Information card for entry 7212356

Structure parameters

• Formula: C40 H54 Bi Cl7 N4 O5
• Calculated formula: C40 H54 Bi Cl7 N4 O5
• SMILES: [Bi](Cl)(Cl)(Cl)([Cl-])([Cl-])[Cl-].c1cc(c2c(ccc(c2)OC)[nH+]1)[C@H]([C@@H]1C[C@@H]2CC[NH+]1C[C@@H]2C=C)O.c1cc(c2c(ccc(c2)OC)[nH+]1)[C@H]([C@@H]1C[C@@H]2CC[NH+]1C[C@@H]2C=C)O.[Cl-].O
• Title of publication: The first homochiral compound with temperature-independence of piezoelectric properties
• Authors of publication: Cai, Hong-Ling; Zhang, Tong; Chen, Li-Zhuang; Xiong, Ren-Gen
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2010
• Journal volume: 20
• Journal issue: 10
• Pages of publication: 1868
• a: 9.2119 ± 0.0018 Å
• b: 11.087 ± 0.002 Å
• c: 11.866 ± 0.002 Å
• α: 85.7 ± 0.03°
• β: 76.62 ± 0.03°
• γ: 72.83 ± 0.03°
• Cell volume: 1126.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No