Information card for entry 4304268

Structure parameters

• Formula: C24 H48 Cl4 F6 N6 Ti2
• Calculated formula: C24 H48 Cl4 F6 N6 Ti2
• SMILES: C1(N(C(=C(N1C)C)C)C)=[Ti]1([F][Ti](=C2N(C(=C(C)N2C)C)C)([F]1)(F)(F)N(CC)CC)(F)(F)N(CC)CC.C(Cl)Cl.C(Cl)Cl
• Title of publication: Preparation of Ti(IV) Fluoride N-Heterocyclic Carbene Complexes
• Authors of publication: Grigory B. Nikiforov; Herbert W. Roesky; Peter G. Jones; Jörg Magull; Arne Ringe; Rainer B. Oswald
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2171 - 2179
• a: 8.706 ± 0.0006 Å
• b: 9.4675 ± 0.0006 Å
• c: 11.9152 ± 0.0008 Å
• α: 112.235 ± 0.004°
• β: 105.096 ± 0.004°
• γ: 94.226 ± 0.004°
• Cell volume: 861.24 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No