Reversible thermo-induced spin crossover in a mononuclear cis-dicyanamido-cobalt(ii) complex containing a macrocyclic tetradentate ligand.
Ghosh, Subrata; Selvamani, Subramani; Mehta, Sakshi; Mondal, Abhishake; Dalton transactions (Cambridge, England : 2003) 49 (2020) 9208–9212; doi:10.1039/d0dt01888k

data_7704685
_publ_section_title
;
 Reversible thermo-induced spin crossover in a mononuclear
 cis-dicyanamido-cobalt(ii) complex containing a macrocyclic tetradentate
 ligand.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9208
_journal_page_last               9212
_journal_paper_doi               10.1039/d0dt01888k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C26 H32 Co N10'
_chemical_formula_weight         543.54
_space_group_crystal_system      monoclinic
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_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2020-04-28 deposited with the CCDC.	2020-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_reflns_used    3070
_cell_measurement_temperature    280(2)
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_cell_volume                     2683.9(3)
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_diffrn_ambient_temperature      280(2)
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_diffrn_measured_fraction_theta_max 0.774
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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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^)+(0.0372P)^2^+1.2690P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0920
_refine_ls_wR_factor_ref         0.1200
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3070
_reflns_number_total             6331
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           280K
_cod_depositor_comments
'Adding full bibliography for 7704684--7704685.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7704685
_shelx_shelxl_version_number     2016/6
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