Information card for entry 2217399

Structure parameters

• Chemical name: Hydrazinediium bis(6-carboxypyridazine-3-carboxylate) dihydrate
• Formula: C12 H16 N6 O10
• Calculated formula: C12 H16 N6 O10
• SMILES: C(=O)(c1ccc(C(=O)[O-])nn1)O.[NH3+][NH3+].O.c1(ccc(C(=O)[O-])nn1)C(=O)O.O
• Title of publication: Hydrazinediium bis(6-carboxypyridazine-3-carboxylate) dihydrate
• Authors of publication: Wojciech Starosta; Janusz Leciejewicz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o461 - o461
• a: 5.1727 ± 0.001 Å
• b: 6.6257 ± 0.0013 Å
• c: 12.271 ± 0.003 Å
• α: 102.08 ± 0.03°
• β: 93.92 ± 0.03°
• γ: 107.44 ± 0.03°
• Cell volume: 388.45 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes