Materials with good energetic properties resulting from the smart combination of nitramino and dinitromethyl group with furazan
Huang, Haifeng; Li, Ying; Yang, Jun; Pan, Renming; Lin, Xiangyang; New Journal of Chemistry 41 (2017) 7697–; doi:10.1039/C7NJ01417A

data_7059116
_publ_section_title
;
 Materials with good energetic properties resulting from the smart
 combination of nitramino and dinitromethyl group with furazan
;
_journal_issue                   15
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7697
_journal_paper_doi               10.1039/C7NJ01417A
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C3 H8 N8 O7'
_chemical_formula_weight         268.17
_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-2013
_audit_update_record
;
2017-02-15 deposited with the CCDC.
2017-06-20 downloaded from the CCDC.
;
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_cell_angle_gamma                114.650(5)
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_cell_length_b                   7.666(2)
_cell_length_c                   10.104(3)
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_cell_measurement_temperature    293(2)
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_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0256
_diffrn_reflns_av_unetI/netI     0.0505
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_exptl_absorpt_correction_T_min  0.5498
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_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
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_exptl_crystal_description       prismatic
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_refine_ls_R_factor_all          0.0653
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+0.0980P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_database_code               7059116
_shelx_estimated_absorpt_t_min   0.964
_shelx_estimated_absorpt_t_max   0.988
_shelxl_version_number           2013-4
_shelx_res_checksum              15160