5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the synthesis of energetic salts: a new strategy for constructing the nitrogen-rich cation based on the energetic moiety combination.
Zhang, Guojie; Chen, Ya; Liao, Longyu; Lu, Huanchang; Zhang, Zhenqi; Ma, Qing; Yang, Hongwei; Fan, Guijuan; Dalton transactions (Cambridge, England : 2003) 47 (2018) 13391–13401; doi:10.1039/c8dt01760c

data_7047310
_publ_section_title
;
 5-Amino-1H-1,2,4-triazole-3-carbohydrazide and its applications in the
 synthesis of energetic salts: a new strategy for constructing the
 nitrogen-rich cation based on the energetic moiety combination.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13391
_journal_page_last               13401
_journal_paper_doi               10.1039/c8dt01760c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C6 H2 N3 O9, C3 H7 N6 O'
_chemical_formula_sum            'C9 H9 N9 O10'
_chemical_formula_weight         403.25
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2018-07-22 deposited with the CCDC.
2018-08-20 downloaded from the CCDC.
;
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_cell_angle_gamma                93.39(3)
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_cell_volume                     724.6(4)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0300
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_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
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_diffrn_reflns_point_group_measured_fraction_full 0.984
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_diffrn_reflns_theta_max         25.500
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_exptl_absorpt_coefficient_mu    0.169
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_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_crystal_colour            colourless
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_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0615
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0785P)^2^+0.1015P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1305
_refine_ls_wR_factor_ref         0.1404
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2092
_reflns_number_total             2656
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt01760c2.cif
_cod_data_source_block           TNPG-ATCH
_cod_depositor_comments
'Adding full bibliography for 7047309--7047314.cif.'
_cod_database_code               7047310
_shelx_shelxl_version_number     2017/1
_shelx_res_checksum              18982