Information card for entry 2215199

Structure parameters

• Chemical name: Hydrazinediium bis(3,5,6-tricarboxypyrazine-2-carboxylate) hexahydrate
• Formula: C16 H24 N6 O22
• Calculated formula: C16 H24 N6 O22
• SMILES: c1(c(nc(c(n1)C(=O)O)C(=O)[O-])C(=O)O)C(=O)O.[NH3+][NH3+].O.O.O.c1(c(C(=O)O)nc(c(n1)C(=O)O)C(=O)[O-])C(=O)O.O.O.O
• Title of publication: Hydrazinediium bis(3,5,6-tricarboxypyrazine-2-carboxylate) hexahydrate
• Authors of publication: Starosta, Wojciech; Leciejewicz, Janusz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3734 - o3734
• a: 7.3871 ± 0.0015 Å
• b: 9.3453 ± 0.0019 Å
• c: 9.4942 ± 0.0019 Å
• α: 82.93 ± 0.03°
• β: 83.73 ± 0.03°
• γ: 72.24 ± 0.03°
• Cell volume: 617.7 ± 0.2 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: 0.0675
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes