Information card for entry 7010367

Structure parameters

• Chemical name: dichloro(2-t-butylphenylimido)(N,N,N',N'-tetramethylethylenediamine)- titanium(IV)
• Formula: C16 H29 Cl2 N3 Ti
• Calculated formula: C16 H29 Cl2 N3 Ti
• SMILES: [Ti]1(Cl)(Cl)(=Nc2c(cccc2)C(C)(C)C)[N](CC[N]1(C)C)(C)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: 15.18 ± 0.0004 Å
• b: 7.5428 ± 0.0002 Å
• c: 17.0488 ± 0.0005 Å
• α: 90°
• β: 90.715 ± 0.001°
• γ: 90°
• Cell volume: 1951.93 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No