Information card for entry 7014305

Structure parameters

• Common name: organotin sulfonate
• Formula: C34 H38 N2 O13 S2 Sn
• Calculated formula: C34 H38 N2 O13 S2 Sn
• SMILES: c1(ccccc1)[Sn]1([OH2])([OH2])(c2ccccc2)([O]=n2ccccc2c2n(cccc2)=[O]1)[OH2].O=S(=O)([O-])c1cccc2c1cccc2S(=O)(=O)[O-].OC.OC
• Title of publication: Reactions of in situ generated hydrated organotin cations with chelating O,O- or O,N-ligands: a possible structure-directing influence of the organic substituent on tin.
• Authors of publication: Chandrasekhar, Vadapalli; Singh, Puja
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 1
• Pages of publication: 114 - 123
• a: 18.2329 ± 0.0013 Å
• b: 11.0763 ± 0.0008 Å
• c: 18.0241 ± 0.0013 Å
• α: 90°
• β: 99.374 ± 0.001°
• γ: 90°
• Cell volume: 3591.4 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No