Information card for entry 2206237

Structure parameters

• Chemical name: (μ~2~-chloro)(μ~2~-η^2^-2-tert-butyl-ethyn-1-yl)- bis[bis(η~5~-cyclopentadienyl)dimethylsilane]dititanium(II)
• Formula: C30 H37 Cl Si2 Ti2
• Calculated formula: C30 H37 Cl Si2 Ti2
• Title of publication: (μ~2~-η^2^-2-<i>tert</i>-Butylethyn-1-yl)(μ~2~-chloro)bis{[bis(η^5^-cyclopentadienyl)dimethylsilane]titanium}
• Authors of publication: Kooijman, Huub; Hogenbirk, Marijke; Schat, Gerrit; Akkerman, Otto S.; Bickelhaupt, Friedrich; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1329 - m1331
• a: 9.381 ± 0.004 Å
• b: 11.552 ± 0.003 Å
• c: 14.12 ± 0.004 Å
• α: 80.18 ± 0.02°
• β: 83.89 ± 0.03°
• γ: 74.93 ± 0.03°
• Cell volume: 1452.8 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1344
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes