Information card for entry 2216897

Structure parameters

• Chemical name: Poly[[aqua(2,2'-bipyridine)cadmium(II)]- μ-<i>trans</i>-stilbene-4,4'-dicarboxylato]
• Formula: C26 H20 Cd N2 O5
• Calculated formula: C26 H20 Cd N2 O5
• SMILES: [Cd]12([OH2])([n]3ccccc3c3[n]2cccc3)[O]=C(O1)c1ccc(cc1)/C=C/c1ccc(cc1)C1=[O][Cd]2([OH2])(O1)([n]1ccccc1c1[n]2cccc1)OC(=O)c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)O[Cd]12([OH2])([n]3ccccc3c3[n]2cccc3)[O]=C(O1)c1ccc(cc1)/C=C/c1ccc(cc1)C1=[O][Cd]2([OH2])(O1)([n]1ccccc1c1[n]2cccc1)OC(=O)c1ccc(cc1)/C=C/c1ccc(cc1)C(=O)[O-]
• Title of publication: The one-dimensional polymer poly[[aqua(2,2'-bipyridine)cadmium(II)]-μ-<i>trans</i>-stilbene-4,4'-dicarboxylato]
• Authors of publication: Wang, Huan-Yu; Gao, Shan; Huo, Li-Hua; Zhao, Jing-Gui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m162 - m163
• a: 10.543 ± 0.002 Å
• b: 10.838 ± 0.002 Å
• c: 11.442 ± 0.002 Å
• α: 98.9 ± 0.03°
• β: 115.07 ± 0.03°
• γ: 102.95 ± 0.03°
• Cell volume: 1107 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes