N-Oxides light up energetic performances: synthesis and characterization of dinitraminobisfuroxans and their salts
He, Chunlin; Tang, Yongxing; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.; Journal of Materials Chemistry A 4 (2016) 8969–; doi:10.1039/C6TA03619H

data_7236330
_publ_section_title
;
 N-Oxides light up energetic performances: synthesis and characterization
 of dinitraminobisfuroxans and their salts
;
_journal_issue                   23
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              8969
_journal_paper_doi               10.1039/C6TA03619H
_journal_volume                  4
_journal_year                    2016
_chemical_formula_moiety         'C4 N8 O8, 2(H4 N)'
_chemical_formula_sum            'C4 H8 N10 O8'
_chemical_formula_weight         324.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-03 deposited with the CCDC.
2016-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                64.804(4)
_cell_angle_beta                 87.429(4)
_cell_angle_gamma                67.479(4)
_cell_formula_units_Z            1
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_cell_length_b                   7.3210(10)
_cell_length_c                   8.4065(10)
_cell_measurement_reflns_used    2296
_cell_measurement_temperature    296(2)
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_cell_measurement_theta_min      2.70
_cell_volume                     293.79(7)
_computing_cell_refinement       'Bruker APEX2 v2014.11-0 (Bruker, 2009)'
_computing_data_collection       'Bruker APEX2 v2014.11-0 (Bruker, 2009)'
_computing_data_reduction
;
Bruker SAINT v7.68A (Bruker, 2009), Bruker XPREP v2014/2 (Bruker, 2008)
;
_computing_molecular_graphics    'Bruker SHELXTL v2014/7 (Bruker, 2008)'
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'SHELXL-2014/7 (Sheldrick, 2014) within WINGX (Farrugia, 2012)'
_computing_structure_solution    'Bruker SHELXTL v2014/7 (Bruker, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.874
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       '\w scans'
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_diffrn_radiation_source         'fine focus sealed tube'
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_diffrn_reflns_Laue_measured_fraction_max 0.874
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_diffrn_reflns_limit_l_min       -12
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_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_R_factor_all          0.0337
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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^)+(0.0532P)^2^+0.0634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1480
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_max   0.984