Information card for entry 7718268

Structure parameters

• Formula: C49 H57 Bi2 Br12 N3 O
• Calculated formula: C49 H57 Bi2 Br12 N3 O
• Title of publication: Ferroelectricity and piezoelectric energy harvesting of an A₃M₂X₉-type 0D bromobismuthate hybrid with a bulky organic quaternary amine.
• Authors of publication: Meena, Namonarayan; Sahoo, Supriya; Deka, Nilotpal; Gadagin, Vinayak B.; Zaręba, Jan K; Boomishankar, Ramamoorthy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 2985 - 2990
• a: 28.88 ± 0.007 Å
• b: 12.092 ± 0.003 Å
• c: 18.54 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6474 ± 3 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No