Information card for entry 2311366

Structure parameters

• Chemical name: [μ-1(η^5^)-(Adamantan-1-yl-2κ<i>C</i>^1^)cycylopentadienyl]di-μ~2~-methyl-methyl-2κ<i>C</i>-[1(η^5^)-pentamethylcyclopentadienyl]-aluminiumtitanium(III)
• Formula: C28 H42 Al Ti
• Calculated formula: C28 H42 Al Ti
• SMILES: [Ti]123456789%10([CH3][Al](C%11([c]5%12[cH]6[cH]7[cH]8[cH]9%12)C5CC6CC%11CC(C5)C6)([CH3]%10)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: Crystal structures of titanium-aluminium and -gallium complexes bearing two <i>μ₂</i> -CH₃ units.
• Authors of publication: Oswald, Tim; Diekmann, Mira; Frey, Annika; Schmidtmann, Marc; Beckhaus, Rüdiger
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 691 - 693
• a: 12.1618 ± 0.0005 Å
• b: 19.8355 ± 0.0008 Å
• c: 10.0403 ± 0.0006 Å
• α: 90°
• β: 91.417 ± 0.006°
• γ: 90°
• Cell volume: 2421.3 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No