Information card for entry 4000606

Structure parameters

• Common name: Diaminoguanidinium azotetrazolate monohydrate
• Formula: C4 H16 N18 O
• Calculated formula: C4 H16 N18 O
• SMILES: [n-]1nc(N=Nc2nn[n-]n2)nn1.NNC(=[NH2+])N.NNC(=[NH2+])N.O
• Title of publication: Azidoformamidinium and Guanidinium 5,5'-Azotetrazolate Salts
• Authors of publication: Hiskey, Michael A.; Hammerl, Anton; Holl, Gerhard; Klapötke, Thomas M.; Polborn, Kurt; Stierstorfer, Jörg; Weigand, Jan J.
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• a: 19.421 ± 0.004 Å
• b: 3.7296 ± 0.0007 Å
• c: 20.57 ± 0.004 Å
• α: 90°
• β: 108.14 ± 0.03°
• γ: 90°
• Cell volume: 1415.9 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No