Information card for entry 7129310

Structure parameters

• Formula: C39 H29 Al2 B F55 N O6 Si2
• Calculated formula: C39 H29 Al2 B F55 N O6 Si2
• SMILES: [Si]1(N([Si](C)(C)C)B(C)C12C(=C[C+](C=C2C)C)C)(C)C.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)[F][Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
• Title of publication: [Mes-B-TMP]+ Borinium Cation Initiated Cyanosilylation and Catalysed Hydrosilylation of Ketones and Aldehydes
• Authors of publication: Chen, Po-Han; Hsu, Ching-Pei; Tseng, Hsi-Ching; Liu, Yi-Hung; Chiu, Ching-Wen
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 14.8299 ± 0.0005 Å
• b: 17.7594 ± 0.0006 Å
• c: 23.7368 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6251.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2002
• Weighted residual factors for all reflections included in the refinement: 0.2183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No