Information card for entry 2202109

Structure parameters

• Common name: Zinc ferron pentahydrate
• Chemical name: μ-7-iodo-8-hydroxyquinoline-5-sulfonato-κ^3^N,O:O')bis[triaquazinc(II)] tetrahydrate
• Formula: C18 H28 I2 N2 O18 S2 Zn2
• Calculated formula: C18 H28 I2 N2 O18 S2 Zn2
• SMILES: Ic1cc2S(=O)(=O)O[Zn]3([n]4cccc5c(S(=O)(=O)O[Zn]6([n]7cccc2c7c1O6)([OH2])([OH2])[OH2])cc(I)c(O3)c45)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Bis(μ-8-hydroxy-7-iodoquinoline-5-sulfonato-κ^3^<i>N,O</i>:<i>O</i>')bis[triaquazinc(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: 2
• Pages of publication: m87 - m90
• a: 22.278 ± 0.004 Å
• b: 10.076 ± 0.003 Å
• c: 13.496 ± 0.002 Å
• α: 90°
• β: 102.29 ± 0.03°
• γ: 90°
• Cell volume: 2960.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0612
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes