Information card for entry 7714048

Structure parameters

• Chemical name: 4(N,N-dimethylamino)pyridinium iodobismuthate
• Formula: C28 H44 Bi2 I10 N8
• Calculated formula: C28 H44 Bi2 I10 N8
• Title of publication: Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes
• Authors of publication: Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 17.9971 ± 0.0006 Å
• b: 20.3282 ± 0.0007 Å
• c: 13.9362 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5098.5 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No