Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.
Samuel, Prinson P.; Mondal, Kartik Chandra; Amin Sk, Nurul; Roesky, Herbert W.; Carl, Elena; Neufeld, Roman; Stalke, Dietmar; Demeshko, Serhiy; Meyer, Franc; Ungur, Liviu; Chibotaru, Liviu F.; Christian, Jonathan; Ramachandran, Vasanth; van Tol, Johan; Dalal, Naresh S.; Journal of the American Chemical Society 136 (2014) 11964–; doi:10.1021/ja5043116

data_4122374
_publ_section_title
;
 Electronic Structure and Slow Magnetic Relaxation of Low-Coordinate
 Cyclic Alkyl(amino) Carbene Stabilized Iron(I) Complexes.
;
_journal_issue                   34
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11964
_journal_paper_doi               10.1021/ja5043116
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C70 H67 B F21 Fe N2'
_chemical_formula_sum            'C70 H67 B F21 Fe N2'
_chemical_formula_weight         1401.91
_chemical_name_systematic
;
 ?
;
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_diffrn_measurement_device_type  'Bruker Smart Apex II Quazar'
_diffrn_radiation_type           AgK\a
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_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0463
_refine_ls_R_factor_gt           0.0320
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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^)+(0.0285P)^2^+2.1416P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           p-1_a
_cod_depositor_comments
'Adding full bibliography for 4122372--4122374.cif.'
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