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Information card for entry 4072909
Preview
| Coordinates | 4072909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H28 Cl N2 P Ru |
|---|---|
| Calculated formula | C32 H28 Cl N2 P Ru |
| SMILES | [Ru]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([n]4c(cccc4)C=C1)[n]1c(cccc1)[CH]2=[CH2]3 |
| Title of publication | Cyclometalation of 2-Vinylpyridine with MCl2(PPh3)3and MHCl(PPh3)3(M = Ru, Os) |
| Authors of publication | Zhang, Li; Dang, Li; Wen, Ting Bin; Sung, Herman H.-Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 11 |
| Pages of publication | 2849 |
| a | 9.3139 ± 0.0011 Å |
| b | 14.6492 ± 0.0018 Å |
| c | 19.876 ± 0.002 Å |
| α | 99.525 ± 0.002° |
| β | 97.661 ± 0.002° |
| γ | 91.188 ± 0.002° |
| Cell volume | 2648.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0626 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178618 (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 4/07/29. |
4072909.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072909.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072909.cif |
| 46069 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072908, 4072909, 4072910, 4072911 via cif-deposit CGI script. |
4072909.cif |
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