Information card for entry 7219900

Structure parameters

• Formula: C4 H11 Cl N2 O4
• Calculated formula: C4 H11 Cl N2 O4
• Title of publication: Polar and antiferroelectric behaviour of a hybrid crystal ‒ piperazinium perchlorate
• Authors of publication: Wojtaś, Maciej; Gągor, Anna; Czupiński, Olaf; Piecha-Bisiorek, Anna; Isakov, Dmitry; Medycki, Wojciech; Jakubas, Ryszard
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3171
• a: 7.8955 ± 0.0008 Å
• b: 7.9685 ± 0.001 Å
• c: 12.611 ± 0.002 Å
• α: 84.587 ± 0.014°
• β: 88.678 ± 0.014°
• γ: 76.076 ± 0.01°
• Cell volume: 766.68 ± 0.18 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No