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Information card for entry 4067586
Preview
| Coordinates | 4067586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H56 B N4 O4 Rh |
|---|---|
| Calculated formula | C51 H56 B N4 O4 Rh |
| SMILES | [Rh]1234([n]5c(C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)cccc5)OC(=O)O4.[B-](c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C.O |
| Title of publication | Carbonyl Complexes of Rhodium with N-Donor Ligands: Factors Determining the Formation of Terminal versus Bridging Carbonyls |
| Authors of publication | Dzik, Wojciech I.; Creusen, Charlotte; de Gelder, René; Peters, Theo P. J.; Smits, Jan M. M.; de Bruin, Bas |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 1629 |
| a | 9.9552 ± 0.0009 Å |
| b | 24.1566 ± 0.0007 Å |
| c | 21.377 ± 0.002 Å |
| α | 90° |
| β | 96.852 ± 0.008° |
| γ | 90° |
| Cell volume | 5104.1 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0896 |
| Residual factor for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections | 0.1393 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1393 |
| Goodness-of-fit parameter for all reflections | 1.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4067586.cif |
| 178566 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75. |
4067586.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067586.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067586.cif |
| 34237 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067583, 4067584, 4067585, 4067586 via cif-deposit CGI script. |
4067586.cif |
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Users of the data should acknowledge the original authors of the
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