Information card for entry 7010363

Structure parameters

• Chemical name: tetra(t-butylamine)bis(t-butylimido)dichloro-di-μ- chloroditatanium(IV)
• Formula: C24 H62 Cl4 N6 Ti2
• Calculated formula: C24 H62 Cl4 N6 Ti2
• SMILES: C(C)(C)(N=[Ti](Cl)([NH2]C(C)(C)C)([NH2]C(C)(C)C)Cl)C
• Title of publication: 2-tert-Butyl and 2-phenylphenylimido complexes of titanium(IV) and their olefin polymerisation activity
• Authors of publication: Nielson, Alastair J.; Glenny, Mark W.; Rickard, Clifton E. F.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 232
• a: 13.6191 ± 0.0002 Å
• b: 10.4143 ± 0.0002 Å
• c: 14.51 ± 0.0001 Å
• α: 90°
• β: 117.733 ± 0.001°
• γ: 90°
• Cell volume: 1821.59 ± 0.05 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No