Information card for entry 4103372

Structure parameters

• Chemical name: bis(dihydrazinylmethaniminium) (5Z,5'Z)-4,4'-(ethane-1,2-diyl)bis(5- (nitroimino)-4,5-dihydrotetrazol-1-ide) dihydrate
• Formula: C6 H24 N22 O6
• Calculated formula: C6 H24 N22 O6
• SMILES: n1(nnnc1N=N([O-])=O)CCn1nnnc1N=N([O-])=O.C(=[NH2+])(NN)NN.C(=[NH2+])(NN)NN.O.O
• Title of publication: Nitroimino-tetrazolates and Oxy-nitroimino-tetrazolates
• Authors of publication: Young-Hyuk Joo; Jean'ne M. Shreeve
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15081 - 15090
• a: 14.251 ± 0.002 Å
• b: 12.9147 ± 0.0019 Å
• c: 11.0418 ± 0.0017 Å
• α: 90°
• β: 91.008 ± 0.002°
• γ: 90°
• Cell volume: 2031.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0432
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No