From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed benzimidazole‒dicarboxylate strategy: syntheses, structures, and magnetic properties
Kong, Jiao-Jiao; Shao, Dong; Zhang, Jia-Chen; Jiang, Yu-Xuan; Ji, Cheng-Long; Huang, Xing-Cai; CrystEngComm 21 (2019) 749–; doi:10.1039/C8CE01931B

data_7231987
_publ_section_title
;
 From mononuclear to two-dimensional cobalt(ii) complexes based on a mixed
 benzimidazole--dicarboxylate strategy: syntheses, structures, and
 magnetic properties
;
_journal_issue                   4
_journal_name_full               CrystEngComm
_journal_page_first              749
_journal_paper_doi               10.1039/C8CE01931B
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C22 H26 Co N4 O5'
_chemical_formula_sum            'C22 H26 Co N4 O5'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-30 deposited with the CCDC.
2018-12-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      203(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_av_unetI/netI     0.0585
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_diffrn_reflns_point_group_measured_fraction_full 0.995
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_exptl_absorpt_coefficient_mu    0.811
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_description       BLOCK
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0726
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0835P)^2^+1.5859P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1540
_refine_ls_wR_factor_ref         0.1658
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_reflns_number_gt                3854
_reflns_number_total             5099
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ce01931b2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7231986--7231988.cif.'
_cod_database_code               7231987
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.748
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_shelx_res_checksum              57997