Information card for entry 7719589

Structure parameters

• Formula: C12 H18 B10
• Calculated formula: C12 H18 B10
• Title of publication: Photophysical studies on <i>meta</i>- and <i>para</i>-carboranes containing 1-naphthyl groups.
• Authors of publication: Harder, Rachel A.; McGurrell, Thomas D.; MacBride, J. A. Hugh; Böhling, Lena; Brockhinke, Andreas; Yufit, Dmitry S.; Fox, Mark A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 43
• Pages of publication: 16037 - 16048
• a: 13.2718 ± 0.0003 Å
• b: 16.6794 ± 0.0004 Å
• c: 13.6379 ± 0.0003 Å
• α: 90°
• β: 93.92 ± 0.02°
• γ: 90°
• Cell volume: 3011.9 ± 0.14 ų
• Cell temperature: 120.15 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 3
• 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: 0.0703
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No