Combination of four oxadiazole rings for the generation of energetic materials with high detonation performance, low sensitivity and excellent thermal stability
Sun, Qi; Shen, Cheng; Li, Xin; Lin, Qiuhan; Lu, Ming; Journal of Materials Chemistry A 5 (2017) 11063–; doi:10.1039/C7TA02209C

data_7236573
_publ_section_title
;
 Combination of four oxadiazole rings for the generation of energetic
 materials with high detonation performance, low sensitivity and excellent
 thermal stability
;
_journal_issue                   22
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              11063
_journal_paper_doi               10.1039/C7TA02209C
_journal_volume                  5
_journal_year                    2017
_chemical_formula_moiety         '2(H5 N2), C8 H2 N10 O6'
_chemical_formula_sum            'C8 H12 N14 O6'
_chemical_formula_weight         400.32
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2yc'
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_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-03-13 deposited with the CCDC.
2017-05-02 downloaded from the CCDC.
;
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_cell_angle_gamma                90
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
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_diffrn_reflns_Laue_measured_fraction_max 0.997
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_exptl_absorpt_correction_T_max  0.7452
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
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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^)+(0.0546P)^2^+0.9008P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1027
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ta02209c2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7236573
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.959
_shelx_estimated_absorpt_t_max   0.981
_shelx_res_checksum              35666
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