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Information card for entry 2234179
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| Coordinates | 2234179.cif |
|---|---|
| Structure factors | 2234179.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(4- chlorophenyl)phosphane-κ<i>P</i>]rhodium(I) |
|---|---|
| Formula | C24 H19 Cl3 O3 P Rh |
| Calculated formula | C24 H19 Cl3 O3 P Rh |
| SMILES | [Rh]1(OC(=CC(=[O]1)C)C)([P](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C#[O] |
| Title of publication | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(4-chlorophenyl)phosphane-κ<i>P</i>]rhodium(I) |
| Authors of publication | Antonels, Nathan C.; Meijboom, Reinout |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m509 |
| a | 9.6528 ± 0.0017 Å |
| b | 11.535 ± 0.002 Å |
| c | 12.875 ± 0.002 Å |
| α | 65.211 ± 0.003° |
| β | 72.095 ± 0.004° |
| γ | 72.757 ± 0.004° |
| Cell volume | 1214.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for all reflections included in the refinement | 0.0629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181263 (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 2/23/41. |
2234179.cif 2234179.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. |
2234179.cif 2234179.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234179.cif 2234179.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. | 2234179.cif 2234179.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234179.cif 2234179.hkl |
| 55442 | 2012-05-05 | cif/ Adding structures of 2234179 via cif-deposit CGI script. |
2234179.cif |
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Users of the data should acknowledge the original authors of the
structural data.