Information card for entry 4088356

Structure parameters

• Formula: C26 H40 Cl N Zr
• Calculated formula: C26 H40 Cl N Zr
• SMILES: [Zr]123456789([c]%10([cH]4[cH]3[cH]2[cH]1%10)C(C)(C)C(C)(C)C(=N5)C(C)(C)C)([c]1([c]9([c]8([c]7([c]61C)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: 8.385 ± 0.0004 Å
• b: 19.5777 ± 0.001 Å
• c: 15.0751 ± 0.0007 Å
• α: 90°
• β: 95.63 ± 0.002°
• γ: 90°
• Cell volume: 2462.8 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No