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#$Date: 2022-07-05 11:00:25 +0300 (Tue, 05 Jul 2022) $
#$Revision: 276561 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/56/8105652.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_8105652
loop_
_publ_author_name
'Yang, Yu-Hua'
'Wei, Zhi-Li'
'Li, Yi-Zheng'
'Zhao, Ji-Xing'
'Dong, Wen-Kui'
_publ_section_title
;
 Synthesis and crystal structure of
 bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl)
 phenolato-κ2 N,O}cobalt(II) --- ethanol (1/1), C34H36CoN4O5
;
_journal_issue                   3
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              379
_journal_page_last               381
_journal_paper_doi               10.1515/ncrs-2017-0413
_journal_volume                  234
_journal_year                    2019
_chemical_formula_moiety         'C32 H30 Co N4 O4, C2 H6 O'
_chemical_formula_sum            'C34 H36 Co N4 O5'
_chemical_formula_weight         639.60
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                99.054(2)
_cell_angle_beta                 95.727(2)
_cell_angle_gamma                92.477(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7040(5)
_cell_length_b                   12.7375(9)
_cell_length_c                   14.2626(9)
_cell_measurement_reflns_used    3535
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.35
_cell_volume                     1550.96(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXS-1997 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_unetI/netI     0.0699
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9989
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.500
_diffrn_reflns_theta_min         2.348
_exptl_absorpt_coefficient_mu    0.601
_exptl_crystal_density_diffrn    1.370
_exptl_crystal_description
;
;
_exptl_crystal_F_000             670
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.656
_refine_diff_density_min         -0.367
_refine_diff_density_rms         0.067
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         6366
_refine_ls_number_restraints     28
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0554
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0504P)²+1.5733P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1211
_refine_ls_wR_factor_ref         0.1369
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4614
_reflns_number_total             6366
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_ncrs-2017-0413_suppl.cif
_cod_data_source_block           1
_cod_database_code               8105652
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O5A-C33
 1.43 with sigma of 0.01
 O5-C33
 1.43 with sigma of 0.01
 C33-C34A
 1.54 with sigma of 0.01
 C33-C34
 1.54 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(O5A) \\sim Ueq, Uanis(O5) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C34A)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Sof(H33C)=Sof(H33D)=Sof(C34A)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(O5A)=
 Sof(H5AA)=1-FVAR(1)
 Sof(H33B)=Sof(H33A)=Sof(O5)=Sof(H5A)=Sof(C34)=Sof(H34D)=Sof(H34E)=Sof(H34F)=
 FVAR(1)
5.a Secondary CH2 refined with riding coordinates:
 C33(H33B,H33A), C33(H33C,H33D)
5.b Aromatic/amide H refined with riding coordinates:
 C23(H23), C7(H7), C29(H29), C10(H10), C2(H2), C25(H25), C3(H3), C9(H9),
 C28(H28), C21(H21), C26(H26), C18(H18), C19(H19), C20(H20), C5(H5), 
C4(H4),C13(H13), C12(H12)
5.c Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C32(H32A,H32B,H32C), C15(H15A,H15B,H15C), 
C16(H16A,H16B,H16C), C34A(H34A,H34B,H34C), C34(H34D,H34E,H34F)
5.d Idealised tetrahedral OH refined as rotating group:
 O5(H5A), O5A(H5AA)
;
loop_
_space_group_symop_operation_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_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
Co1 Co 0.85818(5) 0.47804(4) 0.29908(3) 0.02922(14) Uani 1 1 d . . . . .
O3 O 1.0626(3) 0.52369(19) 0.27987(16) 0.0392(6) Uani 1 1 d . . . . .
O1 O 0.7061(3) 0.58043(18) 0.31753(15) 0.0393(6) Uani 1 1 d . . . . .
O4 O 1.3037(3) -0.04295(19) 0.57759(16) 0.0417(6) Uani 1 1 d . . . . .
N1 N 0.8463(3) 0.4229(2) 0.42139(17) 0.0271(6) Uani 1 1 d . . . . .
N3 N 0.8172(3) 0.3771(2) 0.17564(18) 0.0299(6) Uani 1 1 d . . . . .
O2 O 0.1876(3) -0.0786(2) 0.1251(2) 0.0546(7) Uani 1 1 d . . . . .
N2 N 1.2128(3) 0.0449(2) 0.56962(19) 0.0326(7) Uani 1 1 d . . . . .
C23 C 0.9133(4) 0.3742(3) 0.1112(2) 0.0326(8) Uani 1 1 d . . . . .
H23 H 0.884471 0.327719 0.054433 0.039 Uiso 1 1 calc R . . . .
N4 N 0.3205(4) -0.0102(2) 0.1339(2) 0.0445(8) Uani 1 1 d . . . . .
C11 C 1.0983(4) 0.1532(2) 0.4678(2) 0.0286(7) Uani 1 1 d . . . . .
C8 C 0.9267(4) 0.3316(3) 0.4411(2) 0.0290(7) Uani 1 1 d . . . . .
C24 C 0.6848(4) 0.3044(3) 0.1574(2) 0.0311(8) Uani 1 1 d . . . . .
C14 C 1.1919(4) 0.0616(3) 0.4834(2) 0.0300(7) Uani 1 1 d . . . . .
C22 C 1.0573(4) 0.4337(3) 0.1169(2) 0.0326(8) Uani 1 1 d . . . . .
C27 C 0.4207(4) 0.1628(3) 0.1336(2) 0.0329(8) Uani 1 1 d . . . . .
C7 C 0.7738(4) 0.4757(3) 0.4881(2) 0.0344(8) Uani 1 1 d . . . . .
H7 H 0.781051 0.451299 0.546403 0.041 Uiso 1 1 calc R . . . .
C17 C 1.1256(4) 0.5057(2) 0.1994(2) 0.0321(8) Uani 1 1 d . . . . .
C29 C 0.5443(4) 0.3393(3) 0.1852(2) 0.0351(8) Uani 1 1 d . . . . .
H29 H 0.537704 0.409929 0.212698 0.042 Uiso 1 1 calc R . . . .
C6 C 0.6842(4) 0.5674(3) 0.4819(2) 0.0326(8) Uani 1 1 d . . . . .
C10 C 1.0239(4) 0.2088(3) 0.5409(2) 0.0345(8) Uani 1 1 d . . . . .
H10 H 1.031406 0.186811 0.600282 0.041 Uiso 1 1 calc R . . . .
C30 C 0.2862(4) 0.0860(3) 0.1260(2) 0.0381(8) Uani 1 1 d . . . . .
C2 C 0.5574(4) 0.7019(3) 0.4060(3) 0.0362(8) Uani 1 1 d . . . . .
H2 H 0.535237 0.734208 0.352510 0.043 Uiso 1 1 calc R . . . .
C1 C 0.6527(4) 0.6144(3) 0.4001(2) 0.0312(7) Uani 1 1 d . . . . .
C25 C 0.6911(4) 0.1977(3) 0.1164(2) 0.0353(8) Uani 1 1 d . . . . .
H25 H 0.783501 0.172962 0.096538 0.042 Uiso 1 1 calc R . . . .
C3 C 0.4970(4) 0.7399(3) 0.4891(3) 0.0384(9) Uani 1 1 d . . . . .
H3 H 0.433970 0.797161 0.490964 0.046 Uiso 1 1 calc R . . . .
C9 C 0.9396(4) 0.2954(3) 0.5275(2) 0.0311(7) Uani 1 1 d . . . . .
H9 H 0.890606 0.330036 0.577633 0.037 Uiso 1 1 calc R . . . .
C28 C 0.4151(4) 0.2704(3) 0.1723(2) 0.0371(8) Uani 1 1 d . . . . .
H28 H 0.321789 0.295916 0.189674 0.044 Uiso 1 1 calc R . . . .
C21 C 1.1375(4) 0.4202(3) 0.0344(2) 0.0414(9) Uani 1 1 d . . . . .
H21 H 1.095097 0.372634 -0.019057 0.050 Uiso 1 1 calc R . . . .
C26 C 0.5622(4) 0.1290(3) 0.1051(2) 0.0387(9) Uani 1 1 d . . . . .
H26 H 0.569066 0.058350 0.077811 0.046 Uiso 1 1 calc R . . . .
C18 C 1.2677(4) 0.5598(3) 0.1934(3) 0.0421(9) Uani 1 1 d . . . . .
H18 H 1.314275 0.606453 0.246365 0.051 Uiso 1 1 calc R . . . .
C31 C 0.1227(4) 0.1191(3) 0.1121(3) 0.0473(10) Uani 1 1 d . . . . .
H31A H 0.074880 0.085840 0.050407 0.071 Uiso 1 1 calc GR . . . .
H31B H 0.123490 0.195101 0.116321 0.071 Uiso 1 1 calc GR . . . .
H31C H 0.065541 0.097529 0.160733 0.071 Uiso 1 1 calc GR . . . .
C19 C 1.3393(5) 0.5452(3) 0.1110(3) 0.0467(10) Uani 1 1 d . . . . .
H19 H 1.432399 0.582969 0.108843 0.056 Uiso 1 1 calc R . . . .
C20 C 1.2746(5) 0.4747(3) 0.0308(3) 0.0485(11) Uani 1 1 d . . . . .
H20 H 1.324167 0.464805 -0.024454 0.058 Uiso 1 1 calc R . . . .
C5 C 0.6202(4) 0.6089(3) 0.5664(3) 0.0449(10) Uani 1 1 d . . . . .
H5 H 0.640487 0.577739 0.620699 0.054 Uiso 1 1 calc R . . . .
C4 C 0.5287(4) 0.6943(3) 0.5699(3) 0.0455(10) Uani 1 1 d . . . . .
H4 H 0.488514 0.721113 0.626264 0.055 Uiso 1 1 calc R . . . .
C13 C 1.0008(5) 0.2771(3) 0.3682(3) 0.0577(13) Uani 1 1 d . . . . .
H13 H 0.993885 0.299300 0.308895 0.069 Uiso 1 1 calc R . . . .
C12 C 1.0849(5) 0.1903(3) 0.3824(2) 0.0546(12) Uani 1 1 d . . . . .
H12 H 1.134000 0.155821 0.332262 0.066 Uiso 1 1 calc R . . . .
C32 C 0.2366(6) -0.1795(3) 0.1460(3) 0.0611(12) Uani 1 1 d . . . . .
H32A H 0.310239 -0.205577 0.103486 0.092 Uiso 1 1 calc GR . . . .
H32B H 0.148699 -0.229506 0.137850 0.092 Uiso 1 1 calc GR . . . .
H32C H 0.283727 -0.170825 0.210792 0.092 Uiso 1 1 calc GR . . . .
C15 C 1.2568(5) -0.0035(3) 0.4010(3) 0.0543(12) Uani 1 1 d . . . . .
H15A H 1.346786 0.033940 0.385871 0.081 Uiso 1 1 calc GR . . . .
H15B H 1.180373 -0.015485 0.346464 0.081 Uiso 1 1 calc GR . . . .
H15C H 1.284760 -0.070700 0.418013 0.081 Uiso 1 1 calc GR . . . .
C16 C 1.3231(5) -0.0554(3) 0.6758(3) 0.0570(12) Uani 1 1 d . . . . .
H16A H 1.376426 -0.118740 0.682209 0.085 Uiso 1 1 calc GR . . . .
H16B H 1.223574 -0.061071 0.698717 0.085 Uiso 1 1 calc GR . . . .
H16C H 1.382461 0.005262 0.712477 0.085 Uiso 1 1 calc GR . . . .
C33 C 0.7772(7) 0.7827(5) 0.1905(3) 0.0923(19) Uani 1 1 d D . . . .
H33B H 0.840715 0.847928 0.193699 0.111 Uiso 0.354(6) 1 calc R . P A 1
H33A H 0.736528 0.788514 0.251837 0.111 Uiso 0.354(6) 1 calc R . P A 1
H33C H 0.770617 0.826982 0.251654 0.111 Uiso 0.646(6) 1 calc R . P A 2
H33D H 0.879020 0.754603 0.191175 0.111 Uiso 0.646(6) 1 calc R . P A 2
O5 O 0.8805(12) 0.7104(6) 0.1958(6) 0.072(4) Uani 0.354(6) 1 d D U P A 1
H5A H 0.844300 0.661072 0.218990 0.108 Uiso 0.354(6) 1 calc GR . P A 1
C34A C 0.7541(10) 0.8458(5) 0.1145(4) 0.054(2) Uani 0.646(6) 1 d D U P A 2
H34A H 0.840043 0.896865 0.119122 0.081 Uiso 0.646(6) 1 calc GR . P A 2
H34B H 0.660486 0.882410 0.120221 0.081 Uiso 0.646(6) 1 calc GR . P A 2
H34C H 0.746385 0.799916 0.053756 0.081 Uiso 0.646(6) 1 calc GR . P A 2
O5A O 0.6575(7) 0.6943(4) 0.1746(3) 0.078(2) Uani 0.646(6) 1 d D U P A 2
H5AA H 0.679349 0.652336 0.211293 0.117 Uiso 0.646(6) 1 calc GR . P A 2
C34 C 0.6452(14) 0.7978(11) 0.1273(9) 0.061(4) Uani 0.354(6) 1 d D U P A 1
H34D H 0.659320 0.864329 0.104721 0.092 Uiso 0.354(6) 1 calc GR . P A 1
H34E H 0.554630 0.798453 0.160555 0.092 Uiso 0.354(6) 1 calc GR . P A 1
H34F H 0.632938 0.740664 0.073944 0.092 Uiso 0.354(6) 1 calc GR . P A 1
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
O3 Co1 N1 113.53(10) . .
O3 Co1 N3 95.77(10) . .
O1 Co1 O3 119.45(11) . .
O1 Co1 N1 96.83(10) . .
O1 Co1 N3 113.64(10) . .
N1 Co1 N3 119.26(11) . .
C17 O3 Co1 126.1(2) . .
C1 O1 Co1 124.98(19) . .
N2 O4 C16 108.0(2) . .
C8 N1 Co1 121.29(19) . .
C7 N1 Co1 119.3(2) . .
C7 N1 C8 119.2(3) . .
C23 N3 Co1 120.8(2) . .
C23 N3 C24 118.3(3) . .
C24 N3 Co1 120.9(2) . .
N4 O2 C32 107.2(3) . .
C14 N2 O4 111.5(2) . .
N3 C23 H23 116.1 . .
N3 C23 C22 127.9(3) . .
C22 C23 H23 116.1 . .
C30 N4 O2 111.5(3) . .
C10 C11 C14 121.6(3) . .
C12 C11 C14 122.0(3) . .
C12 C11 C10 116.4(3) . .
C9 C8 N1 125.1(3) . .
C9 C8 C13 117.5(3) . .
C13 C8 N1 117.4(3) . .
C29 C24 N3 118.9(3) . .
C29 C24 C25 118.3(3) . .
C25 C24 N3 122.7(3) . .
N2 C14 C11 115.5(3) . .
N2 C14 C15 124.3(3) . .
C11 C14 C15 120.2(3) . .
C23 C22 C17 124.8(3) . .
C21 C22 C23 117.1(3) . .
C21 C22 C17 118.2(3) . .
C28 C27 C30 122.3(3) . .
C26 C27 C30 120.6(3) . .
C26 C27 C28 117.1(3) . .
N1 C7 H7 116.2 . .
N1 C7 C6 127.7(3) . .
C6 C7 H7 116.2 . .
O3 C17 C22 123.5(3) . .
O3 C17 C18 118.5(3) . .
C18 C17 C22 118.0(3) . .
C24 C29 H29 119.6 . .
C28 C29 C24 120.7(3) . .
C28 C29 H29 119.6 . .
C1 C6 C7 125.7(3) . .
C1 C6 C5 119.1(3) . .
C5 C6 C7 115.2(3) . .
C11 C10 H10 119.1 . .
C9 C10 C11 121.8(3) . .
C9 C10 H10 119.1 . .
N4 C30 C27 114.8(3) . .
N4 C30 C31 123.3(4) . .
C27 C30 C31 121.9(3) . .
C1 C2 H2 119.4 . .
C3 C2 H2 119.4 . .
C3 C2 C1 121.3(3) . .
O1 C1 C6 123.5(3) . .
O1 C1 C2 118.5(3) . .
C6 C1 C2 118.0(3) . .
C24 C25 H25 119.7 . .
C26 C25 C24 120.6(3) . .
C26 C25 H25 119.7 . .
C2 C3 H3 119.6 . .
C2 C3 C4 120.8(3) . .
C4 C3 H3 119.6 . .
C8 C9 H9 119.5 . .
C10 C9 C8 121.1(3) . .
C10 C9 H9 119.5 . .
C27 C28 H28 119.2 . .
C29 C28 C27 121.6(3) . .
C29 C28 H28 119.2 . .
C22 C21 H21 118.9 . .
C20 C21 C22 122.3(4) . .
C20 C21 H21 118.9 . .
C27 C26 H26 119.2 . .
C25 C26 C27 121.7(3) . .
C25 C26 H26 119.2 . .
C17 C18 H18 119.3 . .
C19 C18 C17 121.5(4) . .
C19 C18 H18 119.3 . .
C30 C31 H31A 109.5 . .
C30 C31 H31B 109.5 . .
C30 C31 H31C 109.5 . .
H31A C31 H31B 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C18 C19 H19 119.5 . .
C18 C19 C20 121.0(4) . .
C20 C19 H19 119.5 . .
C21 C20 C19 119.1(3) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
C6 C5 H5 119.3 . .
C4 C5 C6 121.4(3) . .
C4 C5 H5 119.3 . .
C3 C4 H4 120.3 . .
C5 C4 C3 119.4(3) . .
C5 C4 H4 120.3 . .
C8 C13 H13 119.5 . .
C12 C13 C8 120.9(3) . .
C12 C13 H13 119.5 . .
C11 C12 C13 122.3(3) . .
C11 C12 H12 118.9 . .
C13 C12 H12 118.9 . .
O2 C32 H32A 109.5 . .
O2 C32 H32B 109.5 . .
O2 C32 H32C 109.5 . .
H32A C32 H32B 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O4 C16 H16A 109.5 . .
O4 C16 H16B 109.5 . .
O4 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
H33B C33 H33A 105.1 . .
H33C C33 H33D 108.3 . .
O5 C33 H33B 102.9 . .
O5 C33 H33A 102.9 . .
O5 C33 C34 136.9(8) . .
C34A C33 H33C 109.8 . .
C34A C33 H33D 109.8 . .
C34A C33 O5A 109.2(5) . .
O5A C33 H33C 109.8 . .
O5A C33 H33D 109.8 . .
C34 C33 H33B 102.9 . .
C34 C33 H33A 102.9 . .
C33 O5 H5A 109.5 . .
C33 C34A H34A 109.5 . .
C33 C34A H34B 109.5 . .
C33 C34A H34C 109.5 . .
H34A C34A H34B 109.5 . .
H34A C34A H34C 109.5 . .
H34B C34A H34C 109.5 . .
C33 O5A H5AA 109.5 . .
C33 C34 H34D 109.5 . .
C33 C34 H34E 109.5 . .
C33 C34 H34F 109.5 . .
H34D C34 H34E 109.5 . .
H34D C34 H34F 109.5 . .
H34E C34 H34F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O3 1.907(2) .
Co1 O1 1.906(2) .
Co1 N1 1.991(3) .
Co1 N3 2.000(3) .
O3 C17 1.314(4) .
O1 C1 1.325(4) .
O4 N2 1.411(3) .
O4 C16 1.428(4) .
N1 C8 1.434(4) .
N1 C7 1.308(4) .
N3 C23 1.301(4) .
N3 C24 1.423(4) .
O2 N4 1.401(4) .
O2 C32 1.437(5) .
N2 C14 1.278(4) .
C23 H23 0.9300 .
C23 C22 1.424(5) .
N4 C30 1.294(4) .
C11 C14 1.484(4) .
C11 C10 1.396(4) .
C11 C12 1.371(5) .
C8 C9 1.379(4) .
C8 C13 1.387(4) .
C24 C29 1.392(4) .
C24 C25 1.399(4) .
C14 C15 1.501(4) .
C22 C17 1.432(5) .
C22 C21 1.418(4) .
C27 C30 1.477(5) .
C27 C28 1.400(4) .
C27 C26 1.399(5) .
C7 H7 0.9300 .
C7 C6 1.441(4) .
C17 C18 1.406(5) .
C29 H29 0.9300 .
C29 C28 1.375(5) .
C6 C1 1.403(5) .
C6 C5 1.414(4) .
C10 H10 0.9300 .
C10 C9 1.378(4) .
C30 C31 1.504(5) .
C2 H2 0.9300 .
C2 C1 1.415(4) .
C2 C3 1.371(5) .
C25 H25 0.9300 .
C25 C26 1.373(5) .
C3 H3 0.9300 .
C3 C4 1.380(5) .
C9 H9 0.9300 .
C28 H28 0.9300 .
C21 H21 0.9300 .
C21 C20 1.364(6) .
C26 H26 0.9300 .
C18 H18 0.9300 .
C18 C19 1.376(5) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C19 H19 0.9300 .
C19 C20 1.391(6) .
C20 H20 0.9300 .
C5 H5 0.9300 .
C5 C4 1.372(5) .
C4 H4 0.9300 .
C13 H13 0.9300 .
C13 C12 1.382(5) .
C12 H12 0.9300 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C33 H33B 0.9700 .
C33 H33A 0.9700 .
C33 H33C 0.9700 .
C33 H33D 0.9700 .
C33 O5 1.320(7) .
C33 C34A 1.451(6) .
C33 O5A 1.475(6) .
C33 C34 1.427(8) .
O5 H5A 0.8200 .
C34A H34A 0.9600 .
C34A H34B 0.9600 .
C34A H34C 0.9600 .
O5A H5AA 0.8200 .
C34 H34D 0.9600 .
C34 H34E 0.9600 .
C34 H34F 0.9600 .
