Dinitromethyltetrazole (DNMT)-based energetic coordination polymers (ECPs) as lead-free primary explosives and laser initiators
Guo, Jinkun; Huang, Shiliang; Wei, Liyuan; Lang, Qing; Hao, Wenjia; Xu, Yuangang; Liu, Yu; Lu, Ming; New Journal of Chemistry 48 (2024) 18014–18021; doi:10.1039/D4NJ03134B

data_7063480
_publ_section_title
;
 Dinitromethyltetrazole (DNMT)-based energetic coordination polymers
 (ECPs) as lead-free primary explosives and laser initiators
;
_journal_issue                   41
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              18014
_journal_page_last               18021
_journal_paper_doi               10.1039/D4NJ03134B
_journal_volume                  48
_journal_year                    2024
_chemical_formula_moiety         'C2 H5 N6 Na O6, H2 O'
_chemical_formula_sum            'C2 H7 N6 Na O7'
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_audit_update_record
;
2024-09-20 deposited with the CCDC.	2024-09-25 downloaded from the CCDC.
;
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;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0647P)^2^+0.3223P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_coverage         0.000
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           na(dnmt)3h2o
_cod_depositor_comments
'Adding full bibliography for 7063480--7063485.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7063480
_shelx_shelxl_version_number     2017/1
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