Information card for entry 4324890

Structure parameters

• Common name: trans copper(II) valinate
• Chemical name: trans bis(valinato)copper(II)
• Formula: C10 H20 Cu N2 O4
• Calculated formula: C10 H20 Cu N2 O4
• SMILES: [Cu]12(OC(=O)[C@@H]([NH2]1)C(C)C)OC(=O)[C@@H]([NH2]2)C(C)C
• Title of publication: Combined Experimental and Computational Study of cis-trans Isomerism in Bis(l-valinato)copper(II)
• Authors of publication: Marijana Marković; Nenad Judaš; Jasmina Sabolović
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3632 - 3644
• a: 4.9048 ± 0.0004 Å
• b: 5.2422 ± 0.0003 Å
• c: 12.2131 ± 0.0008 Å
• α: 79.356 ± 0.005°
• β: 89.844 ± 0.006°
• γ: 79.42 ± 0.006°
• Cell volume: 303.21 ± 0.04 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0181
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No