The strong correlations between thermal conductivities and electronic spin states in crystals of Fe(III) spin crossover complexes
Hoshino, Norihisa; Hayashi, Akari; Akutagawa, Tomoyuki; Dalton Transactions  (2022) –; doi:10.1039/D2DT01597H

data_7710854
_publ_section_title
;
 The strong correlations between thermal conductivities and electronic
 spin states in crystals of Fe(III) spin crossover complexes
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01597H
_journal_year                    2022
_chemical_formula_moiety         'C22 H28 Br2 Fe N4 O2 1+, C F3 O3 S 1-'
_chemical_formula_sum            'C23 H28 Br2 F3 Fe N4 O5 S'
_chemical_formula_weight         745.22
_space_group_crystal_system      monoclinic
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_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-07-07 deposited with the CCDC.	2022-07-28 downloaded from the CCDC.
;
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_cell_length_c                   12.6996(6)
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_cell_measurement_temperature    254(2)
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_computing_cell_refinement       'RAPID AUTO (Rigaku, 2011)'
_computing_data_collection       'RAPID AUTO (Rigaku, 2011)'
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_diffrn_ambient_temperature      254(2)
_diffrn_detector_area_resol_mean 10.000
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_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
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_exptl_crystal_colour            black
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_exptl_crystal_preparation       'Magnetic properties,Thermal conductivity'
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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^)+(0.0584P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        2834.5(2)
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_estimated_absorpt_t_max   0.473
_shelx_res_checksum              86854
_shelx_hkl_checksum              5299