Information card for entry 2202595

Structure parameters

• Common name: copper ferron hexahydrate
• Chemical name: diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ^4^N,O,O',O'')copper(II) tetrahydrate
• Formula: C9 H16 Cu I N O10 S
• Calculated formula: C9 H16 Cu I N O10 S
• SMILES: Ic1c2O[Cu]3([n]4c2c(ccc4)c(S(O[Cu]2([n]4cccc5c(S(O3)(=O)=O)cc(I)c(O2)c45)([OH2])[OH2])(=O)=O)c1)([OH2])[OH2].O.O.O.O.O.O.O.O
• Title of publication: Polymeric diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ^4^<i>N,O,O</i>',<i>O</i>'')copper(II) tetrahydrate
• Authors of publication: Savarimuthu Francis; Packianathan Thomas Muthiah; Gabriele Bocelli; Andrea Cantoni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m1157 - m1159
• a: 7.321 ± 0.002 Å
• b: 9.682 ± 0.003 Å
• c: 22.817 ± 0.003 Å
• α: 90°
• β: 96.54 ± 0.02°
• γ: 90°
• Cell volume: 1606.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes