Information card for entry 2203051

Structure parameters

• Common name: Cadmium ferron tetrahydrate
• Chemical name: Diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato)cadmium(II) dihydrate
• Formula: C9 H12 Cd I N O8 S
• Calculated formula: C9 H11 Cd I N O8 S
• SMILES: Ic1cc2S3(=O)=[O][Cd]4([OH2])([OH2])Oc5c(I)cc(S(=O)(=O)O[Cd]6([OH2])([OH2])(Oc1c1[n]6cccc21)OS1(=O)=[O][Cd]2([OH2])([OH2])Oc6c(I)cc(S(=O)(=O)O[Cd]7(O3)([OH2])([OH2])Oc3c(I)cc1c1ccc[n]7c31)c1ccc[n]2c61)c1ccc[n]4c51.O.O.O.O.O.O.O.O
• Title of publication: A supramolecular ladder in diaqua(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ^4^<i>N,O,O</i>',<i>O</i>'')cadmium(II) dihydrate
• Authors of publication: Savarimuthu Francis; Packianathan Thomas Muthiah; Ray J. Butcher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: m62 - m64
• a: 6.922 ± 0.0008 Å
• b: 10.131 ± 0.0012 Å
• c: 10.963 ± 0.0013 Å
• α: 76.013 ± 0.002°
• β: 74.869 ± 0.002°
• γ: 85.318 ± 0.002°
• Cell volume: 720 ± 0.15 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes