Information card for entry 4301061

Structure parameters

• Chemical name: [Ti2(NC6F5)2Cl2(mu-Cl)2(NC5H5)4]
• Formula: C32 H20 Cl2 F10 N6 Ti2
• Calculated formula: C32 H20 Cl4 F10 N6 Ti2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)N=[Ti]1([n]2ccccc2)(Cl)([n]2ccccc2)[Cl][Ti](=Nc2c(c(c(c(c2F)F)F)F)F)([n]2ccccc2)([n]2ccccc2)(Cl)[Cl]1
• 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: 7.2324 ± 0.0002 Å
• b: 18.1474 ± 0.0005 Å
• c: 13.7813 ± 0.0003 Å
• α: 90°
• β: 103.425 ± 0.001°
• γ: 90°
• Cell volume: 1759.36 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0407
• Goodness-of-fit parameter for significantly intense reflections: 0.4836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No