Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum Complex with a Chemically and Redox Noninnocent Ligand.
Margulieux, Grant W.; Bezdek, Máté J; Turner, Zoë R; Chirik, Paul J.; Journal of the American Chemical Society 139 (2017) 6110–6113; doi:10.1021/jacs.7b03070

data_4125977
_publ_section_title
;
 Ammonia Activation, H2 Evolution and Nitride Formation from a Molybdenum
 Complex with a Chemically and Redox Noninnocent Ligand.
;
_journal_issue                   17
_journal_name_full               'Journal of the American Chemical Society'
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_journal_page_last               6113
_journal_paper_doi               10.1021/jacs.7b03070
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C38 H59 F3 Mo N5 O4 S'
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;
2017-03-23 # Formatted by publCIF
;
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_refine_ls_abs_structure_details
;
 Flack x determined using 8001 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.022(3)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0313P)^2^+2.4007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     0.999
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_cod_depositor_comments
'Adding full bibliography for 4125975--4125979.cif.'
_cod_original_cell_volume        7411.5(9)
_cod_database_code               4125977
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