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Information card for entry 2234243
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| Coordinates | 2234243.cif |
|---|---|
| Structure factors | 2234243.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(naphthalen- 1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone hemisolvate |
|---|---|
| Formula | C37.5 H31 O3.5 P Rh |
| Calculated formula | C37.5 H31 O3.5 P Rh |
| SMILES | [Rh]1(OC(=CC(=[O]1)C)C)([P](c1cccc2ccccc12)(c1c2ccccc2ccc1)c1cccc2c1cccc2)C#[O].O=C(C)C |
| Title of publication | (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')carbonyl[tris(naphthalen-1-yl)phosphane-κ<i>P</i>]rhodium(I) acetone hemisolvate |
| Authors of publication | Ogutu, Hezron; Meijboom, Reinout |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m394 |
| a | 19.878 ± 0.0005 Å |
| b | 16.935 ± 0.0005 Å |
| c | 18.806 ± 0.0004 Å |
| α | 90° |
| β | 102.916 ± 0.001° |
| γ | 90° |
| Cell volume | 6170.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for all reflections included in the refinement | 0.0677 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234243.cif 2234243.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2234243.cif 2234243.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234243.cif 2234243.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. | 2234243.cif 2234243.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234243.cif 2234243.hkl |
| 55510 | 2012-05-05 | cif/ Adding structures of 2234243 via cif-deposit CGI script. |
2234243.cif |
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Users of the data should acknowledge the original authors of the
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