Metal salts of fused triazole–triazine as promising energetic materials: crystal structures, energetic properties and high thermal stability
Liu, Shichang; Dong, Zhen; Ye, Zhiwen; New Journal of Chemistry 48 (2024) 16331–16336; doi:10.1039/D4NJ02823F

data_7063418
_publ_section_title
;
 Metal salts of fused triazole--triazine as promising energetic materials:
 crystal structures, energetic properties and high thermal stability
;
_journal_issue                   37
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16331
_journal_page_last               16336
_journal_paper_doi               10.1039/D4NJ02823F
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C5 H K2 N9 O6'
_chemical_formula_sum            'C5 H K2 N9 O6'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2022-09-28 deposited with the CCDC.	2024-08-19 downloaded from the CCDC.
;
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_cell_volume                     1163.35(9)
_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON 100'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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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^)+(0.0382P)^2^+0.5733P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7063418--7063420.cif.'
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