Information card for entry 7014308

Structure parameters

• Common name: organotin sulfonate
• Formula: C72 H60 O10 P4 S2 Sn
• Calculated formula: C72 H60 O10 P4 S2 Sn
• SMILES: c1(ccccc1)P1(=[O][Sn]2(c3ccccc3)(c3ccccc3)([O]=P(c3ccccc3)(c3ccccc3)CP(=[O]2)(c2ccccc2)c2ccccc2)[O]=P(c2ccccc2)(c2ccccc2)C1)c1ccccc1.[O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)[O-]
• 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: 15.154 ± 0.005 Å
• b: 11.657 ± 0.005 Å
• c: 19.051 ± 0.005 Å
• α: 90 ± 0.005°
• β: 112.254 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3114.7 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No