Information card for entry 2018106

Structure parameters

• Chemical name: Poly[μ-hydroxido-(μ7‒4-phosphonatobenzenesulfonato)ditin(II)]
• Formula: C6 H5 O7 P S Sn2
• Calculated formula: C6 H5 O7 P S Sn2
• SMILES: [Sn+2].[Sn+2].[OH-].[O-]P(=O)(c1ccc(S(=O)(=O)[O-])cc1)[O-]
• Title of publication: A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters. Corrigendum
• Authors of publication: Maniam, Palanikumar; Stock, Norbert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: e14
• a: 7.0045 ± 0.0014 Å
• b: 8.487 ± 0.002 Å
• c: 10.057 ± 0.0017 Å
• α: 81.1 ± 0.02°
• β: 86.17 ± 0.02°
• γ: 75.25 ± 0.03°
• Cell volume: 571 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No