1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.
Huang, Haifeng; Shi, Yameng; Liu, Yanfang; Yang, Jun; Dalton transactions (Cambridge, England : 2003) 45 (2016) 15382–; doi:10.1039/c6dt02993k

data_7040383
_publ_section_title
;
 1,2,4,5-Dioxadiazine-functionalized [N-NO2](-) furazan energetic salts.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15382
_journal_paper_doi               10.1039/c6dt02993k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C6 H10 N12 O9'
_chemical_formula_weight         394.26
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2016-07-24 deposited with the CCDC.
2016-08-19 downloaded from the CCDC.
;
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_cell_measurement_theta_min      6.005
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
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_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0281
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_diffrn_reflns_Laue_measured_fraction_full 0.972
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_diffrn_reflns_theta_max         24.997
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_exptl_absorpt_coefficient_mu    0.166
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6431
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2552
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.1032
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1509P)^2^+0.1122P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.2357
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_reflns_number_gt                1730
_reflns_number_total             2552
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           cd16348
_cod_depositor_comments
'Adding full bibliography for 7040382--7040385.cif.'
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