Information card for entry 4325943

Structure parameters

• Common name: Compound 1
• Formula: C102 H130 N4 O8 V2
• Calculated formula: C102.95 H128 N3.6 O8 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: 12.5484 ± 0.0004 Å
• b: 19.6001 ± 0.0006 Å
• c: 20.2006 ± 0.0009 Å
• α: 86.074 ± 0.003°
• β: 77.914 ± 0.003°
• γ: 80.074 ± 0.003°
• Cell volume: 4782.8 ± 0.3 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No