Information card for entry 2226540

Structure parameters

• Chemical name: Diaquabis(hydrogen tartrato)copper(II) dihydrate
• Formula: C8 H18 Cu O16
• Calculated formula: C8 H18 Cu O16
• SMILES: C1(=O)[C@H]([C@H](O)C(=O)O)[OH][Cu]2(O1)(OC(=O)[C@@H]([C@H](C(=O)O)O)[OH]2)([OH2])[OH2].O.O
• Title of publication: Diaquabis(hydrogen tartrato)copper(II) dihydrate
• Authors of publication: Al-Dajani, Mohammad T.M.; Abdallah, Hassan H.; Mohamed, Nornisah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m774 - m775
• a: 7.1577 ± 0.0008 Å
• b: 14.0989 ± 0.0014 Å
• c: 7.891 ± 0.0008 Å
• α: 90°
• β: 109.136 ± 0.002°
• γ: 90°
• Cell volume: 752.32 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes