Information card for entry 2205592

Structure parameters

• Chemical name: catena-Poly[[bis[4,4'-oxydibenzoato(1-)]cadmium(II)]-μ-1,2-di-4- pyridylethylene]
• Formula: C40 H28 Cd N2 O10
• Calculated formula: C40 H28 Cd N2 O10
• SMILES: [Cd]12([O]=C(O1)c1ccc(Oc3ccc(cc3)C(=O)O)cc1)([n]1ccc(cc1)/C=C/c1cc[n]([Cd]34([O]=C(O3)c3ccc(Oc5ccc(cc5)C(=O)O)cc3)([O]=C(O4)c3ccc(Oc4ccc(cc4)C(=O)O)cc3)[n]3ccc(cc3)/C=C/c3ccncc3)cc1)[O]=C(O2)c1ccc(Oc2ccc(cc2)C(=O)O)cc1
• Title of publication: <i>catena</i>-Poly[[bis[4,4'-oxydibenzoato(1‒)]cadmium(II)]-μ-1,2-di-4-pyridylethylene]
• Authors of publication: Yin, De-Wu; Xiao, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: m708 - m710
• a: 28.991 ± 0.002 Å
• b: 5.9448 ± 0.0005 Å
• c: 21.5013 ± 0.0018 Å
• α: 90°
• β: 111.848 ± 0.002°
• γ: 90°
• Cell volume: 3439.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes