Information card for entry 4100628

Structure parameters

• Formula: C35 H64 N2 O3 W2
• Calculated formula: C35 H64 N2 O3 W2
• SMILES: [WH]1234([WH]5678(N=O)(CC(C)(C)C)[c]9(C)[c]5(C)[c]6(C)[c]8([c]79C)C)(N=O)([c]5([c]2(C)[c]4([c]1([c]35C)C)C)C)C1CCCCC1.O(CC)CC
• Title of publication: 1,5-Diamino-4-methyltetrazolium dinitramide
• Authors of publication: Thomas M. Klapoẗke; Peter Mayer; Axel Schulz; Jan J. Weigand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 9.2317 ± 0.0001 Å
• b: 11.5165 ± 0.0002 Å
• c: 17.5796 ± 0.0003 Å
• α: 85.575 ± 0.001°
• β: 89.308 ± 0.001°
• γ: 89.733 ± 0.001°
• Cell volume: 1863.29 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No