Information card for entry 4501628

Structure parameters

• Common name: organotin sulfonate
• Formula: C38 H44 N4 O12 S2 Sn
• Calculated formula: C38 H44 N4 O12 S2 Sn
• SMILES: O=S(=O)([O-])c1c2c(ccc1)c(S(=O)(=O)[O-])ccc2.[OH2][Sn](CCCC)(CCCC)([O]=n1ccc(c2ccn(=O)cc2)cc1)([O]=n1ccc(c2ccn(=O)cc2)cc1)[OH2]
• Title of publication: In Situ Generated Hydrated Diorganotin Cations as Synthons for Hydrogen-Bonded and Coordination-Driven 1D-, 2D-, and 3D-Assemblies
• Authors of publication: Chandrasekhar, Vadapalli; Singh, Puja
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 3077
• a: 7.586 ± 0.005 Å
• b: 9.937 ± 0.005 Å
• c: 13.658 ± 0.005 Å
• α: 91.602 ± 0.005°
• β: 99.89 ± 0.005°
• γ: 107.579 ± 0.005°
• Cell volume: 963.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No