A novel energetic framework combining the advantages of furazan and triazole: a design for high-performance insensitive explosives.
Ma, Jinchao; Yang, Hongwei; Tang, Jie; Zhang, Guojie; Yi, Zhenxin; Zhu, Shunguan; Cheng, Guangbin; Dalton transactions (Cambridge, England : 2003) 49 (2020) 4675–4679; doi:10.1039/d0dt00498g

data_7703715
_publ_section_title
;
 A novel energetic framework combining the advantages of furazan and
 triazole: a design for high-performance insensitive explosives.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4675
_journal_page_last               4679
_journal_paper_doi               10.1039/d0dt00498g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety
'C12 H14 N12 O4 S2, 0.67(C2 H6 O S), 0.82(H2 O)'
_chemical_formula_sum            'C13.33 H19.64 N12 O5.49 S2.67'
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2018-08-04 deposited with the CCDC.	2020-03-06 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
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_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_density_diffrn    1.606
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+7.7994P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1259
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                3951
_reflns_number_total             5862
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt00498g2.cif
_cod_data_source_block           1_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7703714--7703715.cif.'
_cod_original_cell_volume        3233.3(3)
_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.878
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_shelx_res_checksum              97179