Information card for entry 1576303

Structure parameters

• Formula: C56 H66 B10 P2
• Calculated formula: C56 H66 B10 P2
• Title of publication: Raising the HOMO level of the [closo-B10H10]2− anion: apical alkyl derivatives for modern materials
• Authors of publication: Jakubowski, Rafał; Ogunmola, Kehinde; Hietsoi, Oleksandr; Friedli, Andrienne C.; Shaughnessy, Kevin H.; Kaszyński, Piotr
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 10.6197 ± 0.0001 Å
• b: 11.5274 ± 0.0001 Å
• c: 21.5302 ± 0.0003 Å
• α: 92.646 ± 0.001°
• β: 92.854 ± 0.001°
• γ: 101.757 ± 0.001°
• Cell volume: 2572.9 ± 0.05 ų
• Cell temperature: 99.9 ± 0.8 K
• Ambient diffraction temperature: 99.9 ± 0.8 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No