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Information card for entry 4074020
Preview
| Coordinates | 4074020.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H42 Cl N2 O P2 Rh |
|---|---|
| Calculated formula | C50 H42 Cl N2 O P2 Rh |
| SMILES | [Rh]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)Oc3ccc(cc3[N]1=Nc1c2cccc1C)C |
| Title of publication | Rhodium-Mediated C‒C Bond Activation of 2-(2′,6′-Dialkylarylazo)-4-methylphenols. Elimination and Migration of Alkyl Groups |
| Authors of publication | Baksi, Suparna; Acharyya, Rama; Basuli, Falguni; Peng, Shie-Ming; Lee, Gene-Hsiang; Nethaji, Munirathinam; Bhattacharya, Samaresh |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 26 |
| Pages of publication | 6596 |
| a | 18.198 ± 0.0007 Å |
| b | 11.9925 ± 0.0005 Å |
| c | 20.5405 ± 0.0008 Å |
| α | 90° |
| β | 112.547 ± 0.001° |
| γ | 90° |
| Cell volume | 4140.1 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0705 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1192 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178629 (current) | 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 4/07/40. |
4074020.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074020.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4074020.cif |
| 46688 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4074020 via cif-deposit CGI script. |
4074020.cif |
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