Information card for entry 4333083

Structure parameters

• Common name: tetra-n-butylbis(ethanesulfonato)bis(hydrogenmethylphosphonato)ditin
• Formula: C22 H54 O12 P2 S2 Sn2
• Calculated formula: C22 H54 O12 P2 S2 Sn2
• SMILES: C(CCC)[Sn]1(CCCC)[O]=P(C)(O[Sn](CCCC)(CCCC)[O]=P(C)(O1)O)O.O=S(=O)([O-])CC.O=S(=O)([O-])CC
• Title of publication: Expanding the Scope of Sulfur-Centered Arbuzov Rearrangement in Diethyl/Di-n-propyl Sulfite for the Synthesis of Mixed-Ligand Di-n-butyltin Alkanesulfonates†
• Authors of publication: Shankar, Ravi; Singh, Atul Pratap; Upreti, Shailesh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9166 - 9168
• a: 9.792 ± 0.004 Å
• b: 9.865 ± 0.004 Å
• c: 10.232 ± 0.005 Å
• α: 72.694 ± 0.007°
• β: 84.509 ± 0.007°
• γ: 75.381 ± 0.007°
• Cell volume: 912.9 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No