Information card for entry 7708471

Structure parameters

• Common name: 2,2-chloromethyl-5,5-bitetrazole
• Chemical name: 2,2-chloromethyl-5,5-bitetrazole
• Formula: C4 H4 Cl2 N8
• Calculated formula: C4 H4 Cl2 N8
• Title of publication: N-Functionalisation of 5,5′-bistetrazole providing 2,2′-di(azidomethyl)bistetrazole: a melt-castable metal-free green primary explosive
• Authors of publication: Klapötke, Thomas M.; Kofen, Moritz; Stierstorfer, Jörg
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.3693 ± 0.0004 Å
• b: 8.2279 ± 0.0004 Å
• c: 6.7862 ± 0.0003 Å
• α: 90°
• β: 108.194 ± 0.002°
• γ: 90°
• Cell volume: 443.95 ± 0.04 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No