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Information card for entry 4074305
Preview
| Coordinates | 4074305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H31 N P Rh |
|---|---|
| Calculated formula | C38 H31 N P Rh |
| SMILES | [Rh]1234([N](c5ccccc5)=P(C15c1ccccc1c1ccccc15)(c1ccccc1)c1ccccc1)[CH]1=[CH]2C2[CH]3=[CH]4C1C2 |
| Title of publication | Enforced η1-Fluorenyl Coordination to Rhodium(I) with the [FluPPh2NPh]-Ligand |
| Authors of publication | Freund, Christelle; Barros, Noémi; Gornitzka, Heinz; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 20 |
| Pages of publication | 4927 |
| a | 9.6858 ± 0.0008 Å |
| b | 11.6141 ± 0.001 Å |
| c | 13.675 ± 0.0011 Å |
| α | 106.982 ± 0.001° |
| β | 94.884 ± 0.002° |
| γ | 96.293 ± 0.002° |
| Cell volume | 1451.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4074305.cif |
| 178632 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/43. |
4074305.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074305.cif |
| 48300 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074305 via cif-deposit CGI script. |
4074305.cif |
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Users of the data should acknowledge the original authors of the
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