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Information card for entry 4074269
Preview
| Coordinates | 4074269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70 H68 B O2 P3 Rh2 |
|---|---|
| Calculated formula | C70 H68 B O2 P3 Rh2 |
| SMILES | CC1(OB([RhH]2345([P](c6ccccc6)(c6ccccc6)c6ccccc6)[cH]6[cH]2[cH]4[cH]5[cH]36)OC1(C)C)C.[Rh]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]2[cH]4[cH]3[cH]15 |
| Title of publication | Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers |
| Authors of publication | Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 21 |
| Pages of publication | 5093 |
| a | 12.001 ± 0.0007 Å |
| b | 14.0158 ± 0.0008 Å |
| c | 18.2082 ± 0.0011 Å |
| α | 72.634 ± 0.001° |
| β | 85.868 ± 0.001° |
| γ | 89.726 ± 0.001° |
| Cell volume | 2915 ± 0.3 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0838 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178631 (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 4/07/42. |
4074269.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074269.cif |
| 48276 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074266, 4074267, 4074268, 4074269, 4074270, 4074271 via cif-deposit CGI script. |
4074269.cif |
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Users of the data should acknowledge the original authors of the
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