Information card for entry 4103371

Structure parameters

• Chemical name: bis(dihydrazinylmethaniminium) ((5E,5'E)-4,4'-(ethane-1,2-diylbis(oxy)) bis(5-(nitroimino)-4,5-dihydrotetrazol-1-ide))
• Formula: C6 H20 N22 O6
• Calculated formula: C6 H20 N22 O6
• SMILES: n1(nnnc1N=N([O-])=O)OCCOn1nnnc1N=N([O-])=O.C(=[NH2+])(NN)NN.C(=[NH2+])(NN)NN
• 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: 7.5429 ± 0.0005 Å
• b: 8.9642 ± 0.0006 Å
• c: 15.2214 ± 0.0011 Å
• α: 80.376 ± 0.002°
• β: 82.322 ± 0.002°
• γ: 77.146 ± 0.002°
• Cell volume: 984.31 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No