Information card for entry 7701282

Structure parameters

• Formula: C10 H9 Bi Br2 I4 N2 O
• Calculated formula: C10 H9 Bi Br2 I4 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: 16.8894 ± 0.0012 Å
• b: 16.2437 ± 0.0011 Å
• c: 7.7193 ± 0.0005 Å
• α: 90°
• β: 108.266 ± 0.002°
• γ: 90°
• Cell volume: 2011.1 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 7
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No