Information card for entry 7710442

Structure parameters

• Formula: C6 H26 B18 Br2
• Calculated formula: C6 H26 B18 Br2
• Title of publication: Benchmarking the dynamic luminescence properties and UV stability of B₁₈H₂₂-based materials.
• Authors of publication: Anderson, Kierstyn P.; Hua, Ash Sueh; Plumley, John B.; Ready, Austin D.; Rheingold, Arnold L.; Peng, Thomas L.; Djurovich, Peter I.; Kerestes, Christopher; Snyder, Neil A.; Andrews, Andrew; Caram, Justin R.; Spokoyny, Alexander M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9223 - 9228
• a: 18.6214 ± 0.0007 Å
• b: 10.4194 ± 0.0003 Å
• c: 10.7159 ± 0.0004 Å
• α: 90°
• β: 99.341 ± 0.002°
• γ: 90°
• Cell volume: 2051.57 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No