Information card for entry 4324418

Structure parameters

• Formula: C16 H32 O16 P2 S2 Sn3
• Calculated formula: C16 H32 O16 P2 S2 Sn3
• SMILES: P12(=[O][Sn](C)(C)(OP(CCC(=O)OC)(=[O][Sn](O1)(OS(=O)(C)=O)(C)C)O[Sn](C)(C)O2)OS(=O)(C)=O)CCC(=O)OC
• Title of publication: Diorganotin-Based Coordination Polymers Derived from Sulfonate/Phosphonate/Phosphonocarboxylate Ligands
• Authors of publication: Ravi Shankar; Archana Jain; Gabriele Kociok-Köhn; Kieran C. Molloy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1339 - 1350
• a: 10.6136 ± 0.0001 Å
• b: 10.6136 ± 0.0001 Å
• c: 28.7211 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3235.39 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No