Information card for entry 7242847

Structure parameters

• Formula: C20 H32 Bi2 Br10 N12
• Calculated formula: C20 H32 Bi2 Br10 N12
• Title of publication: Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)
• Authors of publication: Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 17574 - 17586
• a: 9.775 ± 0.004 Å
• b: 9.808 ± 0.004 Å
• c: 11.435 ± 0.005 Å
• α: 76.78 ± 0.02°
• β: 65.46 ± 0.02°
• γ: 82.72 ± 0.02°
• Cell volume: 970.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No