Information card for entry 2207711

Structure parameters

• Chemical name: Diethanol(2-hydroxy-2,2-diphenylacetato)pyridinecopper(II)
• Formula: C42 H44 Cu N2 O8
• Calculated formula: C42 H44 Cu N2 O8
• SMILES: C(=O)(C(c1ccccc1)(c1ccccc1)O)O[Cu]([n]1ccccc1)([n]1ccccc1)([OH]CC)(OC(=O)C(c1ccccc1)(c1ccccc1)O)[OH]CC
• Title of publication: Diethanol(2-hydroxy-2,2-diphenylacetato)pyridinecopper(II)
• Authors of publication: Zhu, Li-Na; Gao, Shan; Huo, Li-Hua; Zhao, Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2646 - m2648
• a: 9.7231 ± 0.0019 Å
• b: 15.992 ± 0.002 Å
• c: 25.143 ± 0.003 Å
• α: 90°
• β: 95.23 ± 0.03°
• γ: 90°
• Cell volume: 3893.3 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes