Information card for entry 2006423

Structure parameters

• Formula: C6 H14 N8 O4
• Calculated formula: C6 H14 N8 O4
• SMILES: [O-]C1=C([O-])C(=O)C1=O.NNC(=[NH2+])N.NNC(=[NH2+])N
• Title of publication: Aminoguanidinium Squarate
• Authors of publication: Kolev, Tsonko; .; Glavcheva, Zornitza; .; Stahl, Rainer; .; Preut, Hans; .; Bleckmann, Paul; .; Radomirska, Valentina; .
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: IUC9700010
• a: 4.093 ± 0.001 Å
• b: 11.438 ± 0.002 Å
• c: 12.365 ± 0.002 Å
• α: 90°
• β: 90.73 ± 0.03°
• γ: 90°
• Cell volume: 578.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.0819
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No