Information card for entry 2227604

Structure parameters

• Chemical name: (Di-2-pyridylamine)(methanol)sulfatocopper(II)
• Formula: C11 H13 Cu N3 O5 S
• Calculated formula: C11 H13 Cu N3 O5 S
• SMILES: [Cu]12(OS(=O)(=O)O1)([OH]C)[n]1ccccc1Nc1[n]2cccc1
• Title of publication: (Di-2-pyridylamine)(methanol)sulfatocopper(II)
• Authors of publication: DeBurgomaster, Paul; Zubieta, Jon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1350 - m1351
• a: 7.1403 ± 0.001 Å
• b: 10.7361 ± 0.0015 Å
• c: 17.798 ± 0.003 Å
• α: 90°
• β: 92.185 ± 0.003°
• γ: 90°
• Cell volume: 1363.4 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes