Information card for entry 2233813

Structure parameters

• Common name: 5,7-Diiodo-1,4-dioxo-1<i>H</i>,4<i>H</i>-2aλ^3^-ioda-2,3- dioxacyclopenta[<i>cd</i>]indene-6-carboxylic acid dihydrate
• Chemical name: 8,10-diiodo-2,6-dioxo-4λ^3^-ioda-3,5-dioxatricyclo[5.3.1.0^4,11^]undeca- 1(11),7,9-triene-9-carboxylic acid
• Formula: C9 H5 I3 O8
• Calculated formula: C9 H5 I3 O8
• Title of publication: 8,10-Diiodo-2,6-dioxo-4λ^3^-ioda-3,5-dioxatricyclo[5.3.1.0^4,11^]undeca-1(11),7,9-triene-9-carboxylic acid
• Authors of publication: Sheng, Daopeng; Han, Lu; Zhang, Yi; Yang, Yanzhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o706
• a: 14.7667 ± 0.0008 Å
• b: 11.989 ± 0.0006 Å
• c: 9.7419 ± 0.0005 Å
• α: 90°
• β: 127.424 ± 0.0005°
• γ: 90°
• Cell volume: 1369.68 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes