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Information card for entry 2237951
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| Coordinates | 2237951.cif |
|---|---|
| Structure factors | 2237951.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(but-2-enoato-κ<i>O</i>)triphenylbismuth(V) |
|---|---|
| Formula | C26 H25 Bi O4 |
| Calculated formula | C26 H25 Bi O4 |
| SMILES | [Bi]12(OC(=[O]1)/C=C/C)(OC(=[O]2)/C=C/C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Bis(but-2-enoato-κ<i>O</i>)triphenylbismuth(V) |
| Authors of publication | Andreev, Pavel V.; Somov, Nikolay V.; Kalistratova, Olga S.; Gushchin, Alexey V.; Chuprunov, Evgeny V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | m333 |
| a | 10.471 ± 0.0003 Å |
| b | 10.4957 ± 0.0003 Å |
| c | 11.9774 ± 0.0003 Å |
| α | 84.941 ± 0.002° |
| β | 83.633 ± 0.002° |
| γ | 69.084 ± 0.003° |
| Cell volume | 1220.32 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0228 |
| Residual factor for significantly intense reflections | 0.0199 |
| Weighted residual factors for all reflections included in the refinement | 0.0501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237951.cif 2237951.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. |
2237951.cif 2237951.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237951.cif 2237951.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237951.cif 2237951.hkl |
| 86639 | 2013-07-11 | cif/ Adding structures of 2237951 via cif-deposit CGI script. |
2237951.cif |
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Users of the data should acknowledge the original authors of the
structural data.