Information card for entry 2208681

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ^2^<i>O</i>,<i>O</i>')cadmium(II) 1,2-ethanediol solvate
• Formula: C26 H22 Cd N4 O6 S
• Calculated formula: C26 H22 Cd N4 O6 S
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cd]124(OS(=O)(=O)O2)[n]2cccc3ccc4ccc[n]1c4c23.OCCO
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ^2^<i>O</i>,<i>O</i>')cadmium(II) 1,2-ethanediol solvate
• Authors of publication: Wen-Jie Lu; Kai-Long Zhong; Yi-Min Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m891 - m893
• a: 18.022 ± 0.002 Å
• b: 12.1978 ± 0.0014 Å
• c: 13.2366 ± 0.0015 Å
• α: 90°
• β: 121.115 ± 0.002°
• γ: 90°
• Cell volume: 2491.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes