Information card for entry 7042507

Structure parameters

• Common name: lithium dinitramino-5,5-bitetrazolate monohydrate
• Chemical name: lithium dinitramino-5,5-bitetrazolate monohydrate
• Formula: C H2 Li N6 O3
• Calculated formula: C H2 Li N6 O3
• Title of publication: Metal salts and complexes of 1,1'-dinitramino-5,5'-bitetrazole.
• Authors of publication: Szimhardt, Norbert; Bölter, Marc F; Born, Maximilian; Klapötke, Thomas M; Stierstorfer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 5033 - 5040
• a: 8.276 ± 0.0009 Å
• b: 10.814 ± 0.0008 Å
• c: 6.065 ± 0.0004 Å
• α: 90°
• β: 106.073 ± 0.01°
• γ: 90°
• Cell volume: 521.58 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No