Information card for entry 4071351

Structure parameters

• Formula: C27 H40 Cl2 N4 Ti
• Calculated formula: C27 H40 Cl2 N4 Ti
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[Ti]([NH](C)C)(=NC(C)(C)C)(Cl)Cl
• Title of publication: Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes
• Authors of publication: Lorber, Christian; Vendier, Laure
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 12
• Pages of publication: 2774
• a: 16.2363 ± 0.0006 Å
• b: 17.0367 ± 0.0007 Å
• c: 43.781 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12110.4 ± 0.8 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No