Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.
Haiges, R.; Bélanger-Chabot, G; Kaplan, S. M.; Christe, K. O.; Dalton transactions (Cambridge, England : 2003) 44 (2015) 7586–7594; doi:10.1039/c5dt00888c

data_7034619
_publ_section_title
;
 Preparation and characterization of 3,5-dinitro-1H-1,2,4-triazole.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7586
_journal_page_last               7594
_journal_paper_doi               10.1039/c5dt00888c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C5 H8 N4 O3'
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_audit_update_record
;
2015-03-04 deposited with the CCDC.
2015-03-26 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker SMART APEX II DUO diffractometer'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           CuK\a
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_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    1.086
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_exptl_absorpt_correction_type   multi-scan
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'Sheldrick, G.M. (2008) SADABS v2008/1. Bruker AXS Inc. Madison, WI USA.'
_exptl_crystal_colour            'clear colorless'
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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^)+(0.0512P)^2^+0.0922P] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.0823
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_reflns_number_gt                1209
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5dt00888c2.cif
_cod_data_source_block           C5H8N4O3
_cod_depositor_comments
'Adding full bibliography for 7034616--7034621.cif.'
_cod_original_cell_volume        379.25(7)
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