Information card for entry 2221768

Structure parameters

• Chemical name: Piperazinediium dioxamate
• Formula: C8 H16 N4 O6
• Calculated formula: C8 H16 N4 O6
• SMILES: C(=O)([O-])C(=O)N.C1[NH2+]CC[NH2+]C1.C(=O)(C(=O)N)[O-]
• Title of publication: Piperazinediium dioxamate
• Authors of publication: Murugavel, S.; Selvakumar, R.; Govindarajan, S.; Kannan, P. S.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1004
• a: 6.4323 ± 0.0004 Å
• b: 6.7681 ± 0.0004 Å
• c: 13.0032 ± 0.0007 Å
• α: 90°
• β: 94.488 ± 0.002°
• γ: 90°
• Cell volume: 564.35 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes