Information card for entry 1551318

Structure parameters

• Chemical name: quinuclidinium perrhenate
• Formula: C7 H14 N O4 Re
• Calculated formula: C7.9992 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: 6.3881 ± 0.0011 Å
• b: 6.3881 ± 0.0011 Å
• c: 6.3881 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 260.68 ± 0.08 ų
• Cell temperature: 380 K
• Ambient diffraction temperature: 380 K
• Number of distinct elements: 5
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No