Information card for entry 2007863

Structure parameters

• Chemical name: Diaquabis(oxo-5 prolinato)zinc(II)
• Formula: C10 H16 N2 O8 Zn
• Calculated formula: C10 H16 N2 O8 Zn
• SMILES: [Zn](OC(=O)[C@@H]1NC(=O)CC1)([OH2])(OC(=O)[C@@H]1NC(=O)CC1)[OH2].[Zn](OC(=O)[C@H]1NC(=O)CC1)([OH2])(OC(=O)[C@H]1NC(=O)CC1)[OH2]
• Title of publication: Racemic Phase of Diaquabis(5-oxoprolinato)zinc(II)
• Authors of publication: Loireau-Lozach, A. M.; Céolin, R.; Solans, X.; Font-Bardia, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1571 - 1573
• a: 22.943 ± 0.004 Å
• b: 5.893 ± 0.013 Å
• c: 20.541 ± 0.005 Å
• α: 90°
• β: 90.49 ± 0.03°
• γ: 90°
• Cell volume: 2777 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections: 0.181
• Weighted residual factors for significantly intense reflections: 0.145
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No