Information card for entry 7034263

Structure parameters

• Formula: C158 H199 Li2 N13 O14 V2
• Calculated formula: C158 H197.5 Li2 N13 O14 V2
• 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: 61.082 ± 0.003 Å
• b: 20.4495 ± 0.001 Å
• c: 25.7085 ± 0.0012 Å
• α: 90°
• β: 90.0954 ± 0.0008°
• γ: 90°
• Cell volume: 32112 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1696
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.313
• Weighted residual factors for all reflections included in the refinement: 0.3571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No