Information card for entry 2204263

Structure parameters

• Common name: catena-(bis(υ~2~-L-asparaginato-N,O,O')copper(II)
• Formula: C8 H14 Cu N4 O6
• Calculated formula: C8 H14 Cu N4 O6
• SMILES: [Cu]12(OC(=O)[C@@H]([NH2]1)CC(=O)N)(OC(=O)[C@@H]([NH2]2)CC(=O)N)[O]=C(N)C[C@@H]1[NH2][Cu]2(OC(=O)[C@@H]([NH2]2)CC(=O)N)OC1=O
• Title of publication: Redetermination of bis(<small>L</small>-asparaginato)copper(II)
• Authors of publication: Vencato, Ivo; Lariucci, Carlito; Ferreira, Katiuscia D.; Santana, Ricardo C.; Carvalho, Jesiel F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1428 - m1430
• a: 5.036 ± 0.002 Å
• b: 18.915 ± 0.002 Å
• c: 6.152 ± 0.001 Å
• α: 90°
• β: 96.21 ± 0.02°
• γ: 90°
• Cell volume: 582.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes