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Information card for entry 4129953
Preview
| Coordinates | 4129953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H32 N3 O4 Rh |
|---|---|
| Calculated formula | C24 H32 N3 O4 Rh |
| SMILES | [Rh]123(OC(c4[n]1cccc4)(C)C)(OC(c1[n]2cccc1)(C)C)OC(c1[n]3cccc1)(C)C.O |
| Title of publication | A Stable Coordination Complex of Rh(IV) in an N,O-Donor Environment. |
| Authors of publication | Sinha, Shashi B.; Shopov, Dimitar Y.; Sharninghausen, Liam S.; Vinyard, David J.; Mercado, Brandon Q.; Brudvig, Gary W.; Crabtree, Robert H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 50 |
| Pages of publication | 15692 - 15695 |
| a | 8.4392 ± 0.0002 Å |
| b | 8.5761 ± 0.0002 Å |
| c | 17.2066 ± 0.0012 Å |
| α | 77.882 ± 0.006° |
| β | 88.868 ± 0.006° |
| γ | 74.123 ± 0.005° |
| Cell volume | 1170.2 ± 0.1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.02 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.0457 |
| Weighted residual factors for all reflections included in the refinement | 0.0462 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4129953.cif |
| 240570 | 2019-11-25 | cif/ Adding structures of 4129953 via cif-deposit CGI script. |
4129953.cif |
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Users of the data should acknowledge the original authors of the
structural data.