Information card for entry 4301060

Structure parameters

• Chemical name: Ti(N-2-C6H4tBu)Cl2(NHMe2)2
• Formula: C16.5 H33 Cl2 N3 Ti
• Calculated formula: C16.5 H33 Cl2 N3 Ti
• Title of publication: New Titanium Imido Synthons: Syntheses and Supramolecular Structures
• Authors of publication: Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2882 - 2894
• a: 10.5572 ± 0.0002 Å
• b: 11.441 ± 0.0003 Å
• c: 18.3161 ± 0.0005 Å
• α: 90°
• β: 96.8053 ± 0.001°
• γ: 90°
• Cell volume: 2196.72 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0642
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for all reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No