Information card for entry 1574180

Structure parameters

• Common name: T-T
• Chemical name: T-T
• Formula: C30 H28 B10 S2
• Calculated formula: C30 H28 B10 S2
• 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: 11.075 ± 0.004 Å
• b: 19.436 ± 0.008 Å
• c: 13.485 ± 0.005 Å
• α: 90°
• β: 97.585 ± 0.007°
• γ: 90°
• Cell volume: 2877.3 ± 1.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No