Information card for entry 4003496

Structure parameters

• Formula: C21 H30 Bi2 I10 N3
• Calculated formula: C21 H30 Bi2 I10 N3
• Title of publication: Bismuth-Based Zero-Dimensional Perovskite-like Materials: Effect of Benzylammonium on Dielectric Confinement and Photoconductivity
• Authors of publication: Pious, Johnpaul K.; Muthu, Chinnadurai; Dani, Selgiya; Saeki, Akinori; Nair, Vijayakumar C.
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 8.396 ± 0.0007 Å
• b: 23.11 ± 0.002 Å
• c: 22.285 ± 0.002 Å
• α: 90°
• β: 90.626 ± 0.003°
• γ: 90°
• Cell volume: 4323.7 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No