#------------------------------------------------------------------------------
#$Date: 2022-05-21 01:45:31 +0300 (Sat, 21 May 2022) $
#$Revision: 275587 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/49/7244965.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_7244965
loop_
_publ_author_name
'Hu, Ji-Hong'
'Liu, Yuan-Chin'
'Liu, Yu-Hsiang'
'Chen, Jhy-Der'
_publ_section_title
;
 Structural transformations in cobalt(ii) coordination polymers
 constructed from flexible N,N′-bis(3-pyridylmethyl)sebacoamide and
 benzene-1,3,5-tricarboxylic acid
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE00308B
_journal_year                    2022
_chemical_formula_sum            'C31 H36 Co N4 O9'
_chemical_formula_weight         667.57
_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   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2022-03-03 deposited with the CCDC.	2022-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                99.2496(19)
_cell_angle_beta                 96.1945(17)
_cell_angle_gamma                107.9554(16)
_cell_formula_units_Z            2
_cell_length_a                   10.1212(3)
_cell_length_b                   10.9593(3)
_cell_length_c                   15.0495(4)
_cell_measurement_reflns_used    4870
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.21
_cell_measurement_theta_min      2.40
_cell_volume                     1545.16(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0875
_diffrn_reflns_av_unetI/netI     0.0990
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25224
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.391
_exptl_absorpt_coefficient_mu    0.616
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2008/1(bruker axs, 2008)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_description       plate
_exptl_crystal_F_000             698
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.362
_refine_diff_density_min         -0.418
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         6099
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1239
_refine_ls_R_factor_gt           0.0559
_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)+(0.0480P)²+0.1523P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1207
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3534
_reflns_number_total             6099
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce00308b2.cif
_cod_data_source_block           1
_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               7244965
_shelx_shelxl_version_number     2017/1
_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_min   0.887
_shelx_estimated_absorpt_t_max   0.941
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
Co Co 0.37424(4) 0.60679(5) -0.04106(4) 0.03262(17) Uani 1 1 d . . . . .
O1 O 0.2543(4) 0.4609(4) 0.3662(3) 0.1079(14) Uani 1 1 d . . . . .
O2 O -0.5040(4) -0.1522(3) 0.5891(3) 0.0946(12) Uani 1 1 d . . . . .
O3 O 0.5707(2) 0.6926(2) -0.06522(17) 0.0410(7) Uani 1 1 d . . . . .
O4 O 0.6641(2) 0.5577(2) -0.01041(18) 0.0460(7) Uani 1 1 d . . . . .
O5 O 0.8791(3) 1.0912(2) -0.13692(19) 0.0509(7) Uani 1 1 d . . . . .
H5B H 0.910234 1.174627 -0.147301 0.079(15) Uiso 1 1 d R . . . .
O6 O 1.0959(3) 1.1079(3) -0.1605(2) 0.0745(10) Uani 1 1 d . . . . .
O7 O 1.2894(2) 0.7559(2) -0.09123(17) 0.0417(7) Uani 1 1 d . . . . .
O8 O 1.1566(2) 0.5956(2) -0.03804(17) 0.0404(7) Uani 1 1 d . . . . .
N1 N 0.4356(3) 0.7310(3) 0.0920(2) 0.0425(8) Uani 1 1 d . . . . .
N2 N 0.2393(3) 0.6360(4) 0.3168(2) 0.0630(11) Uani 1 1 d . . . . .
H2A H 0.183024 0.671867 0.293614 0.076 Uiso 1 1 calc R U . . .
N3 N -0.4641(3) -0.3351(4) 0.6121(2) 0.0594(10) Uani 1 1 d . . . . .
H3A H -0.401180 -0.369633 0.626152 0.071 Uiso 1 1 calc R U . . .
N4 N -0.6724(3) -0.5010(3) 0.8199(2) 0.0389(8) Uani 1 1 d . . . . .
C1 C 0.5045(4) 0.8596(4) 0.1010(3) 0.0580(12) Uani 1 1 d . . . . .
H1A H 0.529839 0.891100 0.049345 0.070 Uiso 1 1 calc R U . . .
C2 C 0.5390(5) 0.9463(5) 0.1830(4) 0.0757(15) Uani 1 1 d . . . . .
H2B H 0.585665 1.034952 0.186684 0.091 Uiso 1 1 calc R U . . .
C3 C 0.5031(4) 0.8996(5) 0.2603(3) 0.0663(13) Uani 1 1 d . . . . .
H3B H 0.526560 0.956740 0.316789 0.080 Uiso 1 1 calc R U . . .
C4 C 0.4325(4) 0.7681(5) 0.2532(3) 0.0518(11) Uani 1 1 d . . . . .
C5 C 0.4025(4) 0.6896(4) 0.1675(3) 0.0456(11) Uani 1 1 d . . . . .
H5A H 0.355346 0.600564 0.162042 0.055 Uiso 1 1 calc R U . . .
C6 C 0.3893(4) 0.7115(5) 0.3349(3) 0.0678(14) Uani 1 1 d . . . . .
H6A H 0.443211 0.655261 0.348242 0.081 Uiso 1 1 calc R U . . .
H6B H 0.409378 0.781846 0.387768 0.081 Uiso 1 1 calc R U . . .
C7 C 0.1824(5) 0.5179(5) 0.3327(3) 0.0574(12) Uani 1 1 d . . . . .
C8 C 0.0241(4) 0.4614(4) 0.3106(3) 0.0709(14) Uani 1 1 d . . . . .
H8A H -0.004696 0.465333 0.247797 0.085 Uiso 1 1 calc R U . . .
H8B H -0.014313 0.517098 0.349065 0.085 Uiso 1 1 calc R U . . .
C9 C -0.0425(5) 0.3210(5) 0.3220(3) 0.0804(16) Uani 1 1 d . . . . .
H9A H -0.137533 0.286552 0.287702 0.096 Uiso 1 1 calc R U . . .
H9B H 0.010425 0.268453 0.295398 0.096 Uiso 1 1 calc R U . . .
C10 C -0.0485(5) 0.3058(5) 0.4154(4) 0.0788(16) Uani 1 1 d . . . . .
H10A H -0.098542 0.360067 0.443507 0.095 Uiso 1 1 calc R U . . .
H10B H 0.046425 0.334975 0.449654 0.095 Uiso 1 1 calc R U . . .
C11 C -0.1243(5) 0.1601(5) 0.4193(4) 0.0880(17) Uani 1 1 d . . . . .
H11A H -0.217732 0.130184 0.382930 0.106 Uiso 1 1 calc R U . . .
H11B H -0.072193 0.106542 0.392977 0.106 Uiso 1 1 calc R U . . .
C12 C -0.1365(6) 0.1426(5) 0.5120(4) 0.0941(18) Uani 1 1 d . . . . .
H12A H -0.190086 0.195507 0.536958 0.113 Uiso 1 1 calc R U . . .
H12B H -0.042691 0.176754 0.548126 0.113 Uiso 1 1 calc R U . . .
C13 C -0.2060(5) 0.0009(5) 0.5243(4) 0.0795(16) Uani 1 1 d . . . . .
H13A H -0.301800 -0.033415 0.491074 0.095 Uiso 1 1 calc R U . . .
H13B H -0.154515 -0.053886 0.498862 0.095 Uiso 1 1 calc R U . . .
C14 C -0.2078(5) -0.0042(5) 0.6223(4) 0.0850(17) Uani 1 1 d . . . . .
H14A H -0.263061 0.047918 0.646048 0.102 Uiso 1 1 calc R U . . .
H14B H -0.112224 0.036247 0.655334 0.102 Uiso 1 1 calc R U . . .
C15 C -0.2658(5) -0.1382(5) 0.6419(4) 0.0860(17) Uani 1 1 d . . . . .
H15A H -0.244310 -0.131633 0.707197 0.103 Uiso 1 1 calc R U . . .
H15B H -0.216628 -0.192516 0.612707 0.103 Uiso 1 1 calc R U . . .
C16 C -0.4222(5) -0.2077(5) 0.6116(3) 0.0613(13) Uani 1 1 d . . . . .
C17 C -0.6102(4) -0.4187(4) 0.5902(3) 0.0649(13) Uani 1 1 d . . . . .
H17A H -0.624534 -0.478546 0.532309 0.078 Uiso 1 1 calc R U . . .
H17B H -0.669263 -0.364889 0.583027 0.078 Uiso 1 1 calc R U . . .
C18 C -0.6555(4) -0.4968(4) 0.6618(3) 0.0447(10) Uani 1 1 d . . . . .
C19 C -0.7197(4) -0.6296(4) 0.6401(3) 0.0590(12) Uani 1 1 d . . . . .
H19A H -0.735704 -0.674208 0.579840 0.071 Uiso 1 1 calc R U . . .
C20 C -0.7611(4) -0.6980(4) 0.7079(4) 0.0635(13) Uani 1 1 d . . . . .
H20A H -0.805688 -0.788358 0.693927 0.076 Uiso 1 1 calc R U . . .
C21 C -0.7348(4) -0.6295(4) 0.7958(3) 0.0489(11) Uani 1 1 d . . . . .
H21A H -0.762374 -0.675622 0.841138 0.059 Uiso 1 1 calc R U . . .
C22 C -0.6344(4) -0.4370(4) 0.7525(3) 0.0433(10) Uani 1 1 d . . . . .
H22A H -0.591091 -0.346517 0.768169 0.052 Uiso 1 1 calc R U . . .
C23 C 0.6716(3) 0.6535(3) -0.0468(2) 0.0255(8) Uani 1 1 d . . . . .
C24 C 0.8107(3) 0.7279(3) -0.0700(2) 0.0245(8) Uani 1 1 d . . . . .
C25 C 0.8301(3) 0.8469(3) -0.0959(2) 0.0282(8) Uani 1 1 d . . . . .
H25A H 0.755568 0.879479 -0.101152 0.034 Uiso 1 1 calc R U . . .
C26 C 0.9606(3) 0.9183(3) -0.1142(2) 0.0279(8) Uani 1 1 d . . . . .
C27 C 1.0706(3) 0.8687(3) -0.1068(2) 0.0317(9) Uani 1 1 d . . . . .
H27A H 1.157650 0.915926 -0.119274 0.038 Uiso 1 1 calc R U . . .
C28 C 1.0532(3) 0.7505(3) -0.0812(2) 0.0271(8) Uani 1 1 d . . . . .
C29 C 0.9221(3) 0.6800(3) -0.0628(2) 0.0282(8) Uani 1 1 d . . . . .
H29A H 0.909481 0.599961 -0.045540 0.034 Uiso 1 1 calc R U . . .
C30 C 0.9869(4) 1.0478(3) -0.1398(3) 0.0392(10) Uani 1 1 d . . . . .
C31 C 1.1744(3) 0.6988(3) -0.0702(2) 0.0319(9) Uani 1 1 d . . . . .
O9 O 0.9365(2) 1.3481(2) -0.13839(18) 0.0538(8) Uani 1 1 d . . . . .
H9C H 0.889416 1.358894 -0.096080 0.065 Uiso 1 1 d R U . . .
H9D H 1.019886 1.402374 -0.123850 0.065 Uiso 1 1 d 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'
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'
Co Co 0.3494 0.9721 '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
O4 Co O3 118.30(9) 2_665 . ?
O4 Co N1 92.56(11) 2_665 . ?
O3 Co N1 88.08(11) . . ?
O4 Co N4 92.89(11) 2_665 1_664 ?
O3 Co N4 86.71(10) . 1_664 ?
N1 Co N4 173.79(11) . 1_664 ?
O4 Co O8 88.86(9) 2_665 1_455 ?
O3 Co O8 152.83(9) . 1_455 ?
N1 Co O8 89.92(10) . 1_455 ?
N4 Co O8 93.16(10) 1_664 1_455 ?
O4 Co O7 147.80(9) 2_665 1_455 ?
O3 Co O7 93.89(8) . 1_455 ?
N1 Co O7 88.79(11) . 1_455 ?
N4 Co O7 88.20(10) 1_664 1_455 ?
O8 Co O7 58.96(8) 1_455 1_455 ?
C23 O3 Co 124.0(2) . . ?
C23 O4 Co 172.7(2) . 2_665 ?
C30 O5 H5B 105.9 . . ?
C31 O7 Co 88.6(2) . 1_655 ?
C31 O8 Co 91.75(18) . 1_655 ?
C5 N1 C1 116.8(4) . . ?
C5 N1 Co 123.5(3) . . ?
C1 N1 Co 119.6(3) . . ?
C7 N2 C6 125.8(4) . . ?
C7 N2 H2A 117.1 . . ?
C6 N2 H2A 117.1 . . ?
C16 N3 C17 123.5(4) . . ?
C16 N3 H3A 118.3 . . ?
C17 N3 H3A 118.3 . . ?
C21 N4 C22 116.7(4) . . ?
C21 N4 Co 123.7(3) . 1_446 ?
C22 N4 Co 119.6(3) . 1_446 ?
N1 C1 C2 122.8(4) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C1 C2 C3 118.8(4) . . ?
C1 C2 H2B 120.6 . . ?
C3 C2 H2B 120.6 . . ?
C4 C3 C2 119.7(5) . . ?
C4 C3 H3B 120.1 . . ?
C2 C3 H3B 120.1 . . ?
C5 C4 C3 116.7(4) . . ?
C5 C4 C6 121.1(4) . . ?
C3 C4 C6 122.2(5) . . ?
N1 C5 C4 125.1(4) . . ?
N1 C5 H5A 117.4 . . ?
C4 C5 H5A 117.4 . . ?
N2 C6 C4 110.3(3) . . ?
N2 C6 H6A 109.6 . . ?
C4 C6 H6A 109.6 . . ?
N2 C6 H6B 109.6 . . ?
C4 C6 H6B 109.6 . . ?
H6A C6 H6B 108.1 . . ?
O1 C7 N2 121.3(4) . . ?
O1 C7 C8 122.6(4) . . ?
N2 C7 C8 116.0(4) . . ?
C7 C8 C9 116.6(4) . . ?
C7 C8 H8A 108.1 . . ?
C9 C8 H8A 108.1 . . ?
C7 C8 H8B 108.1 . . ?
C9 C8 H8B 108.1 . . ?
H8A C8 H8B 107.3 . . ?
C10 C9 C8 115.0(5) . . ?
C10 C9 H9A 108.5 . . ?
C8 C9 H9A 108.5 . . ?
C10 C9 H9B 108.5 . . ?
C8 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C9 C10 C11 111.0(5) . . ?
C9 C10 H10A 109.4 . . ?
C11 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C11 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C12 C11 C10 112.2(5) . . ?
C12 C11 H11A 109.2 . . ?
C10 C11 H11A 109.2 . . ?
C12 C11 H11B 109.2 . . ?
C10 C11 H11B 109.2 . . ?
H11A C11 H11B 107.9 . . ?
C11 C12 C13 116.6(5) . . ?
C11 C12 H12A 108.1 . . ?
C13 C12 H12A 108.1 . . ?
C11 C12 H12B 108.1 . . ?
C13 C12 H12B 108.1 . . ?
H12A C12 H12B 107.3 . . ?
C14 C13 C12 111.3(5) . . ?
C14 C13 H13A 109.4 . . ?
C12 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
C12 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C13 C14 C15 115.4(5) . . ?
C13 C14 H14A 108.4 . . ?
C15 C14 H14A 108.4 . . ?
C13 C14 H14B 108.4 . . ?
C15 C14 H14B 108.4 . . ?
H14A C14 H14B 107.5 . . ?
C14 C15 C16 116.6(4) . . ?
C14 C15 H15A 108.1 . . ?
C16 C15 H15A 108.1 . . ?
C14 C15 H15B 108.1 . . ?
C16 C15 H15B 108.1 . . ?
H15A C15 H15B 107.3 . . ?
O2 C16 N3 122.4(5) . . ?
O2 C16 C15 123.2(5) . . ?
N3 C16 C15 114.4(4) . . ?
N3 C17 C18 113.2(3) . . ?
N3 C17 H17A 108.9 . . ?
C18 C17 H17A 108.9 . . ?
N3 C17 H17B 108.9 . . ?
C18 C17 H17B 108.9 . . ?
H17A C17 H17B 107.8 . . ?
C19 C18 C22 116.9(4) . . ?
C19 C18 C17 121.8(4) . . ?
C22 C18 C17 121.3(4) . . ?
C18 C19 C20 120.1(4) . . ?
C18 C19 H19A 120.0 . . ?
C20 C19 H19A 120.0 . . ?
C21 C20 C19 118.3(4) . . ?
C21 C20 H20A 120.8 . . ?
C19 C20 H20A 120.8 . . ?
N4 C21 C20 123.7(4) . . ?
N4 C21 H21A 118.2 . . ?
C20 C21 H21A 118.2 . . ?
N4 C22 C18 124.3(4) . . ?
N4 C22 H22A 117.8 . . ?
C18 C22 H22A 117.8 . . ?
O3 C23 O4 124.2(3) . . ?
O3 C23 C24 117.2(3) . . ?
O4 C23 C24 118.6(3) . . ?
C25 C24 C29 119.3(3) . . ?
C25 C24 C23 120.4(3) . . ?
C29 C24 C23 120.3(3) . . ?
C24 C25 C26 120.4(3) . . ?
C24 C25 H25A 119.8 . . ?
C26 C25 H25A 119.8 . . ?
C27 C26 C25 119.4(3) . . ?
C27 C26 C30 118.4(3) . . ?
C25 C26 C30 122.1(3) . . ?
C28 C27 C26 120.9(3) . . ?
C28 C27 H27A 119.5 . . ?
C26 C27 H27A 119.5 . . ?
C27 C28 C29 119.1(3) . . ?
C27 C28 C31 120.9(3) . . ?
C29 C28 C31 120.0(3) . . ?
C24 C29 C28 120.8(3) . . ?
C24 C29 H29A 119.6 . . ?
C28 C29 H29A 119.6 . . ?
O6 C30 O5 123.1(3) . . ?
O6 C30 C26 123.4(3) . . ?
O5 C30 C26 113.5(3) . . ?
O7 C31 O8 120.6(3) . . ?
O7 C31 C28 121.0(3) . . ?
O8 C31 C28 118.4(3) . . ?
H9C O9 H9D 110.1 . . ?
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
Co O4 2.021(2) 2_665 ?
Co O3 2.021(2) . ?
Co N1 2.140(3) . ?
Co N4 2.155(3) 1_664 ?
Co O8 2.174(2) 1_455 ?
Co O7 2.258(2) 1_455 ?
O1 C7 1.215(5) . ?
O2 C16 1.219(5) . ?
O3 C23 1.245(3) . ?
O4 C23 1.246(3) . ?
O5 C30 1.320(4) . ?
O5 H5B 0.9157 . ?
O6 C30 1.200(4) . ?
O7 C31 1.242(4) . ?
O8 C31 1.270(4) . ?
N1 C5 1.329(5) . ?
N1 C1 1.343(5) . ?
N2 C7 1.318(5) . ?
N2 C6 1.458(5) . ?
N2 H2A 0.8600 . ?
N3 C16 1.329(5) . ?
N3 C17 1.448(5) . ?
N3 H3A 0.8600 . ?
N4 C21 1.324(4) . ?
N4 C22 1.348(4) . ?
C1 C2 1.368(6) . ?
C1 H1A 0.9300 . ?
C2 C3 1.384(6) . ?
C2 H2B 0.9300 . ?
C3 C4 1.378(5) . ?
C3 H3B 0.9300 . ?
C4 C5 1.376(5) . ?
C4 C6 1.509(6) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C8 1.506(6) . ?
C8 C9 1.523(6) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.448(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.558(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.450(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.545(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.488(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.494(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.510(6) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C17 C18 1.504(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.366(5) . ?
C18 C22 1.380(5) . ?
C19 C20 1.387(5) . ?
C19 H19A 0.9300 . ?
C20 C21 1.365(6) . ?
C20 H20A 0.9300 . ?
C21 H21A 0.9300 . ?
C22 H22A 0.9300 . ?
C23 C24 1.503(4) . ?
C24 C25 1.383(4) . ?
C24 C29 1.384(4) . ?
C25 C26 1.394(4) . ?
C25 H25A 0.9300 . ?
C26 C27 1.383(4) . ?
C26 C30 1.483(4) . ?
C27 C28 1.375(4) . ?
C27 H27A 0.9300 . ?
C28 C29 1.396(4) . ?
C28 C31 1.506(4) . ?
C29 H29A 0.9300 . ?
O9 H9C 0.8500 . ?
O9 H9D 0.8500 . ?
