Information card for entry 2226840

Structure parameters

• Chemical name: Amino(5-{2-[amino(iminio)methyl]hydrazin-1-yl}-3,5-dimethyl-4,5-dihydro- 1<i>H</i>-pyrazol-1-yl)methaniminium dinitrate
• Formula: C7 H18 N10 O6
• Calculated formula: C7 H18 N10 O6
• SMILES: N1(N=C(C[C@]1(NNC(=[NH2+])N)C)C)C(=[NH2+])N.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Amino(5-{2-[amino(iminio)methyl]hydrazin-1-yl}-3,5-dimethyl-4,5-dihydro-1<i>H</i>-pyrazol-1-yl)methaniminium dinitrate
• Authors of publication: Novaković, Sladjana B.; Lalović, Mirjana; Divjaković, Vladimir; Vojinović-Ješić, Ljiljana S.; Češljević, Valerija I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1916 - o1917
• a: 7.5025 ± 0.0002 Å
• b: 13.8946 ± 0.0004 Å
• c: 14.2477 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1485.24 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes