Information card for entry 4105236

Structure parameters

• Formula: C22 H46 Si6 Ti
• Calculated formula: C22 H46 Si6 Ti
• SMILES: [Ti]123456789([Si]([Si](C)(C)C)([Si]1([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Group 4 Metallocene Complexes of Disilenes, Digermenes, and a Silagermene
• Authors of publication: Michaela Zirngast; Michaela Flock; Judith Baumgartner; Christoph Marschner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15952 - 15962
• a: 9.878 ± 0.002 Å
• b: 10.085 ± 0.002 Å
• c: 16.779 ± 0.003 Å
• α: 90.47 ± 0.03°
• β: 90.22 ± 0.03°
• γ: 117.42 ± 0.03°
• Cell volume: 1483.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.17
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No