Information card for entry 7714046

Structure parameters

• Common name: 4-cyanopyridinium iodobismuthate
• Formula: C14 H16 Bi2 I8 N4 O
• Calculated formula: C14 H16 Bi2 I8 N4 O
• 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: 14.9874 ± 0.0003 Å
• b: 11.4555 ± 0.0002 Å
• c: 20.4765 ± 0.0005 Å
• α: 90°
• β: 107.648 ± 0.002°
• γ: 90°
• Cell volume: 3350.12 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0796
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No