Information card for entry 7011783

Structure parameters

• Formula: C19.5 H25 Cl3 N4 Ti
• Calculated formula: C19.5 H25 Cl3 N4 Ti
• SMILES: [Ti](Cl)(Cl)(=NC(C)(C)C)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.C(Cl)Cl
• Title of publication: Titanium imido complexes as precursors to titanium nitride
• Authors of publication: Carmalt, Claire J.; Newport, Anne C.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 21
• Pages of publication: 4055
• a: 16.8801 ± 0.0009 Å
• b: 9.2147 ± 0.0003 Å
• c: 29.0003 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4510.9 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.0805
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No