Information card for entry 7034264

Structure parameters

• Formula: C161.34 H204.02 Li2 N14.67 O14 V2
• Calculated formula: C161.344 H204.016 Li2 N14.672 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: 61.03 ± 0.04 Å
• b: 20.308 ± 0.018 Å
• c: 25.59 ± 0.02 Å
• α: 90°
• β: 90.11 ± 0.02°
• γ: 90°
• Cell volume: 31716 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2181
• Residual factor for significantly intense reflections: 0.1724
• Weighted residual factors for significantly intense reflections: 0.3211
• Weighted residual factors for all reflections included in the refinement: 0.3445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No