Information card for entry 1574179

Structure parameters

• Chemical name: H-H
• Formula: C22 H24 B10
• Calculated formula: C22 H24 B10
• SMILES: [C]1234(c5ccccc5)[BH]567[C]891(c1c%10c(cc%11c1cccc%11)cccc%10)[BH]1%104[BH]4%113[BH]325[BH]257[BH]769[BH]681[BH]1%104[BH]276[BH]%11351
• Title of publication: Solid-state temperature-dependent luminescence of C,C′-diaryl-o-carboranes based on restriction of excited-state structural relaxation
• Authors of publication: Yuhara, Kazuhiro; Tanaka, Kazuo
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 6495 - 6506
• a: 11.91 ± 0.003 Å
• b: 12.514 ± 0.003 Å
• c: 14.838 ± 0.003 Å
• α: 90°
• β: 99.142 ± 0.003°
• γ: 90°
• Cell volume: 2183.4 ± 0.9 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No