Information card for entry 2005260

Structure parameters

• Formula: C2 H12 N8 O4
• Calculated formula: C2 H14 N8 O4
• SMILES: C(N=N([O-])=O)CN=N([O-])=O.[NH3+]N.[NH3+]N
• Title of publication: Bis(hydrazinium) <i>N</i>,<i>N</i>'-Dinitroethylenediaminate(2 ‒)
• Authors of publication: Bircher, H.-R.; Ochsenbein, P.; Hauser, J.; Bürgi, H.-B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 2002 - 2004
• a: 5.432 ± 0.001 Å
• b: 3.769 ± 0.001 Å
• c: 21.959 ± 0.004 Å
• α: 90°
• β: 95.66 ± 0.03°
• γ: 90°
• Cell volume: 447.38 ± 0.17 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: 0.0482
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for all reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.0897
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No