Information card for entry 7223605

Structure parameters

• Formula: C86 H112 Cl2 N6 O4 V2
• Calculated formula: C86 H112 Cl2 N6 O4 V2
• Title of publication: Vanadyl phenolate complexes for ring opening homo- and co-polymerisation of epsilon-caprolactone, L-lactide and rac-lactide
• Authors of publication: Ge, Feijie; Dan, Yi; Al-Khafaji, Yahya; Prior, Timothy J.; Jiang, Long; Elsegood, Mark Robert James; Redshaw, Carl
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 10.6773 ± 0.0007 Å
• b: 18.5913 ± 0.0013 Å
• c: 21.252 ± 0.0015 Å
• α: 90°
• β: 96.075 ± 0.001°
• γ: 90°
• Cell volume: 4194.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No