Information card for entry 7242844

Structure parameters

• Formula: C8 H10 Bi Br5 N4 S2
• Calculated formula: C8 H10 Bi Br5 N4 S2
• 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: 5.752 ± 0.004 Å
• b: 15.263 ± 0.005 Å
• c: 10.633 ± 0.004 Å
• α: 90°
• β: 104.77 ± 0.02°
• γ: 90°
• Cell volume: 902.7 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No