Information card for entry 7029283

Structure parameters

• Formula: C26 H44 B20 N2
• Calculated formula: C26 H44 B20 N2
• Title of publication: Through-space charge transfer and emission color tuning of di-o-carborane substituted benzene.
• Authors of publication: Bae, Hye Jin; Kim, Hyungjun; Lee, Kang Mun; Kim, Taewon; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 13
• Pages of publication: 4978 - 4985
• a: 17.77 ± 0.004 Å
• b: 13.153 ± 0.003 Å
• c: 15.181 ± 0.004 Å
• α: 90°
• β: 102.535 ± 0.01°
• γ: 90°
• Cell volume: 3463.7 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0931
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No