Information card for entry 4105998

Structure parameters

• Formula: C61 H101 Sn4 Ti2
• Calculated formula: C61 H101 Sn4 Ti2
• Title of publication: Selective Dilithiation of [Ti(η5-C5H5)(η8-C8H8)] and Subsequent Conversion into Neutral and Cationic ansa-Complexes
• Authors of publication: Holger Braunschweig; Marco Fuss; Thomas Kupfer; Krzysztof Radacki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 5780 - 5783
• a: 18.371 ± 0.0013 Å
• b: 10.5472 ± 0.0007 Å
• c: 32.222 ± 0.002 Å
• α: 90°
• β: 100.328 ± 0.003°
• γ: 90°
• Cell volume: 6142.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No