Information card for entry 2011543

Structure parameters

• Chemical name: Aqua-bis(trans-2-butenoate)- bis(pyridine)copper(II)
• Formula: C18 H22 Cu N2 O5
• Calculated formula: C18 H22 Cu N2 O5
• SMILES: c1cccc[n]1[Cu]([n]1ccccc1)(OC(=O)/C=C/C)(OC(=O)/C=C/C)[OH2]
• Title of publication: Aquabis(crotonato)bis(pyridine)copper(II)
• Authors of publication: Baggio, Ricardo; Foxman, Bruce; Garland, Maria Teresa; Perec, Mireille; Shang, Wen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e505 - e506
• a: 15.922 ± 0.002 Å
• b: 5.7331 ± 0.0008 Å
• c: 21.341 ± 0.003 Å
• α: 90°
• β: 91.097 ± 0.011°
• γ: 90°
• Cell volume: 1947.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.041
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1100908
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No