Information card for entry 7222477

Structure parameters

• Formula: C86 H132 O12 V2
• Calculated formula: C86 H132 O12 V2
• SMILES: c12c(cc(cc1C(c1ccc(C3c4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[V](Oc4c3cc(cc4C(C)(C)C)C(C)(C)C)(=O)([O]3CCCC3)OCCC)cc1)c1c(O[V](=O)(O2)([O]2CCCC2)OCCC)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.O1CCCC1.O1CCCC1
• Title of publication: Vanadium(V) tetra-phenolate complexes: Synthesis, structural studies and ethylene homo-(co-)polymerization capability
• Authors of publication: Redshaw, Carl; Walton, Mark; Elsegood, Mark Robert James; Prior, Timothy J.; Michiue, Kenji
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 23.8164 ± 0.0016 Å
• b: 18.9585 ± 0.0007 Å
• c: 18.6002 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8398.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No