Information card for entry 7002584

Structure parameters

• Formula: C40 H57 Cl N O3 V
• Calculated formula: C40 H57 Cl N O3 V
• Title of publication: Vanadium-based imido-alkoxide pro-catalysts bearing bisphenolate ligands for ethylene and ε-caprolactone polymerisation
• Authors of publication: Arbaoui, Abdessamad; Redshaw, Carl; Homden, Damien M.; Wright, Joseph A.; Elsegood, Mark R. J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 41
• Pages of publication: 8911 - 8922
• a: 18.2831 ± 0.0008 Å
• b: 11.0322 ± 0.0004 Å
• c: 41.0433 ± 0.0019 Å
• α: 90°
• β: 98.0783 ± 0.0012°
• γ: 90°
• Cell volume: 8196.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No