Formation of trinitromethyl functionalized 1,2,4-triazole-based energetic ionic salts and a zwitterionic salt directed by an intermolecular and intramolecular metathesis strategy
Ma, Qing; Gu, Hao; Huang, Jinglun; Nie, Fude; Fan, Guijuan; Liao, Longyu; Yang, Wei; New Journal of Chemistry 42 (2018) 2376–; doi:10.1039/C7NJ03939E

data_7056911
_publ_section_title
;
 Formation of trinitromethyl functionalized 1,2,4-triazole-based energetic
 ionic salts and a zwitterionic salt directed by an intermolecular and
 intramolecular metathesis strategy
;
_journal_issue                   4
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2376
_journal_paper_doi               10.1039/C7NJ03939E
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C8 H12 N6 O6'
_chemical_formula_weight         288.24
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2016-12-28 deposited with the CCDC.
2018-01-17 downloaded from the CCDC.
;
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_diffrn_radiation_type           MoK\a
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.065
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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^)+(0.0530P)^2^+0.0167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.1004
_reflns_Friedel_coverage         0.000
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7056911--7056913.cif.'
_cod_original_cell_volume        583.18(19)
_cod_database_code               7056911
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_shelx_res_checksum              97675