Information card for entry 2201188

Structure parameters

• Chemical name: (2-Carbomethoxyethyl)triiodotin at 120K
• Formula: C4 H7 I3 O2 Sn
• Calculated formula: C4 H7 I3 O2 Sn
• SMILES: [Sn]1(I)(I)(I)CCC(=[O]1)OC
• Title of publication: (2-Carbomethoxyethyl)triiodotin 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: 5
• Pages of publication: m220 - m222
• a: 7.395 ± 0.0001 Å
• b: 25.8407 ± 0.0004 Å
• c: 12.4431 ± 0.0002 Å
• α: 90°
• β: 90.46 ± 0.0008°
• γ: 90°
• Cell volume: 2377.7 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.164
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes