Hydroxo Iron(III) Sites in a Metal-Organic Framework: Proton-Coupled Electron Transfer and Catalytic Oxidation of Alcohol with Molecular Oxygen.
Ding, Chong-Wei; Luo, Wenzhi; Zhou, Jie-Yi; Ma, Xin-Jie; Chen, Guang-Hui; Zhou, Xiao-Ping; Li, Dan; ACS applied materials & interfaces  (2019) –; doi:10.1021/acsami.9b15311

data_4517146
_publ_section_title
;
 Hydroxo Iron(III) Sites in a Metal-Organic Framework: Proton-Coupled
 Electron Transfer and Catalytic Oxidation of Alcohol with Molecular
 Oxygen.
;
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_paper_doi               10.1021/acsami.9b15311
_journal_year                    2019
_chemical_formula_sum            'C8 H7 Fe N6 O'
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_space_group_name_Hall           '-I 4bd 2c 3'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
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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^)+(0.0860P)^2^+513.9458P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_cod_original_formula_sum        C8H7FeN6O
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_platon_squeeze_void_probe_radius 1.20