Novel dinitromethyl-featured polynitro energetic salts.
Li, Ying; Huang, Haifeng; Lin, Xiangyang; Pan, Renming; Yang, Jun; Dalton transactions (Cambridge, England : 2003) 45 (2016) 15644–15650; doi:10.1039/c6dt03239g

data_7040527
_publ_section_title
;
 Novel dinitromethyl-featured polynitro energetic salts.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15644
_journal_page_last               15650
_journal_paper_doi               10.1039/c6dt03239g
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C5 H12 N9 O10.5'
_chemical_formula_weight         366.23
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2016-06-13 deposited with the CCDC.
2016-08-31 downloaded from the CCDC.
;
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0376
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0837P)^2^+0.1099P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1579
_refine_ls_wR_factor_ref         0.1805
_reflns_Friedel_coverage         0.000
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03239g2.cif
_cod_data_source_block           cd15340
_cod_depositor_comments
;Adding full bibliography for 7040527.cif.

 Adding full bibliography for 7040527.cif.
;
_cod_database_code               7040527
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