Information card for entry 7719591

Structure parameters

• Common name: 1,12-bis(1-naphthyl)-p-carborane
• Chemical name: 1,12-bis(1-naphthyl)-1,12-dicarba-closo- dodecaborane
• Formula: C22 H24 B10
• Calculated formula: C22 H24 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: 7.5414 ± 0.0012 Å
• b: 7.9407 ± 0.0013 Å
• c: 17.649 ± 0.003 Å
• α: 90°
• β: 92.147 ± 0.01°
• γ: 90°
• Cell volume: 1056.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 150 ± 0.2 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: 0.1467
• Residual factor for significantly intense reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.2586
• Weighted residual factors for all reflections included in the refinement: 0.2844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No