Information card for entry 2011564

Structure parameters

• Formula: C6 H22 Cu N4 O8
• Calculated formula: C6 H22 Cu N4 O8
• SMILES: O.O.[Cu]12([NH2][C@@H](C[NH2]1)C(=O)[O-])[NH2][C@H](C[NH2]2)C(=O)[O-].O.O
• Title of publication: <i>trans</i>-Bis[2,3-diamino-(<i>R</i>,<i>S</i>)-propionato-<i>N</i>,<i>N</i>']diaquacopper(II) dihydrate
• Authors of publication: Chapman, James; Pickett, Nigel L.; Kolawole, Gabriel; Motevalli, Majid; O'Brien, Paul
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e501 - e502
• a: 6.507 ± 0.001 Å
• b: 7.448 ± 0.002 Å
• c: 7.735 ± 0.002 Å
• α: 109.25 ± 0.04°
• β: 95.11 ± 0.04°
• γ: 109.52 ± 0.05°
• Cell volume: 325.1 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No