Syntheses and characterizations of iron complexes of bulky <i>o</i>-phenylenediamide ligand.
Liang, Qiuming; Lin, Jack H.; DeMuth, Joshua C.; Neidig, Michael L.; Song, Datong; Dalton transactions (Cambridge, England : 2003) 49 (2020) 12287–12297; doi:10.1039/d0dt02087g

data_7705182
_publ_section_title
;
 Syntheses and characterizations of iron complexes of bulky
 <i>o</i>-phenylenediamide ligand.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12287
_journal_page_last               12297
_journal_paper_doi               10.1039/d0dt02087g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C60 H76 Cl2 Fe2 N4, C4 H10 O'
_chemical_formula_sum            'C64 H86 Cl2 Fe2 N4 O'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2020-08-11 deposited with the CCDC.	2020-08-17 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
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_diffrn_measurement_device_type  'Bruker Kappa Apex II'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'dark green'
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_exptl_crystal_description       block
_exptl_crystal_F_000             592
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_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
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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^)+(0.0357P)^2^+0.3940P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0810
_refine_ls_wR_factor_ref         0.0902
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_reflns_number_gt                5131
_reflns_number_total             7092
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt02087g2.cif
_cod_data_source_block           wl152
_cod_depositor_comments
'Adding full bibliography for 7705182--7705191.cif.'
_cod_original_cell_volume        1561.82(19)
_cod_database_code               7705182
_shelx_shelxl_version_number     2016/6
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