Information card for entry 2231413

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>')copper(II) ethane-1,2-diol monosolvate
• Formula: C26 H22 Cu N4 O6 S
• Calculated formula: C26 H22 Cu N4 O6 S
• SMILES: [Cu]12([n]3c4c(ccc3)ccc3c4[n]2ccc3)([n]2c3c4[n]1cccc4ccc3ccc2)OS(=O)(=O)[O-].OCCO
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-<i>O</i>)copper(II) ethane-1,2-diol monosolvate
• Authors of publication: Zhong, Kai-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1215 - m1216
• a: 17.666 ± 0.004 Å
• b: 11.992 ± 0.002 Å
• c: 13.122 ± 0.003 Å
• α: 90°
• β: 120.96 ± 0.03°
• γ: 90°
• Cell volume: 2383.8 ± 1.1 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes