Information card for entry 7034265

Structure parameters

• Formula: C39 H49 Li N3 O5 V
• Calculated formula: C39 H49 Li N3 O5 V
• Title of publication: Vanadyl calix[6]arene complexes: synthesis, structural studies and ethylene homo-(co-)polymerization capability.
• Authors of publication: Redshaw, Carl; Walton, Mark; Michiue, Kenji; Chao, Yimin; Walton, Alex; Elo, Pertti; Sumerin, Victor; Jiang, Chengying; Elsegood, Mark R. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 12292 - 12303
• a: 12.0813 ± 0.0007 Å
• b: 12.7544 ± 0.0008 Å
• c: 14.2206 ± 0.001 Å
• α: 90.879 ± 0.006°
• β: 94.563 ± 0.007°
• γ: 117.961 ± 0.008°
• Cell volume: 1925.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1815
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No