Information card for entry 2009282

Structure parameters

• Chemical name: Bis-(2-ethyl-3-Hydroxy-pyranonato)diiodotin(IV) acetonitrile
• Formula: C16 H17 I2 N O6 Sn
• Calculated formula: C16 H17 I2 N O6 Sn
• SMILES: [Sn]12(I)(I)(OC3C(=[O]1)C=COC=3CC)OC1C(=[O]2)C=COC=1CC.CC#N
• Title of publication: Bis(2-ethyl-3-hydroxy-4-pyranonato)diiodotin(IV) acetonitrile solvate
• Authors of publication: Lu, Zaisheng; Burgess, John; Fawcett, John; Russell, David R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2051 - 2053
• a: 7.658 ± 0.001 Å
• b: 25.364 ± 0.004 Å
• c: 11.5 ± 0.002 Å
• α: 90°
• β: 95.17 ± 0.01°
• γ: 90°
• Cell volume: 2224.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No