Information card for entry 2014377

Structure parameters

• Chemical name: Diaquamalonato(1,10-phenanthroline)zinc(II)
• Formula: C15 H14 N2 O6 Zn
• Calculated formula: C15 H14 N2 O6 Zn
• SMILES: [Zn]12([OH2])([OH2])([n]3cccc4ccc5ccc[n]1c5c34)OC(=O)CC(=O)O2
• Title of publication: Diaquamalonato(1,10-phenanthroline)zinc(II)
• Authors of publication: Xu-Cheng Fu; Ming-Tian Li; Cheng-Gang Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m13 - m15
• a: 10.3369 ± 0.0011 Å
• b: 9.6662 ± 0.001 Å
• c: 15.4737 ± 0.0016 Å
• α: 90°
• β: 105.72 ± 0.002°
• γ: 90°
• Cell volume: 1488.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• 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: 0.0442
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No