Information card for entry 7242853

Structure parameters

• Formula: C8 H12 Bi Br5 N6
• Calculated formula: C8 H12 Bi Br5 N6
• 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: 7.8733 ± 0.0003 Å
• b: 11.4038 ± 0.0005 Å
• c: 11.618 ± 0.0005 Å
• α: 115.801 ± 0.005°
• β: 96.295 ± 0.003°
• γ: 98.857 ± 0.003°
• Cell volume: 909.46 ± 0.08 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: 0.0648
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No