Information card for entry 7701279

Structure parameters

• Formula: C12 H12 Bi I5 N2 O
• Calculated formula: C12 H12 Bi I5 N2 O
• Title of publication: Influence of organic cation planarity on structural templating in hybrid metal-halides
• Authors of publication: Oswald, Iain W. H.; Ahn, Hyochul; Neilson, James Richmond
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 8.8873 ± 0.0016 Å
• b: 12.724 ± 0.002 Å
• c: 19.021 ± 0.003 Å
• α: 90°
• β: 98.769 ± 0.005°
• γ: 90°
• Cell volume: 2125.8 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No