Information card for entry 2226315

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(ethylenediamine)copper(II)]-μ-sulfato]
• Formula: C4 H16 Cu N4 O4 S
• Calculated formula: C4 H16 Cu N4 O4 S
• SMILES: [Cu]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)(OS(=O)(=O)O[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2)OS(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[bis(ethylenediamine)copper(II)]-μ-sulfato]
• Authors of publication: Lutz, Martin; Smeets, Stef; Parois, Pascal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m671 - m672
• a: 14.4959 ± 0.0003 Å
• b: 9.63748 ± 0.00008 Å
• c: 13.87746 ± 0.00017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1938.74 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes