Information card for entry 7000308

Structure parameters

• Formula: C21 H24 Br2 N2 Si
• Calculated formula: C21 H24 Br2 N2 Si
• SMILES: Br[Si]1(Br)N(C(=C)C=C(N1c1c(cccc1C)C)C)c1c(cccc1C)C
• Title of publication: Twice silicon-induced C‒H activation and tautomerisation of a β-diketiminato ligand and formation of new types of N-heterocyclic silanes
• Authors of publication: Xiong, Yun; Yao, Shenglai; Driess, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 421 - 423
• a: 18.768 ± 0.0004 Å
• b: 7.8976 ± 0.0002 Å
• c: 14.2285 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2108.98 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No