C8N12O10: a promising energetic compound with excellent detonation performance and desirable sensitivity
Xiong, Hualin; Cheng, Guangbin; Zhang, Zaichao; Yang, Hongwei; New Journal of Chemistry 43 (2019) 7784–; doi:10.1039/C9NJ00955H

data_7058313
_publ_section_title
;
 C8N12O10: a promising energetic compound with excellent detonation
 performance and desirable sensitivity
;
_journal_issue                   20
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              7784
_journal_paper_doi               10.1039/C9NJ00955H
_journal_volume                  43
_journal_year                    2019
_chemical_formula_moiety         'C4 H2 N6 O5'
_chemical_formula_sum            'C4 H2 N6 O5'
_chemical_formula_weight         214.12
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
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;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
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2017-09-04 deposited with the CCDC.    2019-04-18 downloaded from the CCDC.
;
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_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
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_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
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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^)+(0.0366P)^2^+0.2990P] 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_depositor_comments
'Adding full bibliography for 7058313--7058314.cif.'
_cod_database_code               7058313
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H5A(0.029) H5B(0.029)
;
_shelx_estimated_absorpt_t_max   0.970
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_shelx_res_checksum              17569
_shelx_shelxl_version_number     2014/7