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Information card for entry 4074304
Preview
| Coordinates | 4074304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C31 H24 N P |
|---|---|
| Calculated formula | C31 H24 N P |
| SMILES | C1(P(=Nc2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2c2ccccc12 |
| 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 | 9.4833 ± 0.0009 Å |
| b | 12.6243 ± 0.0013 Å |
| c | 19.2691 ± 0.0019 Å |
| α | 90° |
| β | 98.991 ± 0.002° |
| γ | 90° |
| Cell volume | 2278.6 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
4074304.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4074304.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. |
4074304.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074304.cif |
| 48299 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074304 via cif-deposit CGI script. |
4074304.cif |
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Users of the data should acknowledge the original authors of the
structural data.