Information card for entry 4088345

Structure parameters

• Formula: C20 H27 Cl N2 Ti
• Calculated formula: C20 H27 Cl N2 Ti
• SMILES: [Ti]12345(Cl)([c]6([cH]1[cH]2[cH]3[cH]46)C(C)(C)C(C)(C)C(=N5)c1ccccc1)N(C)C
• Title of publication: Group 4 Metal Complexes of Chelating Cyclopentadienyl-ketimide Ligands
• Authors of publication: Večeřa, Miloš; Varga, Vojtech; Císařová, Ivana; Pinkas, Jiří; Kucharczyk, Pavel; Sedlařík, Vladimír; Lamač, Martin
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 785
• a: 9.492 ± 0.0003 Å
• b: 10.2189 ± 0.0004 Å
• c: 10.52 ± 0.0003 Å
• α: 97.84 ± 0.001°
• β: 92.207 ± 0.001°
• γ: 106.896 ± 0.001°
• Cell volume: 963.95 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No