Information card for entry 2202268

Structure parameters

• Formula: C26 H34 Cu N4 O12
• Calculated formula: C26 H34 Cu N4 O12
• SMILES: [O-]C(=O)C.[Cu]1234([n]5ccccc5C(c5cccc[n]15)([OH]3)O)[n]1ccccc1C(c1cccc[n]21)([OH]4)O.O.O.O=C([O-])C.O.O
• Title of publication: Bis(di-2-pyridylmethanediol-κ^3^<i>N,O,N</i>')copper(II) diacetate tetrahydrate
• Authors of publication: Reinoso, Santiago; Vitoria, Pablo; San Felices, Leire; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m548 - m550
• a: 8.617 ± 0.001 Å
• b: 7.8765 ± 0.0009 Å
• c: 23.103 ± 0.003 Å
• α: 90°
• β: 98 ± 0.01°
• γ: 90°
• Cell volume: 1552.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes