Information card for entry 7027054

Structure parameters

• Chemical name: [Ti(N-2,6-C6H3Pri2)Cl2(py){1,2-N2(Ph)2C2Me2}]
• Formula: C34 H40 Cl4 N4 Ti
• Calculated formula: C34 H40 Cl4 N4 Ti
• SMILES: [Ti]1(=Nc2c(cccc2C(C)C)C(C)C)([N](=C(C(=[N]1c1ccccc1)C)C)c1ccccc1)([n]1ccccc1)(Cl)Cl.C(Cl)Cl
• Title of publication: Reactions of titanium imido complexes with α-diimines: complexation versus TiN/CN bond metathesis
• Authors of publication: McInnes, Jacqueline M.; Blake, Alexander J.; Mountford, Philip
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 21
• Pages of publication: 3623
• a: 11.093 ± 0.003 Å
• b: 12.533 ± 0.005 Å
• c: 12.687 ± 0.005 Å
• α: 82.49 ± 0.03°
• β: 85.22 ± 0.03°
• γ: 85.28 ± 0.03°
• Cell volume: 1738.1 ± 1.1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.0886
• Goodness-of-fit parameter for significantly intense reflections: 0.8766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No