00E C00K 1.481(4) . ?
C00F C00G 1.436(5) . ?
C00F C00I 1.496(4) . ?
C00F C00P 1.433(4) . ?
C00G C00O 1.436(4) . ?
C00G C00V 1.505(5) . ?
C00J C00N 1.403(5) . ?
C00J C00Q 1.507(5) . ?
C00L C00R 1.382(5) . ?
C00M C00T 1.396(4) . ?
C00M C00U 1.504(5) . ?
C00N C00R 1.379(6) . ?
C00O C00S 1.406(6) . ?
C00O C00Z 1.510(6) . ?
C00P C00S 1.428(6) . ?
C00P C00W 1.490(6) . ?
C00S C00Y 1.510(5) . ?
C00T C00X 1.387(5) . ?
