Information card for entry 7225857

Structure parameters

• Common name: piperazine monohydrate
• Formula: C4 H12 N2 O
• Calculated formula: C4 H12 N2 O
• Title of publication: Crystalline products of CO2capture by piperazine aqueous solutions
• Authors of publication: Fonari, Marina S.; Antal, Sofia; Castañeda, Raúl; Ordonez, Carlos; Timofeeva, Tatiana V.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 33
• Pages of publication: 6282
• a: 9.856 ± 0.003 Å
• b: 6.681 ± 0.002 Å
• c: 9.172 ± 0.003 Å
• α: 90°
• β: 108.778 ± 0.004°
• γ: 90°
• Cell volume: 571.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No