Information card for entry 1556329

Structure parameters

• Common name: Compound 2
• Formula: C66 H64 Cl2 N4 O7.5 V2
• Calculated formula: C66 H64 Cl2 N4 O7.5 V2
• Title of publication: Vanadium(iii) phenoxyimine complexes for ethylene or ε-caprolactone polymerization: mononuclear versus binuclear pre-catalysts
• Authors of publication: Clowes, Lucy; Walton, Mark; Redshaw, Carl; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Hughes, David L.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 152
• a: 17.8598 ± 0.0014 Å
• b: 10.775 ± 0.0008 Å
• c: 31.054 ± 0.002 Å
• α: 90°
• β: 101.73 ± 0.004°
• γ: 90°
• Cell volume: 5851.2 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No