Information card for entry 7104740

Structure parameters

• Formula: C63 H129 K2 O15 Si9 Ti
• Calculated formula: C63 H129 K2 O15 Si9 Ti
• SMILES: [Si]1([Si]([Si]([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[Ti]234567891([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.O1CCOCCOCCOCCOCCOCC1.[cH-]1cccc1
• Title of publication: Oligosilylated group 4 titanocenes in the oxidation state +3.
• Authors of publication: Zirngast, Michaela; Flörke, Ulrich; Baumgartner, Judith; Marschner, Christoph
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5538 - 5540
• a: 11.572 ± 0.002 Å
• b: 34.572 ± 0.007 Å
• c: 21.52 ± 0.004 Å
• α: 90°
• β: 102.46 ± 0.03°
• γ: 90°
• Cell volume: 8407 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0962
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No