Experimental and Computational (77)Se NMR Investigations of the Cyclic Eight-Membered Selenium Imides 1,3,5,7-Se4(NR)4 (R = Me, (t)Bu) and 1,5-Se6(NMe)2.
Karhu, Aino J.; Pakkanen, Olli J.; Rautiainen, J. Mikko; Oilunkaniemi, Raija; Chivers, Tristram; Laitinen, Risto S.; Inorganic chemistry 54 (2015) 4990–4997; doi:10.1021/acs.inorgchem.5b00582

data_4342961
_publ_section_title
;
 Experimental and Computational (77)Se NMR Investigations of the Cyclic
 Eight-Membered Selenium Imides 1,3,5,7-Se4(NR)4 (R = Me, (t)Bu) and
 1,5-Se6(NMe)2.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4990
_journal_page_last               4997
_journal_paper_doi               10.1021/acs.inorgchem.5b00582
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C2 H6 N2 Se10'
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_chemical_name_systematic
'dimethyl hexaselenium diimide-octaselenium(2/1)'
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2015-03-12 # Formatted by publCIF

;
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1221P)^2^+61.0666P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2737
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_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 4342961--4342962.cif.'
_cod_original_cell_volume        1597.9(5)
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