Information card for entry 4102171

Structure parameters

• Formula: C28 H32 Si2 Ti
• Calculated formula: C28 H32 Si2 Ti
• SMILES: C1(=C([Si](C)(c2ccccc2)c2ccccc2)[Ti]234567891([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91)[Si](C)(C)C
• Title of publication: Si-H Bond Activation of Alkynylsilanes by Group 4 Metallocene Complexes
• Authors of publication: Martin Lamač; Anke Spannenberg; Wolfgang Baumann; Haijun Jiao; Christine Fischer; Sven Hansen; Perdita Arndt; Uwe Rosenthal
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4369 - 4380
• a: 8.5394 ± 0.0004 Å
• b: 10.3251 ± 0.0005 Å
• c: 16.5699 ± 0.0008 Å
• α: 94.324 ± 0.004°
• β: 101.046 ± 0.003°
• γ: 114.318 ± 0.003°
• Cell volume: 1287.09 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No