Information card for entry 7228200

Structure parameters

• Common name: N-methylpyrrolidinium hydrogen tartrate (NMPHT)
• Formula: C9 H17 N O6
• Calculated formula: C9 H17 N O6
• Title of publication: N-Methylpyrrolidinium hydrogen tartrate (NMPHT): an above-room-temperature order‒disorder molecular switchable dielectric material
• Authors of publication: Zeb, Aurang; Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Wu, Zhenyue; Zhao, Sangen; Luo, Junhua
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 39
• Pages of publication: 24368
• a: 11.7014 ± 0.0005 Å
• b: 8.7644 ± 0.0003 Å
• c: 12.0457 ± 0.0003 Å
• α: 90°
• β: 107.298 ± 0.004°
• γ: 90°
• Cell volume: 1179.48 ± 0.08 ų
• Cell temperature: 330 ± 2 K
• Ambient diffraction temperature: 330 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2343
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No