Information card for entry 4325944

Structure parameters

• Common name: Compound 2
• Formula: C120 H154 N8 O6 V2
• Calculated formula: C119.849 H153.547 N8 O6 V2
• Title of publication: Vanadium-Based Pro-Catalysts Bearing Depleted 1,3-Calix[4]arenes for Ethylene or ε-Caprolactone Polymerization
• Authors of publication: Lucy Clowes; Carl Redshaw; David L. Hughes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7838 - 7845
• a: 12.0454 ± 0.0003 Å
• b: 13.2444 ± 0.0002 Å
• c: 19.3366 ± 0.0004 Å
• α: 101.504 ± 0.0012°
• β: 103.09 ± 0.0009°
• γ: 102.223 ± 0.0011°
• Cell volume: 2835.69 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1468
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No