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Information card for entry 2018668
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| Coordinates | 2018668.cif |
|---|---|
| Structure factors | 2018668.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 4-(Diiodoarsanyl)benzoic acid |
|---|---|
| Formula | C7 H5 As I2 O2 |
| Calculated formula | C7 H5 As I2 O2 |
| SMILES | I[As](I)c1ccc(C(=O)O)cc1 |
| Title of publication | <i>X</i>-(Diiodoarsanyl)benzoic acid (<i>X</i> = 3 and 4) |
| Authors of publication | Ilyin, Igor Yu.; Pushkarevsky, Nikolay A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergey N. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | m323 - m325 |
| a | 4.8992 ± 0.0002 Å |
| b | 8.4434 ± 0.0005 Å |
| c | 13.6616 ± 0.0009 Å |
| α | 107.148 ± 0.002° |
| β | 91.569 ± 0.002° |
| γ | 96.376 ± 0.002° |
| Cell volume | 535.59 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.1046 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201957 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018668.cif 2018668.hkl |
| 180855 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86. |
2018668.cif 2018668.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018668.cif 2018668.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018668.cif 2018668.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. | 2018668.cif 2018668.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018668.cif 2018668.hkl |
| 70217 | 2012-12-21 | cif/ Adding structures of 2018668, 2018669 via cif-deposit CGI script. |
2018668.cif |
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Users of the data should acknowledge the original authors of the
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