Mononuclear Fe(III) complexes with 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis, structure, and magnetic behavior.
Jeong, Ah Rim; Park, Si Ra; Shin, Jong Won; Kim, Jihyun; Tokunaga, Ryuya; Hayami, Shinya; Min, Kil Sik; Dalton transactions (Cambridge, England : 2003) 53 (2024) 6809–6817; doi:10.1039/d3dt04385a

data_7715470
_publ_section_title
;
 Mononuclear Fe(III) complexes with
 2,4-dichloro-6-((quinoline-8-ylimino)methyl)phenolate: synthesis,
 structure, and magnetic behavior.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6809
_journal_page_last               6817
_journal_paper_doi               10.1039/d3dt04385a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C32 H18 Cl4 Fe N4 O2, Cl O4'
_chemical_formula_sum            'C32 H18 Cl5 Fe N4 O6'
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_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2024-02-13 deposited with the CCDC.	2024-03-18 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-2019/2 (Sheldrick 2019)'
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_refine_ls_number_reflns         9877
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_refine_ls_R_factor_all          0.0898
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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^)+(0.1642P)^2^+3.1062P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2342
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                7465
_reflns_number_total             9877
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           3b(293k)_sq
_cod_depositor_comments
'Adding full bibliography for 7715466--7715471.cif.'
_cod_original_cell_volume        3708.1(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7715470
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.918
_shelx_estimated_absorpt_t_max   0.972
_shelx_res_checksum              83133
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