Information card for entry 4301057

Structure parameters

• Chemical name: Ti(NC6F5)Cl2(NHMe2)2
• Formula: C10 H14 Cl2 F5 N3 Ti
• Calculated formula: C10 H14 Cl2 F5 N3 Ti
• SMILES: c1(N=[Ti]([NH](C)C)([NH](C)C)(Cl)Cl)c(c(c(F)c(c1F)F)F)F
• 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: 15.696 ± 0.003 Å
• b: 15.569 ± 0.001 Å
• c: 6.7371 ± 0.0009 Å
• α: 90°
• β: 109.69 ± 0.02°
• γ: 90°
• Cell volume: 1550.1 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0778
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No