Information card for entry 2217581

Structure parameters

• Chemical name: Bis[(2-quinolyl)methanediol-κ^2^N,O](sulfato-κO)copper(II) dihydrate
• Formula: C20 H22 Cu N2 O10 S
• Calculated formula: C20 H22 Cu N2 O10 S
• SMILES: [Cu]12([OH][C@@H](O)c3[n]1c1c(cc3)cccc1)([OH][C@@H](O)c1[n]2c2c(cc1)cccc2)OS(=O)(=O)[O-].O.O.[Cu]12([OH][C@H](O)c3[n]1c1c(cc3)cccc1)([OH][C@H](O)c1[n]2c2c(cc1)cccc2)OS(=O)(=O)[O-].O.O
• Title of publication: Bis[(2-quinolyl)methanediol-κ^2^<i>N</i>,<i>O</i>](sulfato-κ<i>O</i>)copper(II) dihydrate
• Authors of publication: Martins, Nuno D.; Silva, Joana A.; Ramos Silva, Manuela; Matos Beja, Ana; Sobral, Abilio J. F. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m394 - m394
• a: 7.6065 ± 0.0003 Å
• b: 8.8747 ± 0.0004 Å
• c: 17.5035 ± 0.0009 Å
• α: 98.561 ± 0.003°
• β: 94.324 ± 0.003°
• γ: 111.305 ± 0.002°
• Cell volume: 1077.76 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes