Information card for entry 4071210

Structure parameters

• Formula: C27 H42 Si4 Ti
• Calculated formula: C27 H42 Si4 Ti
• SMILES: [Ti]123456789([cH]%10[cH]1[cH]2[cH]4[cH]3%10)([cH]1[cH]5[cH]6[cH]7[cH]81)C(=C9c1ccccc1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes
• Authors of publication: Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2570
• a: 11.335 ± 0.004 Å
• b: 10.597 ± 0.003 Å
• c: 12.796 ± 0.004 Å
• α: 90°
• β: 94.356 ± 0.005°
• γ: 90°
• Cell volume: 1532.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No