Information card for entry 7237492

Structure parameters

• Formula: C32 H30 B10 I2
• Calculated formula: C32 H30 B10 I2
• Title of publication: Photoluminescence in m-carborane‒anthracene triads: a combined experimental and computational study
• Authors of publication: Chaari, Mahdi; Kelemen, Zsolt; Planas, José Giner; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Ben Salah, Abdelhamid; Viñas, Clara; Núñez, Rosario
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 42
• Pages of publication: 11336
• a: 13.111 ± 0.004 Å
• b: 12.617 ± 0.003 Å
• c: 19.401 ± 0.005 Å
• α: 90°
• β: 92.596 ± 0.009°
• γ: 90°
• Cell volume: 3206 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No