Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance
Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming; Journal of Materials Chemistry A 7 (2019) 4611–; doi:10.1039/C8TA12506F

data_7237262
_publ_section_title
;
 Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver:
 towards primary explosives with positive oxygen balance and excellent
 energetic performance
;
_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              4611
_journal_paper_doi               10.1039/C8TA12506F
_journal_volume                  7
_journal_year                    2019
_chemical_formula_moiety         'C4 H8 Ag7 N23 O9'
_chemical_formula_sum            'C4 H8 Ag7 N23 O9'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2018-12-28 deposited with the CCDC.
2019-01-24 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'PHOTON 100 CMOS detector'
_diffrn_measurement_method       'omega scan'
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_diffrn_source                   'sealed tube'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_density_diffrn    3.647
_exptl_crystal_description       plate
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(16)
_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^)+(0.1077P)^2^+6.6591P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         1.000
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_reflns_Friedel_fraction_max     0.997
_reflns_number_gt                3477
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8ta12506f2.cif
_cod_data_source_block           1_CCDC4
_cod_database_code               7237262
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.592
_shelx_estimated_absorpt_t_max   0.844
_shelx_res_checksum              4564