Information card for entry 2224431

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]- μ-9,10-dioxoanthracene-1,5-disulfonato-κ^2^<i>O^1^</i>:<i>O</i>^5^]
• Formula: C34 H22 Cd N4 O8 S2
• Calculated formula: C34 H22 Cd N4 O8 S2
• SMILES: [Cd]12(OS(=O)(=O)c3c4C(=O)c5cccc(S(=O)(=O)[O-])c5C(=O)c4ccc3)([n]3c(cccc3)c3[n]1cccc3)([n]1c(cccc1)c1[n]2cccc1)OS(=O)(=O)c1cccc2C(=O)c3c(S(=O)(=O)O[Cd]45([n]6c(cccc6)c6[n]4cccc6)[n]4c(cccc4)c4[n]5cccc4)cccc3C(=O)c12
• Title of publication: <i>catena</i>-Poly[[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-9,10-dioxoanthracene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^]
• Authors of publication: Jia, Jia; Zhang, Youdi; Zhao, Yanhui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1580 - m1581
• a: 10.3807 ± 0.0007 Å
• b: 10.7406 ± 0.0008 Å
• c: 13.1289 ± 0.0009 Å
• α: 94.044 ± 0.001°
• β: 90.239 ± 0.001°
• γ: 97.025 ± 0.001°
• Cell volume: 1449.08 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes