Information card for entry 1551316

Structure parameters

• Chemical name: quinuclidinium perrhenate
• Formula: C7 H14 N O4 Re
• Calculated formula: C7 H14 N O4 Re
• Title of publication: Directionally tunable and mechanically deformable ferroelectric crystals from rotating polar globular ionic molecules
• Authors of publication: Jun Harada; Takafumi Shimojo; Hideaki Oyamaguchi; Hiroyuki Hasegawa; Yukihiro Takahashi; Koichiro Satomi; Yasutaka Suzuki; Jun Kawamata; Tamotsu Inabe
• Journal of publication: Nature Chemistry
• Year of publication: 2016
• Journal volume: 8
• Pages of publication: 946 - 952
• a: 8.9571 ± 0.0009 Å
• b: 5.9973 ± 0.0006 Å
• c: 9.1546 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 491.77 ± 0.08 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0148
• Residual factor for significantly intense reflections: 0.0147
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No