Information card for entry 7242843

Structure parameters

• Formula: C5 H11 Br5 N3 O Sb
• Calculated formula: C5 H11 Br5 N3 O Sb
• 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: 11.296 ± 0.004 Å
• b: 8.333 ± 0.003 Å
• c: 16.662 ± 0.004 Å
• α: 90°
• β: 108.1 ± 0.02°
• γ: 90°
• Cell volume: 1490.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No