Information card for entry 4088354

Structure parameters

• Formula: C28 H36 Cl N Ti
• Calculated formula: C28 H36 Cl N Ti
• SMILES: [Ti]123456789([c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C)(C)C(C)(C)C(c1ccccc1)=N9)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)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: 10.89 ± 0.0003 Å
• b: 14.0482 ± 0.0005 Å
• c: 15.8809 ± 0.0005 Å
• α: 90°
• β: 94.102 ± 0.001°
• γ: 90°
• Cell volume: 2423.31 ± 0.13 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: 0.0469
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No