Asymmetric nitrogen-rich energetic materials resulting from the combination of tetrazolyl, dinitromethyl and (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan.
Liu, Yingle; He, Chunlin; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.; Dalton transactions (Cambridge, England : 2003) 47 (2018) 16558–16566; doi:10.1039/c8dt03616k

data_7047922
_publ_section_title
;
 Asymmetric nitrogen-rich energetic materials resulting from the
 combination of tetrazolyl, dinitromethyl and
 (1,2,4-oxadiazol-5-yl)nitroamino groups with furoxan.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16558
_journal_page_last               16566
_journal_paper_doi               10.1039/c8dt03616k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C5 N8 O9, K, N2 H5'
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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   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-07 deposited with the CCDC.
2018-10-30 downloaded from the CCDC.
;
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;
Bruker SAINT v8.34A (Bruker, 2013), Bruker XPREP v2014/2 (Bruker, 2014)
;
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_diffrn_ambient_temperature      293(2)
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_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
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_diffrn_reflns_limit_l_min       -22
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_refine_ls_extinction_method     none
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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^)+(0.0400P)^2^+0.3525P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.0834
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3098
_reflns_number_total             3815
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7047922--7047925.cif.'
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_shelx_estimated_absorpt_t_min   0.907
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