Information card for entry 4301056

Structure parameters

• Chemical name: Ti(NPh)Cl2(NHMe2)2
• Formula: C10 H19 Cl2 N3 Ti
• Calculated formula: C10 H19 Cl2 N3 Ti
• SMILES: C[NH]([Ti](Cl)([NH](C)C)(=Nc1ccccc1)Cl)C
• 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: 16.26 ± 0.001 Å
• b: 10.303 ± 0.001 Å
• c: 11.935 ± 0.001 Å
• α: 90°
• β: 131.01 ± 0.01°
• γ: 90°
• Cell volume: 1508.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections included in the refinement: 0.0307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No