3D chiral and 2D achiral cobalt(ii) compounds constructed from a 4-(benzimidazole-1-yl)benzoic ligand exhibiting field-induced single-ion-magnet-type slow magnetic relaxation.
Wang, Yu-Ling; Chen, Lin; Liu, Cai-Ming; Du, Zi-Yi; Chen, Li-Li; Liu, Qing-Yan; Dalton transactions (Cambridge, England : 2003) 45 (2016) 7768–7775; doi:10.1039/c6dt00676k

data_7038874
_publ_section_title
;
 3D chiral and 2D achiral cobalt(ii) compounds constructed from a
 4-(benzimidazole-1-yl)benzoic ligand exhibiting field-induced
 single-ion-magnet-type slow magnetic relaxation.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7768
_journal_page_last               7775
_journal_paper_doi               10.1039/c6dt00676k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C42 H28 Co N6 O6'
_chemical_formula_weight         771.63
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/cc1jr1kw
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-03-16 deposited with the CCDC.
2016-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                72.807(3)
_cell_angle_beta                 81.143(3)
_cell_angle_gamma                61.863(2)
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_cell_length_c                   14.4291(8)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.53
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_cell_volume                     1706.98(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
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_diffrn_reflns_limit_l_max       18
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_diffrn_reflns_number            28349
_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_coefficient_mu    0.565
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
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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^)+(0.0494P)^2^+0.6414P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             7849
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           CCDC-1422328
_cod_depositor_comments
'Adding full bibliography for 7038874--7038875.cif.'
_cod_database_code               7038874
_shelx_shelxl_version_number     2014/7
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