Information card for entry 2223989

Structure parameters

• Chemical name: [1-Dimethylsilyl-2-phenyl-3-(η^5^-tetramethylcyclopentadienyl)prop-1-en-1-yl- κ<i>C</i>^1^](η^5^-pentamethylcyclopentadienyl)titanium(III)
• Formula: C30 H41 Si Ti
• Calculated formula: C30 H41 Si Ti
• SMILES: [c]123[c]4([c]5([c]6([c]1(C)[Ti]17893456([c]3([c]9([c]8([c]7([c]13C)C)C)C)C)C(=C(C2)c1ccccc1)[SiH](C)C)C)C)C
• Title of publication: [1-Dimethylsilyl-2-phenyl-3-(η^5^-tetramethylcyclopentadienyl)prop-1-en-1-yl-κ<i>C</i>^1^](η^5^-pentamethylcyclopentadienyl)titanium(III)
• Authors of publication: Lamač, Martin; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1481
• a: 16.4143 ± 0.0003 Å
• b: 11.6194 ± 0.0003 Å
• c: 28.0315 ± 0.0005 Å
• α: 90°
• β: 94.856 ± 0.001°
• γ: 90°
• Cell volume: 5327.1 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.772
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes