Information card for entry 7010672

Structure parameters

• Common name: [TiCl(CLAlMe3)(C7H12N3)2AlMe2]
• Formula: C19 H39 Al2 Cl2 N6 Ti
• Calculated formula: C19 H39 Al2 Cl2 N6 Ti
• Title of publication: Titanium complexes incorporating bicyclic guanidinate ligands. Structure of a novel titanium‒aluminium complex
• Authors of publication: Coles, Martyn P.; Hitchcock, Peter B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1169
• a: 32.1612 ± 0.0012 Å
• b: 8.7247 ± 0.0006 Å
• c: 22.3495 ± 0.0011 Å
• α: 90°
• β: 120.135 ± 0.003°
• γ: 90°
• Cell volume: 5423.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No