Information card for entry 1513169

Structure parameters

• Common name: cis-bis(glycinato)Cu(II)
• Formula: C4 H8 Cu N2 O5
• Calculated formula: C4 H8 Cu N2 O5
• SMILES: [Cu]12(OC(=O)C[NH2]2)(OC(=O)C[NH2]1)[OH2]
• Title of publication: Review: Protonation and coordination ability of small peptides - theoretical and experimental approaches for elucidation
• Authors of publication: Lamshöft, M.; Ivanova, B.
• Journal of publication: Journal of Coordination Chemistry
• Year of publication: 2011
• Journal volume: 64
• Journal issue: 14
• Pages of publication: 2419 - 2442
• a: 5.229 ± 0.003 Å
• b: 10.824 ± 0.007 Å
• c: 13.514 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 764.9 ± 0.8 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No