Information card for entry 7222482

Structure parameters

• Formula: C86 H110 Cl2 F6 N2 O6 V2
• Calculated formula: C86 H110 Cl2 F6 N2 O6 V2
• SMILES: c12c(cc(C(C)(C)C)cc1C(c1ccc(C3c4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[V](=Nc4ccc(cc4)C(F)(F)F)(Oc4c3cc(cc4C(C)(C)C)C(C)(C)C)([O]3CCCC3)Cl)cc1)c1c(O[V](=Nc3ccc(cc3)C(F)(F)F)(O2)([O]2CCCC2)Cl)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 10.5705 ± 0.0007 Å
• b: 11.3001 ± 0.0008 Å
• c: 17.4045 ± 0.0011 Å
• α: 94.986 ± 0.007°
• β: 90.688 ± 0.007°
• γ: 93.257 ± 0.007°
• Cell volume: 2067.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2536
• Weighted residual factors for all reflections included in the refinement: 0.2885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No