Information card for entry 4088350

Structure parameters

• Formula: C18 H21 Cl2 N Ti
• Calculated formula: C18 H21 Cl2 N Ti
• SMILES: [Ti]12345([c]6([cH]1[cH]2[cH]3[cH]46)C(C)(C)C(C)(C)C(=N5)c1ccccc1)(Cl)Cl
• 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: 7.0709 ± 0.0002 Å
• b: 13.5193 ± 0.0004 Å
• c: 18.3809 ± 0.0004 Å
• α: 90°
• β: 100.332 ± 0.001°
• γ: 90°
• Cell volume: 1728.61 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No