Information card for entry 4076619

Structure parameters

• Formula: C19 H36 O11 S2 Sn
• Calculated formula: C19 H36 O11 S2 Sn
• SMILES: C(CCC)[Sn](CCCC)([OH2])([OH2])[OH2].c1(cccc2c(S(=O)(=O)[O-])cccc12)S(=O)(=O)[O-].CO.O
• Title of publication: First Example of a Hydrogen-Bonded Three-DimensionalPillaredStructure Involving an Organotin Motif: Synthesis and X-ray Crystal Structures of {[nBu2Sn(H2O)3(L)Sn(H2O)3nBu2]2+[L]2-}·2MeOH·2H2O and {[Ph3Sn(L)Sn(H2O)Ph3]n}·THF (L = 1,5-Naphthalenedisulfonate)
• Authors of publication: Chandrasekhar, Vadapalli; Boomishankar, Ramamoorthy; Steiner, Alexander; Bickley, Jamie F.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 17
• Pages of publication: 3342
• a: 9.093 ± 0.003 Å
• b: 11.484 ± 0.004 Å
• c: 14.058 ± 0.004 Å
• α: 113.35 ± 0.04°
• β: 94.59 ± 0.04°
• γ: 100.65 ± 0.04°
• Cell volume: 1305.3 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No