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Information card for entry 2238906
Preview
| Coordinates | 2238906.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (3-Methylbenzonitrile-κ<i>N</i>)tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>) |
|---|---|
| Formula | C40 H39 N5 O4 Rh2 |
| Calculated formula | C40 H39 N5 O4 Rh2 |
| SMILES | [Rh]1234([Rh]([O]=C(N3c3ccccc3)C)([O]=C(N4c3ccccc3)C)(N(C(=[O]1)C)c1ccccc1)N(C(=[O]2)C)c1ccccc1)[N]#Cc1cc(ccc1)C |
| Title of publication | (3-Methylbenzonitrile-κ<i>N</i>)tetrakis(μ-<i>N</i>-phenylacetamidato)-κ^4^<i>N</i>:<i>O</i>;κ^4^<i>O</i>:<i>N</i>-dirhodium(II)(<i>Rh</i>—<i>Rh</i>) |
| Authors of publication | Eagle, Cassandra T.; Atem-Tambe, Nkongho; Kpogo, Kenneth K.; Tan, Jennie; Quarshie, Fredricka |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | m639 |
| a | 11.7109 ± 0.0013 Å |
| b | 13.0181 ± 0.0014 Å |
| c | 13.398 ± 0.0014 Å |
| α | 72.337 ± 0.005° |
| β | 66.78 ± 0.005° |
| γ | 82.742 ± 0.006° |
| Cell volume | 1788.6 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 | 0.0861 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.0903 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238906.cif |
| 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. |
2238906.cif |
| 92298 | 2014-01-12 | cif/ Adding structures of 2238906 via cif-deposit CGI script. |
2238906.cif |
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Users of the data should acknowledge the original authors of the
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