Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group.
Zhong, Wei; Wu, Li; Jiang, Weidong; Li, Yulong; Mookan, Natarajan; Liu, Xiaoming; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13711–13718; doi:10.1039/c9dt02058f

data_7700840
_publ_section_title
;
 Proton-coupled electron transfer in the reduction of diiron hexacarbonyl
 complexes and its enhancement on the electrocatalytic reduction of
 protons by a pendant basic group.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13711
_journal_page_last               13718
_journal_paper_doi               10.1039/c9dt02058f
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C28 H16 Fe2 O12 S2'
_chemical_formula_sum            'C28 H16 Cl0 Fe2 N0 O12 S2'
_chemical_formula_weight         720.23
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
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Olex2 1.2-alpha
(compiled 2018.07.26 svn.r3523 for OlexSys, GUI svn.r5532)
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;
2019-06-28 deposited with the CCDC.    2019-08-14 downloaded from the CCDC.
;
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_diffrn_radiation_monochromator  graphite
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'w=1/[\s^2^(Fo^2^)+(0.0537P)^2^+1.2239P] 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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'Adding full bibliography for 7700838--7700840.cif.'
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C24(H24), C25(H25), C26(H26), C23(H23), C15(H15), C10(H10), C11(H11),
 C18(H18), C17(H17), C16(H16)
2.b Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C20(H20A,H20B,H20C)
;
_shelx_res_checksum              53975
_olex2_submission_special_instructions 'No special instructions were received'