Magnetic anisotropies and slow magnetic relaxation of three tetrahedral tetrakis(pseudohalido)–cobalt(ii) complexes
Chen, Shu-Yang; Lv, Wei; Cui, Hui-Hui; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Wang, Zhenxing; Ouyang, Zhong-Wen; Yan, Hong; Xue, Zi-Ling; New Journal of Chemistry 45 (2021) 16852–16861; doi:10.1039/D1NJ01916C

data_7060930
_publ_section_title
;
 Magnetic anisotropies and slow magnetic relaxation of three tetrahedral
 tetrakis(pseudohalido)--cobalt(ii) complexes
;
_journal_issue                   36
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16852
_journal_page_last               16861
_journal_paper_doi               10.1039/D1NJ01916C
_journal_volume                  45
_journal_year                    2021
_chemical_formula_sum            'C52 H40 Co N4 O4 P2 S0'
_chemical_formula_weight         905.75
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/ccdc.csd.cc23950m
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-08-05 deposited with the CCDC.	2021-08-09 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_cell_length_c                   13.6901(18)
_cell_measurement_reflns_used    6756
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.48
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_computing_cell_refinement       'Bruker SMART'
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_computing_structure_solution    'Bruker SHELXTL'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_av_R_equivalents  0.0793
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_exptl_absorpt_coefficient_mu    0.518
_exptl_absorpt_correction_T_max  0.9218
_exptl_absorpt_correction_T_min  0.8946
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
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_refine_ls_R_factor_all          0.0757
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+7.2094P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1204
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_reflns_number_gt                4076
_reflns_number_total             5037
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj01916c2.cif
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_cod_depositor_comments
'Adding full bibliography for 7060928--7060930.cif.'
_cod_original_cell_volume        4375.1(11)
_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_res_checksum              1205