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Information card for entry 2233813
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| Coordinates | 2233813.cif |
|---|---|
| Structure factors | 2233813.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/38. |
2233813.cif 2233813.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2233813.cif 2233813.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233813.cif 2233813.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2233813.cif 2233813.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233813.cif 2233813.hkl |
| 51065 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233813 via cif-deposit CGI script. |
2233813.cif |
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Users of the data should acknowledge the original authors of the
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