Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and Understand Oxidation and Reduction Potentials
Landman, Marilé; Pretorius, René; Buitendach, Blenerhassitt E.; van Rooyen, Petrus H.; Conradie, Jeanet; Organometallics 32 (2013) 5491–; doi:10.1021/om400778z

data_4089611
_publ_section_title
;
 Synthesis, Structure, and Electrochemistry of Fischer Alkoxy- and
 Aminocarbene Complexes of Tungsten: The Use of DFT To Predict and
 Understand Oxidation and Reduction Potentials
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              5491
_journal_paper_doi               10.1021/om400778z
_journal_volume                  32
_journal_year                    2013
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_cell_length_c                   9.7945(4)
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics
; <i>ORTEP-3 for Windows</i> (Farrugia, 1997),
 <i>Mercury</i> (Macrae <i>et al</i>., 2008)
;
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_diffrn_measurement_device_type  'Bruker kappa Proton CMOS'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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;
 w=1/[\s^2^(Fo^2^)+(0.0221P)^2^+0.5447P]
 where P=(Fo^2^+2Fc^2^)/3
;
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           compound_1
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