Information card for entry 7237239

Structure parameters

• Formula: C18 H24 Bi2 I9 N3
• Calculated formula: C18 H24 Bi2 I9 N3
• Title of publication: Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices
• Authors of publication: Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 5957
• a: 15.5976 ± 0.0008 Å
• b: 23.0812 ± 0.0013 Å
• c: 11.0806 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3989.1 ± 0.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.0347
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No