Synthesis and properties of 5,5′-dinitramino-3,3′-bi(1,2,4-oxadiazole) and its energetic salts
Cao, Yupeng; Huang, Haifeng; Lin, Xiangyang; Yang, Jun; Gong, Xuedong; New Journal of Chemistry 42 (2018) 11390–; doi:10.1039/C8NJ01683F

data_7057447
_publ_section_title
;
 Synthesis and properties of
 5,5&#x2032;-dinitramino-3,3&#x2032;-bi(1,2,4-oxadiazole) and its
 energetic salts
;
_journal_issue                   14
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11390
_journal_paper_doi               10.1039/C8NJ01683F
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C4 H10 N10 O7'
_chemical_formula_weight         310.22
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_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_atom_sites_solution_hydrogens   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc1zj38w
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_audit_update_record
;
2018-03-27 deposited with the CCDC.
2018-05-14 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_ambient_temperature      173(2)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0201
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_diffrn_reflns_number            20605
_diffrn_reflns_point_group_measured_fraction_full 0.994
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         2334
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0717P)^2^+0.4511P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                2060
_reflns_number_total             2334
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 7057447.cif.'
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