Information card for entry 2201153

Structure parameters

• Chemical name: Bis(2-carboethoxyethyl)diiodotin
• Formula: C10 H18 I2 O4 Sn
• Calculated formula: C10 H18 I2 O4 Sn
• SMILES: C(CC(=[O]1)OCC)[Sn]12(I)(CCC(=[O]2)OCC)I
• Title of publication: Bis(2-carboethoxyethyl)diiodotin at 120K
• Authors of publication: Howie, R. Alan; Wardell, Solange M. S. V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: m257 - m259
• a: 20.9399 ± 0.001 Å
• b: 9.1673 ± 0.0005 Å
• c: 9.6144 ± 0.0005 Å
• α: 90°
• β: 115.559 ± 0.003°
• γ: 90°
• Cell volume: 1664.99 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0695
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes