Information card for entry 2008089

Structure parameters

• Chemical name: Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II)
• Formula: C9 H17 Cu N3 O6
• Calculated formula: C9 H17 Cu N3 O6
• SMILES: [Cu]12(OC(=O)C(=[N]1CCC(=O)O2)C)([OH2])[O]=C1O[Cu]2([OH2])OC(=O)C(=[N]2CC1)C.NC(=O)NCC.NC(=O)NCC
• Title of publication: Polymeric aqua(<i>N</i>-ethylurea-<i>O</i>)(<i>N</i>-pyruvidene-β-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II)
• Authors of publication: Warda, Salam A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 52 - 54
• a: 15.0798 ± 0.0016 Å
• b: 7.5653 ± 0.0005 Å
• c: 12.6522 ± 0.0014 Å
• α: 90°
• β: 114.212 ± 0.011°
• γ: 90°
• Cell volume: 1316.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No