Information card for entry 7240825

Structure parameters

• Formula: C11 H20 Cu N4 O6
• Calculated formula: C11 H20 Cu N4 O6
• Title of publication: The affinity of copper(II) ions towards L-amino acids in the solid-state: a simple route towards mixed complexes
• Authors of publication: Smokrovic, Kristina; Đilović, Ivica; Matkovic-Calogovic, Dubravka
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 9.7066 ± 0.0006 Å
• b: 8.1806 ± 0.0004 Å
• c: 10.371 ± 0.0006 Å
• α: 90°
• β: 114.199 ± 0.007°
• γ: 90°
• Cell volume: 751.15 ± 0.08 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: 0.0403
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No