Electronic control of the protonation rates of Fe-Fe bonds.
Jablonskytė, Aušra; Webster, Lee R.; Simmons, Trevor R.; Wright, Joseph A.; Pickett, Christopher J.; Journal of the American Chemical Society 136 (2014) 13038–13044; doi:10.1021/ja506693m

data_4122585
_publ_section_title
;
 Electronic control of the protonation rates of Fe-Fe bonds.
;
_journal_issue                   37
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13038
_journal_page_last               13044
_journal_paper_doi               10.1021/ja506693m
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C12 H12 Fe2 O6 S2'
_chemical_formula_structural     Fe2(iPr-pdt)(CO)6
_chemical_formula_sum            'C12 H12 Fe2 O6 S2'
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_chemical_name_systematic
;
 ?
;
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;
 SHELXL-2014 (Sheldrick, 2014), WinGX (Farrugia, 2012)
 and enCIFer (Allen et al., 2004)
;
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_diffrn_measurement_device
;
AFC12 (Right): Kappa 3 circle
;
_diffrn_measurement_device_type
;
Rigaku Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_method       'profile data from \w-scans'
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_exptl_crystal_description       block
_exptl_crystal_F_000             432
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_refine_diff_density_min         -0.343
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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^)+(0.0236P)^2^+0.2937P] 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_depositor_comments
'Adding full bibliography for 4122577--4122589.cif.'
_cod_database_code               4122585
_shelx_estimated_absorpt_t_min   0.461
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_shelxl_version_number           2014-3
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