Information card for entry 4349293

Structure parameters

• Formula: C49 H50 Al B Cl F18 N O4
• Calculated formula: C49 H50 Al B Cl F18 N O4
• Title of publication: Cp*-Substituted Boron Cations: The Effect of NHC, NHO, and CAAC Ligands.
• Authors of publication: Huang, Jih-Sheng; Lee, Wan-Hua; Shen, Chao-Tang; Lin, Ya-Fan; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Ching-Wen
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12427 - 12434
• a: 16.1155 ± 0.0004 Å
• b: 23.2575 ± 0.0006 Å
• c: 16.1766 ± 0.0004 Å
• α: 90°
• β: 97.445 ± 0.002°
• γ: 90°
• Cell volume: 6012 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.2946
• Residual factor for significantly intense reflections: 0.2292
• Weighted residual factors for significantly intense reflections: 0.5247
• Weighted residual factors for all reflections included in the refinement: 0.5523
• Goodness-of-fit parameter for all reflections included in the refinement: 3.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No