Information card for entry 2204502

Structure parameters

• Common name: Strontium ferron trihydrate
• Chemical name: Diaquabis(8-oxido-7-iodoquinolinium-5-sulfonato)strontium monohydrate
• Formula: C18 H16 I2 N2 O11 S2 Sr
• Calculated formula: C18 H16 I2 N2 O11 S2 Sr
• SMILES: [Sr]([OH2])[OH2].[O-]S(=O)(=O)c1cc(I)c([O-])c2[nH+]cccc12.[O-]S(=O)(=O)c1cc(I)c([O-])c2[nH+]cccc12.O.O.O
• Title of publication: Diaquabis(7-iodo-8-oxidoquinolinium-5-sulfonato)strontium(II) monohydrate
• Authors of publication: Balasubramani, Kasthuri; Francis, Savarimuthu; Muthiah, Packianathan Thomas; Bocelli, Gabriele; Cantoni, Andrea
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1576 - m1579
• a: 20.539 ± 0.003 Å
• b: 7.012 ± 0.002 Å
• c: 19.243 ± 0.003 Å
• α: 90°
• β: 116.95 ± 0.03°
• γ: 90°
• Cell volume: 2470.4 ± 1.1 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: 0.1145
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.2033
• Weighted residual factors for all reflections included in the refinement: 0.23
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes