Information card for entry 2220479

Structure parameters

• Chemical name: <i>catena</i>-Poly[[aqua(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4- dicarboxylato]
• Formula: C20 H14 Cd N2 O5
• Calculated formula: C20 H14 Cd N2 O5
• SMILES: [Cd]12([OH2])([n]3cccc4ccc5ccc[n]2c5c34)[O]=C(O1)c1ccc(cc1)C1=[O][Cd]23(O1)([O]=C(O2)c1ccc(cc1)C(=O)[O-])([OH2])[n]1cccc2ccc4ccc[n]3c4c12
• Title of publication: <i>catena</i>-Poly[[aqua(1,10-phenanthroline)cadmium(II)]-μ-benzene-1,4-dicarboxylato]
• Authors of publication: Hu, Hongping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m90
• a: 9.1831 ± 0.0005 Å
• b: 9.655 ± 0.0006 Å
• c: 11.36 ± 0.0007 Å
• α: 104.631 ± 0.0008°
• β: 104.039 ± 0.0009°
• γ: 101.892 ± 0.0007°
• Cell volume: 906.28 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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 all reflections: 0.041
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes