#------------------------------------------------------------------------------
#$Date: 2022-05-18 01:34:03 +0300 (Wed, 18 May 2022) $
#$Revision: 275493 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/49/7244946.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_7244946
loop_
_publ_author_name
'Tian, Zhengfang'
'Moorthy, Shruti'
'Xiang, Huan'
'Peng, Peng'
'You, Maolin'
'Zhang, Qian'
'Yang, Shun-Yi'
'Zhang, Yang-Lu'
'Wu, Dong-Qing'
'Singh, Saurabh Kumar'
'Shao, Dong'
_publ_section_title
;
 Tuning chain topologies and magnetic anisotropy in one-dimensional
 cobalt(ii) coordination polymers via distinct dicarboxylates
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE00437B
_journal_year                    2022
_chemical_formula_moiety         'C32 H21 Co N4 O4'
_chemical_formula_sum            'C32 H21 Co N4 O4'
_chemical_formula_weight         584.46
_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     iterative
_audit_creation_date             2021-12-31
_audit_creation_method
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_audit_update_record
;
2021-12-31 deposited with the CCDC.	2022-04-18 downloaded from the CCDC.
;
_cell_angle_alpha                101.581(3)
_cell_angle_beta                 91.522(3)
_cell_angle_gamma                100.108(2)
_cell_formula_units_Z            2
_cell_length_a                   8.4750(6)
_cell_length_b                   11.1720(8)
_cell_length_c                   13.5758(10)
_cell_measurement_reflns_used    8764
_cell_measurement_temperature    189.98
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.67
_cell_volume                     1237.13(16)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      189.98
_diffrn_measured_fraction_theta_full 0.998
_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  0.0852
_diffrn_reflns_av_unetI/netI     0.0994
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17055
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.610
_diffrn_reflns_theta_min         2.174
_diffrn_source_current           1.2
_diffrn_source_power             0.05759999999999999
_diffrn_source_voltage           48.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.961
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5687
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0909
_refine_ls_R_factor_gt           0.0692
_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)+(0.1350P)²+0.4655P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1978
_refine_ls_wR_factor_ref         0.2163
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4374
_reflns_number_total             5687
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce00437b2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7244946
_shelx_shelxl_version_number     2018/3
_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   0.7456
_shelx_estimated_absorpt_t_min   0.5441
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N4(H4), C2(H2), C5(H5), C7(H7), C9(H9), C11(H11), C12(H12), C13(H13),
 C14(H14), C15(H15), C16(H16), C20(H20), C21(H21), C23(H23), C25(H25), C26(H26),
  C28(H28), C29(H29), C30(H30), C32(H32), C33(H33)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.28201(5) 0.76824(4) 0.65584(3) 0.02605(19) Uani 1 1 d . . . . .
O1 O 0.2158(3) 0.9338(2) 0.6963(2) 0.0393(6) Uani 1 1 d . . . . .
O2 O 0.3701(3) 0.7544(2) 0.79706(19) 0.0332(6) Uani 1 1 d . . . . .
O3 O 0.3424(3) 0.5867(2) 0.6771(2) 0.0324(6) Uani 1 1 d . . . . .
O4 O 0.4293(3) 1.0673(3) 0.7789(2) 0.0420(7) Uani 1 1 d . . . . .
N1 N 0.0358(3) 0.6761(3) 0.6398(2) 0.0261(6) Uani 1 1 d . . . . .
N2 N 0.2228(3) 0.7415(2) 0.5047(2) 0.0236(6) Uani 1 1 d . . . . .
N3 N 0.5080(3) 0.8264(3) 0.5941(2) 0.0288(6) Uani 1 1 d . . . . .
N4 N 0.0142(4) 0.6838(4) -0.0125(3) 0.0506(10) Uani 1 1 d . . . . .
H4 H -0.011140 0.675370 -0.077159 0.061 Uiso 1 1 calc R U . . .
C1 C -0.0351(4) 0.6531(3) 0.5472(3) 0.0223(6) Uani 1 1 d . . . . .
C2 C 0.0450(5) 0.9595(4) 0.8652(4) 0.0464(10) Uani 1 1 d . . . . .
H2 H -0.008682 0.916615 0.802390 0.056 Uiso 1 1 calc R U . . .
C3 C 0.2949(5) 1.0099(4) 0.7748(4) 0.0451(10) Uani 1 1 d . . . . .
C4 C 0.3772(4) 0.6405(3) 0.7674(3) 0.0248(7) Uani 1 1 d . . . . .
C5 C 0.6280(4) 0.8767(4) 0.4460(3) 0.0368(9) Uani 1 1 d . . . . .
H5 H 0.617591 0.877830 0.376347 0.044 Uiso 1 1 calc R U . . .
C6 C 0.4970(4) 0.8289(3) 0.4958(3) 0.0261(7) Uani 1 1 d . . . . .
C7 C -0.0715(5) 0.6164(5) 0.0439(3) 0.0518(12) Uani 1 1 d . . . . .
H7 H -0.164812 0.559673 0.013105 0.062 Uiso 1 1 calc R U . . .
C8 C 0.0713(4) 0.6917(3) 0.4683(3) 0.0229(6) Uani 1 1 d . . . . .
C9 C 0.7865(4) 0.9207(4) 0.6020(3) 0.0357(8) Uani 1 1 d . . . . .
H9 H 0.885896 0.951380 0.640372 0.043 Uiso 1 1 calc R U . . .
C10 C 0.4255(4) 0.5699(3) 0.8425(3) 0.0245(7) Uani 1 1 d . . . . .
C11 C 0.7739(4) 0.9224(4) 0.5014(3) 0.0409(9) Uani 1 1 d . . . . .
H11 H 0.865331 0.955001 0.469489 0.049 Uiso 1 1 calc R U . . .
C12 C 0.0264(4) 0.6802(3) 0.3678(3) 0.0252(7) Uani 1 1 d . . . . .
H12 H -0.081045 0.644972 0.342995 0.030 Uiso 1 1 calc R U . . .
C13 C 0.1409(5) 0.7653(4) 0.0343(3) 0.0455(10) Uani 1 1 d . . . . .
H13 H 0.205119 0.814280 -0.004712 0.055 Uiso 1 1 calc R U . . .
C14 C 0.2979(4) 0.7702(3) 0.3420(3) 0.0260(7) Uani 1 1 d . . . . .
H14 H 0.378468 0.797345 0.299902 0.031 Uiso 1 1 calc R U . . .
C15 C 0.2855(6) 1.0743(4) 0.9647(4) 0.0504(11) Uani 1 1 d . . . . .
H15 H 0.396660 1.109158 0.968060 0.061 Uiso 1 1 calc R U . . .
C16 C 0.4550(4) 0.6282(3) 0.9415(3) 0.0260(7) Uani 1 1 d . . . . .
H16 H 0.448518 0.713698 0.960844 0.031 Uiso 1 1 calc R U . . .
C17 C 0.0959(4) 0.7096(3) 0.1940(3) 0.0299(7) Uani 1 1 d . . . . .
C18 C 0.4951(4) 0.5642(3) 1.0160(3) 0.0245(7) Uani 1 1 d . . . . .
C20 C 0.4754(4) 0.3779(3) 0.8812(3) 0.0277(7) Uani 1 1 d . . . . .
H20 H 0.482475 0.292761 0.860004 0.033 Uiso 1 1 calc R U . . .
C21 C -0.2117(4) 0.5906(3) 0.7009(3) 0.0352(8) Uani 1 1 d . . . . .
H21 H -0.270841 0.571446 0.755994 0.042 Uiso 1 1 calc R U . . .
C22 C 0.1398(4) 0.7206(3) 0.3024(3) 0.0258(7) Uani 1 1 d . . . . .
C23 C -0.0338(5) 0.6233(4) 0.1446(3) 0.0437(10) Uani 1 1 d . . . . .
H23 H -0.096764 0.568848 0.179998 0.052 Uiso 1 1 calc R U . . .
C24 C 0.3346(4) 0.7788(3) 0.4437(3) 0.0246(7) Uani 1 1 d . . . . .
C25 C 0.1859(5) 0.7835(4) 0.1364(3) 0.0381(9) Uani 1 1 d . . . . .
H25 H 0.275774 0.844916 0.166135 0.046 Uiso 1 1 calc R U . . .
C26 C 0.4363(4) 0.4436(3) 0.8115(3) 0.0267(7) Uani 1 1 d . . . . .
H26 H 0.416659 0.403861 0.742446 0.032 Uiso 1 1 calc R U . . .
C27 C -0.0398(5) 0.9682(4) 0.9533(4) 0.0468(10) Uani 1 1 d . . . . .
C28 C -0.1943(4) 0.5951(3) 0.5263(3) 0.0286(7) Uani 1 1 d . . . . .
H28 H -0.241616 0.576594 0.459473 0.034 Uiso 1 1 calc R U . . .
C29 C 0.2072(6) 1.0840(4) 1.0496(4) 0.0526(11) Uani 1 1 d . . . . .
H29 H 0.263034 1.125802 1.112041 0.063 Uiso 1 1 calc R U . . .
C30 C -0.0495(4) 0.6461(3) 0.7157(3) 0.0314(8) Uani 1 1 d . . . . .
H30 H 0.001623 0.662975 0.781404 0.038 Uiso 1 1 calc R U . . .
C31 C 0.2059(5) 1.0128(4) 0.8691(4) 0.0462(10) Uani 1 1 d . . . . .
C32 C 0.6498(4) 0.8727(4) 0.6468(3) 0.0354(8) Uani 1 1 d . . . . .
H32 H 0.657075 0.872707 0.716729 0.042 Uiso 1 1 calc R U . . .
C33 C -0.2837(4) 0.5644(3) 0.6058(3) 0.0331(8) Uani 1 1 d . . . . .
H33 H -0.393591 0.525691 0.593808 0.040 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 0.0033 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
O1 Co1 O2 98.08(11) . . ?
O1 Co1 O3 156.67(11) . . ?
O1 Co1 N1 90.74(11) . . ?
O1 Co1 N2 96.89(11) . . ?
O1 Co1 N3 99.21(11) . . ?
O2 Co1 O3 60.77(10) . . ?
O2 Co1 N1 106.10(11) . . ?
O2 Co1 N3 98.54(11) . . ?
N1 Co1 O3 86.45(10) . . ?
N1 Co1 N3 151.84(12) . . ?
N2 Co1 O2 164.82(11) . . ?
N2 Co1 O3 104.88(10) . . ?
N2 Co1 N1 76.20(11) . . ?
N2 Co1 N3 76.48(11) . . ?
N3 Co1 O3 94.01(10) . . ?
C3 O1 Co1 116.4(3) . . ?
C4 O2 Co1 92.6(2) . . ?
C4 O3 Co1 85.62(19) . . ?
C1 N1 Co1 115.8(2) . . ?
C1 N1 C30 119.6(3) . . ?
C30 N1 Co1 124.6(2) . . ?
C8 N2 Co1 119.9(2) . . ?
C24 N2 Co1 119.4(2) . . ?
C24 N2 C8 120.6(3) . . ?
C6 N3 Co1 114.5(2) . . ?
C6 N3 C32 118.9(3) . . ?
C32 N3 Co1 126.1(3) . . ?
C7 N4 H4 122.0 . . ?
C7 N4 C13 116.1(4) . . ?
C13 N4 H4 122.0 . . ?
N1 C1 C8 115.0(3) . . ?
N1 C1 C28 121.9(3) . . ?
C28 C1 C8 123.1(3) . . ?
C27 C2 H2 119.7 . . ?
C31 C2 H2 119.7 . . ?
C31 C2 C27 120.6(5) . . ?
O1 C3 C31 113.1(4) . . ?
O4 C3 O1 127.0(4) . . ?
O4 C3 C31 119.7(4) . . ?
O2 C4 C10 118.9(3) . . ?
O3 C4 O2 120.9(3) . . ?
O3 C4 C10 120.2(3) . . ?
C6 C5 H5 121.0 . . ?
C11 C5 H5 121.0 . . ?
C11 C5 C6 118.0(4) . . ?
N3 C6 C5 122.3(3) . . ?
N3 C6 C24 115.4(3) . . ?
C5 C6 C24 122.3(3) . . ?
N4 C7 H7 117.9 . . ?
N4 C7 C23 124.2(4) . . ?
C23 C7 H7 117.9 . . ?
N2 C8 C1 112.9(3) . . ?
N2 C8 C12 120.8(3) . . ?
C12 C8 C1 126.2(3) . . ?
C11 C9 H9 120.8 . . ?
C11 C9 C32 118.5(3) . . ?
C32 C9 H9 120.8 . . ?
C16 C10 C4 119.5(3) . . ?
C16 C10 C26 120.4(3) . . ?
C26 C10 C4 120.1(3) . . ?
C5 C11 H11 119.9 . . ?
C9 C11 C5 120.2(3) . . ?
C9 C11 H11 119.9 . . ?
C8 C12 H12 120.0 . . ?
C8 C12 C22 119.9(3) . . ?
C22 C12 H12 120.0 . . ?
N4 C13 H13 117.7 . . ?
N4 C13 C25 124.5(4) . . ?
C25 C13 H13 117.7 . . ?
C22 C14 H14 120.5 . . ?
C24 C14 H14 120.5 . . ?
C24 C14 C22 118.9(3) . . ?
C29 C15 H15 119.2 . . ?
C29 C15 C31 121.6(4) . . ?
C31 C15 H15 119.2 . . ?
C10 C16 H16 119.2 . . ?
C10 C16 C18 121.6(3) . . ?
C18 C16 H16 119.2 . . ?
C23 C17 C22 121.6(3) . . ?
C23 C17 C25 116.8(4) . . ?
C25 C17 C22 121.5(3) . . ?
C16 C18 C18 117.6(4) . 2_667 ?
C20 C18 C16 122.6(3) 2_667 . ?
C20 C18 C18 119.8(4) 2_667 2_667 ?
C18 C20 H20 119.7 2_667 . ?
C26 C20 C18 120.6(3) . 2_667 ?
C26 C20 H20 119.7 . . ?
C30 C21 H21 120.6 . . ?
C33 C21 H21 120.6 . . ?
C33 C21 C30 118.8(3) . . ?
C12 C22 C14 118.1(3) . . ?
C12 C22 C17 121.4(3) . . ?
C14 C22 C17 120.6(3) . . ?
C7 C23 C17 119.9(4) . . ?
C7 C23 H23 120.1 . . ?
C17 C23 H23 120.1 . . ?
N2 C24 C6 113.6(3) . . ?
N2 C24 C14 121.7(3) . . ?
C14 C24 C6 124.7(3) . . ?
C13 C25 C17 118.4(4) . . ?
C13 C25 H25 120.8 . . ?
C17 C25 H25 120.8 . . ?
C10 C26 H26 120.0 . . ?
C20 C26 C10 120.0(3) . . ?
C20 C26 H26 120.0 . . ?
C2 C27 C27 119.7(5) . 2_577 ?
C2 C27 C29 121.4(5) . 2_577 ?
C27 C27 C29 118.8(6) 2_577 2_577 ?
C1 C28 H28 120.8 . . ?
C1 C28 C33 118.5(3) . . ?
C33 C28 H28 120.8 . . ?
C15 C29 C27 120.3(5) . 2_577 ?
C15 C29 H29 119.8 . . ?
C27 C29 H29 119.8 2_577 . ?
N1 C30 C21 121.8(3) . . ?
N1 C30 H30 119.1 . . ?
C21 C30 H30 119.1 . . ?
C2 C31 C3 121.0(4) . . ?
C2 C31 C15 118.8(4) . . ?
C15 C31 C3 120.2(4) . . ?
N3 C32 C9 122.1(4) . . ?
N3 C32 H32 118.9 . . ?
C9 C32 H32 118.9 . . ?
C21 C33 C28 119.4(3) . . ?
C21 C33 H33 120.3 . . ?
C28 C33 H33 120.3 . . ?
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
Co1 O1 2.003(3) . ?
Co1 O2 2.083(2) . ?
Co1 O3 2.247(2) . ?
Co1 N1 2.143(3) . ?
Co1 N2 2.048(3) . ?
Co1 N3 2.159(3) . ?
O1 C3 1.306(6) . ?
O2 C4 1.269(4) . ?
O3 C4 1.254(4) . ?
O4 C3 1.199(5) . ?
N1 C1 1.336(4) . ?
N1 C30 1.338(4) . ?
N2 C8 1.345(4) . ?
N2 C24 1.341(4) . ?
N3 C6 1.341(5) . ?
N3 C32 1.345(5) . ?
N4 H4 0.8800 . ?
N4 C7 1.323(6) . ?
N4 C13 1.332(6) . ?
C1 C8 1.499(4) . ?
C1 C28 1.385(4) . ?
C2 H2 0.9500 . ?
C2 C27 1.408(7) . ?
C2 C31 1.383(6) . ?
C3 C31 1.501(6) . ?
C4 C10 1.497(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(4) . ?
C5 C11 1.390(5) . ?
C6 C24 1.493(4) . ?
C7 H7 0.9500 . ?
C7 C23 1.379(6) . ?
C8 C12 1.381(5) . ?
C9 H9 0.9500 . ?
C9 C11 1.372(6) . ?
C9 C32 1.396(5) . ?
C10 C16 1.366(5) . ?
C10 C26 1.409(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C12 C22 1.404(4) . ?
C13 H13 0.9500 . ?
C13 C25 1.393(6) . ?
C14 H14 0.9500 . ?
C14 C22 1.405(5) . ?
C14 C24 1.387(5) . ?
C15 H15 0.9500 . ?
C15 C29 1.341(7) . ?
C15 C31 1.429(7) . ?
C16 H16 0.9500 . ?
C16 C18 1.417(4) . ?
C17 C22 1.484(5) . ?
C17 C23 1.385(6) . ?
C17 C25 1.395(5) . ?
C18 C18 1.431(6) 2_667 ?
C18 C20 1.410(5) 2_667 ?
C20 H20 0.9500 . ?
C20 C26 1.376(4) . ?
C21 H21 0.9500 . ?
C21 C30 1.396(5) . ?
C21 C33 1.368(6) . ?
C23 H23 0.9500 . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C27 1.411(10) 2_577 ?
C27 C29 1.433(6) 2_577 ?
C28 H28 0.9500 . ?
C28 C33 1.400(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 O1 C3 O4 73.8(5) . . . . ?
Co1 O1 C3 C31 -100.8(4) . . . . ?
Co1 O2 C4 O3 3.2(3) . . . . ?
Co1 O2 C4 C10 -175.8(2) . . . . ?
Co1 O3 C4 O2 -3.0(3) . . . . ?
Co1 O3 C4 C10 176.0(3) . . . . ?
Co1 N1 C1 C8 2.1(3) . . . . ?
Co1 N1 C1 C28 -179.4(2) . . . . ?
Co1 N1 C30 C21 177.3(3) . . . . ?
Co1 N2 C8 C1 -4.1(3) . . . . ?
Co1 N2 C8 C12 175.8(2) . . . . ?
Co1 N2 C24 C6 4.2(4) . . . . ?
Co1 N2 C24 C14 -175.8(2) . . . . ?
Co1 N3 C6 C5 173.0(3) . . . . ?
Co1 N3 C6 C24 -6.1(4) . . . . ?
Co1 N3 C32 C9 -172.8(3) . . . . ?
O1 C3 C31 C2 -12.5(6) . . . . ?
O1 C3 C31 C15 169.3(4) . . . . ?
O2 C4 C10 C16 2.4(4) . . . . ?
O2 C4 C10 C26 -179.2(3) . . . . ?
O3 C4 C10 C16 -176.7(3) . . . . ?
O3 C4 C10 C26 1.8(4) . . . . ?
O4 C3 C31 C2 172.5(4) . . . . ?
O4 C3 C31 C15 -5.7(7) . . . . ?
N1 C1 C8 N2 1.1(4) . . . . ?
N1 C1 C8 C12 -178.8(3) . . . . ?
N1 C1 C28 C33 2.4(5) . . . . ?
N2 C8 C12 C22 0.1(5) . . . . ?
N3 C6 C24 N2 1.6(4) . . . . ?
N3 C6 C24 C14 -178.5(3) . . . . ?
N4 C7 C23 C17 3.7(8) . . . . ?
N4 C13 C25 C17 2.0(7) . . . . ?
C1 N1 C30 C21 0.2(5) . . . . ?
C1 C8 C12 C22 -180.0(3) . . . . ?
C1 C28 C33 C21 -0.9(5) . . . . ?
C4 C10 C16 C18 177.6(3) . . . . ?
C4 C10 C26 C20 -177.8(3) . . . . ?
C5 C6 C24 N2 -177.6(3) . . . . ?
C5 C6 C24 C14 2.4(5) . . . . ?
C6 N3 C32 C9 -1.4(6) . . . . ?
C6 C5 C11 C9 -0.4(6) . . . . ?
C7 N4 C13 C25 -0.6(7) . . . . ?
C8 N2 C24 C6 -178.6(3) . . . . ?
C8 N2 C24 C14 1.5(5) . . . . ?
C8 C1 C28 C33 -179.1(3) . . . . ?
C8 C12 C22 C14 1.1(5) . . . . ?
C8 C12 C22 C17 180.0(3) . . . . ?
C10 C16 C18 C18 0.5(6) . . . 2_667 ?
C10 C16 C18 C20 -179.4(3) . . . 2_667 ?
C11 C5 C6 N3 0.2(6) . . . . ?
C11 C5 C6 C24 179.3(3) . . . . ?
C11 C9 C32 N3 1.2(6) . . . . ?
C13 N4 C7 C23 -2.2(7) . . . . ?
C16 C10 C26 C20 0.6(5) . . . . ?
C18 C20 C26 C10 0.0(5) 2_667 . . . ?
C22 C14 C24 N2 -0.3(5) . . . . ?
C22 C14 C24 C6 179.8(3) . . . . ?
C22 C17 C23 C7 179.6(4) . . . . ?
C22 C17 C25 C13 177.8(4) . . . . ?
C23 C17 C22 C12 -23.4(5) . . . . ?
C23 C17 C22 C14 155.4(4) . . . . ?
C23 C17 C25 C13 -0.5(6) . . . . ?
C24 N2 C8 C1 178.7(3) . . . . ?
C24 N2 C8 C12 -1.4(5) . . . . ?
C24 C14 C22 C12 -1.0(5) . . . . ?
C24 C14 C22 C17 -179.9(3) . . . . ?
C25 C17 C22 C12 158.3(3) . . . . ?
C25 C17 C22 C14 -22.8(5) . . . . ?
C25 C17 C23 C7 -2.1(6) . . . . ?
C26 C10 C16 C18 -0.8(5) . . . . ?
C27 C2 C31 C3 -176.7(4) . . . . ?
C27 C2 C31 C15 1.5(6) . . . . ?
C28 C1 C8 N2 -177.4(3) . . . . ?
C28 C1 C8 C12 2.7(5) . . . . ?
C29 C15 C31 C2 -1.7(7) . . . . ?
C29 C15 C31 C3 176.6(4) . . . . ?
C30 N1 C1 C8 179.4(3) . . . . ?
C30 N1 C1 C28 -2.1(5) . . . . ?
C30 C21 C33 C28 -0.8(5) . . . . ?
C31 C2 C27 C27 -0.1(8) . . . 2_577 ?
C31 C2 C27 C29 178.6(4) . . . 2_577 ?
C31 C15 C29 C27 0.3(7) . . . 2_577 ?
C32 N3 C6 C5 0.7(5) . . . . ?
C32 N3 C6 C24 -178.5(3) . . . . ?
C32 C9 C11 C5 -0.3(6) . . . . ?
C33 C21 C30 N1 1.2(6) . . . . ?
