Effect of ligand substituents and tuning the spin-state switching in manganese(iii) complexes.
Ghosh, Subrata; Bagchi, Sukanya; Kamilya, Sujit; Mondal, Abhishake; Dalton transactions (Cambridge, England : 2003) 50 (2021) 4634–4642; doi:10.1039/d1dt00284h

data_7706712
_publ_section_title
;
 Effect of ligand substituents and tuning the spin-state switching in
 manganese(iii) complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4634
_journal_page_last               4642
_journal_paper_doi               10.1039/d1dt00284h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C46 H30 B Br2 Mn N4 O2'
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;
2020-12-05 deposited with the CCDC.	2021-03-01 downloaded from the CCDC.
;
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
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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^)+(0.0250P)^2^+16.5524P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1650
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_reflns_number_gt                7881
_reflns_number_total             12472
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt00284h2.cif
_cod_data_source_block           Complex2_100K
_cod_depositor_comments
'Adding full bibliography for 7706708--7706712.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7706712
_shelx_shelxl_version_number     2018/3
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_shelx_res_checksum              67260
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