1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials
Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer; Journal of the American Chemical Society 134 (2012) 20827–20836; doi:10.1021/ja310384y

data_4119053
_publ_contact_author_address
;
Department Chemie
Ludwig-Maximilians Universit\"at
Butenandtstra\&se 5-13 (Haus D)
D-81377 M\"unchen
Bundesrepublik Deutschland
;
_publ_contact_author_email       tmk@cup.uni-muenchen.de
_publ_contact_author_fax         '+49 89 2180 77492'
_publ_contact_author_name        'Thomas M. Klapo\"tke'
_publ_contact_author_phone       '+49 89 2180 77491'
_publ_section_title
;
 1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and
 the Strategy of Alternating Positive and Negative Charges in the Design
 of Energetic Materials
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              20827
_journal_page_last               20836
_journal_paper_doi               10.1021/ja310384y
_journal_volume                  134
_journal_year                    2012
_chemical_formula_sum            'C2 H2 K N7 O4'
_chemical_formula_weight         227.20
_chemical_name_common
'potassium 1,3-di(nitroimide)-1,2,3-triazolate '
_chemical_name_systematic
'potassium 1,3-di(nitroimide)-1,2,3-triazolate '
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_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_atom_sites_solution_hydrogens   geom
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'Sat Apr 21 17:03:50 2012'
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CrysAlisPro, Agilent Technologies,
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empirical absorption correction using spherical harmonics,
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   1.03(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0310P)^2^+0.0423P] where P=(Fo^2^+2Fc^2^)/3'
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