Information card for entry 4064116

Structure parameters

• Formula: C48 H96 Al4
• Calculated formula: C48 H96 Al4
• Title of publication: Reactions of Five-Membered Metallacyclocumulenes Cp2M(η4-t-Bu-C4-t-Bu) (M = Ti, Zr) with Diisobutylaluminum Hydride
• Authors of publication: Burlakov, Vladimir V.; Kaleta, Katharina; Beweries, Torsten; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Shur, Vladimir B.; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 5
• Pages of publication: 1157
• a: 9.1515 ± 0.0004 Å
• b: 11.573 ± 0.0005 Å
• c: 14.0031 ± 0.0006 Å
• α: 112.794 ± 0.003°
• β: 104.407 ± 0.003°
• γ: 90.464 ± 0.003°
• Cell volume: 1315.16 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No