A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.
Zaragoza, Jan Paulo T.; Siegler, Maxime A.; Goldberg, David P.; Journal of the American Chemical Society 140 (2018) 4380–4390; doi:10.1021/jacs.8b00350

data_4132025
_publ_section_title
;
 A Reactive Manganese(IV)-Hydroxide Complex: A Missing Intermediate in
 Hydrogen Atom Transfer by High-Valent Metal-Oxo Porphyrinoid Compounds.
;
_journal_issue                   12
_journal_name_full               'Journal of the American Chemical Society'
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_journal_page_last               4390
_journal_paper_doi               10.1021/jacs.8b00350
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C91 H59 Mn N4 O'
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
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CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
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_exptl_crystal_density_diffrn    0.995
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0835P)^2^+0.6900P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1456
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_reflns_number_gt                14343
_reflns_number_total             16734
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