Information card for entry 1574174

Structure parameters

• Common name: H-H
• Chemical name: H-H
• Formula: C22 H24 B10
• Calculated formula: C22 H24 B10
• SMILES: [C]1234([C]567(c8ccccc8)[BH]891[BH]1%105[BH]5%116[BH]627[BH]273[BH]348[BH]491[BH]173[BH]562[BH]%10%1141)c1c2c(cc3c1cccc3)cccc2
• 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: 11.896 ± 0.006 Å
• b: 12.504 ± 0.006 Å
• c: 14.801 ± 0.007 Å
• α: 90°
• β: 99.23 ± 0.007°
• γ: 90°
• Cell volume: 2173.1 ± 1.8 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.1913
• Residual factor for significantly intense reflections: 0.1187
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No