Information card for entry 1529385

Structure parameters

• Formula: C H3 Li N6 O3
• Calculated formula: C H3 Li N6 O3
• Title of publication: Crystal and molecular structure of the nitramino derivatives of tetrazole and 1,2,4-triazole. III. 5-nitraminotetrazole lithium salt monohydrate
• Authors of publication: A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; A.M. Sirotinin; R.S. Stepanov
• Journal of publication: Journal of Structural Chemistry
• Year of publication: 2004
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 360 - 364
• a: 8.3789 ± 0.0005 Å
• b: 10.1872 ± 0.0006 Å
• c: 6.6709 ± 0.0005 Å
• α: 90°
• β: 106.629 ± 0.006°
• γ: 90°
• Cell volume: 545.6 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54056 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes