Information card for entry 4079669

Structure parameters

• Formula: C19 H26 Si Ti
• Calculated formula: C19 H26 Si Ti
• SMILES: [Ti]123456789%10%11C%12([Si](C[c]%137[c]8([c]9([c]%10([c]%11%13C)C)C)C)(C)C)[CH]1=[CH]2[CH]3=[CH]4[CH]5=[CH]6%12
• Title of publication: Mono- and Dilithiation of [(η7-C7H7)Ti(η5-C5Me5)] (Pentamethyltroticene) for the Synthesis of Troticenyl Monophosphanes and [2]Troticenophanes with C‒P and C‒Si Bridges
• Authors of publication: Tagne Kuate, Alain C.; Mohapatra, Swagat K.; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8544
• a: 14.2913 ± 0.0002 Å
• b: 11.3559 ± 0.0002 Å
• c: 10.8545 ± 0.0002 Å
• α: 90°
• β: 98.416 ± 0.002°
• γ: 90°
• Cell volume: 1742.61 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No