Information card for entry 4071456

Structure parameters

• Formula: C28 H33 Cl2 N2 O V
• Calculated formula: C28 H33 Cl2 N2 O V
• SMILES: [V]1(Cl)(Cl)(Oc2c(cccc2C)C=[N]1c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C)C
• Title of publication: Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization
• Authors of publication: Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2590
• a: 11.2178 ± 0.0004 Å
• b: 14.2133 ± 0.0004 Å
• c: 16.9951 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2709.73 ± 0.16 ų
• Cell temperature: 243.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No