Information card for entry 2206459

Structure parameters

• Common name: [Zn(phen)(mal)(H~2~O)]~n~
• Chemical name: catena-Poly[[aqua(1,10-phenanthroline)zinc(II)]-μ-maleate-κ^3^O,O,O']
• Formula: C16 H12 N2 O5 Zn
• Calculated formula: C16 H12 N2 O5 Zn
• SMILES: [Zn]12([n]3cccc4ccc5ccc[n]1c5c34)([OH2])([O]=C(O2)/C=C\C(=O)[O-])OC(=O)/C=C\C1=[O][Zn]2([n]3cccc4ccc5ccc[n]2c5c34)(O1)[OH2]
• Title of publication: <i>catena</i>-Poly[[aqua(1,10-phenanthroline)zinc(II)]-μ-maleato-κ^3^<i>O</i>,<i>O</i>:<i>O</i>']
• Authors of publication: Li, Ming-Tian; Fu, Xu-Cheng; Wang, Cheng-Gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1436 - m1438
• a: 9.9906 ± 0.0008 Å
• b: 7.2954 ± 0.0006 Å
• c: 10.2946 ± 0.0009 Å
• α: 90°
• β: 91.893 ± 0.001°
• γ: 90°
• Cell volume: 749.92 ± 0.11 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes