Information card for entry 2214147

Structure parameters

• Chemical name: [(<i>E</i>)-2-(3-Methoxy-2-oxidobenzylideneamino)ethanesulfonato](1,10- phenanthroline)copper(II)
• Formula: C22 H19 Cu N3 O5 S
• Calculated formula: C22 H19 Cu N3 O5 S
• SMILES: [Cu]123([n]4cccc5ccc6ccc[n]1c6c45)[N](=Cc1c(O2)c(OC)ccc1)CCS(=O)(=O)O3
• Title of publication: [(<i>E</i>)-2-(3-Methoxy-2-oxidobenzylideneamino)ethanesulfonato](1,10-phenanthroline)copper(II)
• Authors of publication: Gui-Liang Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1779 - m1779
• a: 14.932 ± 0.001 Å
• b: 26.6371 ± 0.0017 Å
• c: 13.1937 ± 0.0009 Å
• α: 90°
• β: 114.032 ± 0.001°
• γ: 90°
• Cell volume: 4792.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 0.794
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes