Information card for entry 7104445

Structure parameters

• Common name: Cu(iii) complex of azacalix(1)arene(3)pyridine
• Formula: C54 H54 Cl4 Cu2 N16 O16
• Calculated formula: C54 H54 Cl4 Cu2 N16 O16
• Title of publication: Room-temperature aerobic formation of a stable aryl-Cu(III) complex and its reactions with nucleophiles: highly efficient and diverse arene C-H functionalizations of azacalix[1]arene[3]pyridine.
• Authors of publication: Yao, Bo; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 2899 - 2901
• a: 8.6783 ± 0.0012 Å
• b: 46.814 ± 0.007 Å
• c: 14.193 ± 0.002 Å
• α: 90°
• β: 95.197 ± 0.002°
• γ: 90°
• Cell volume: 5742.7 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No