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Information card for entry 4070939
Preview
| Coordinates | 4070939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H28 Cl P Ru |
|---|---|
| Calculated formula | C24 H28 Cl P Ru |
| SMILES | C1C[Ru]23456([c]7(C)[cH]2[cH]3[c]4([cH]5[cH]67)C(C)C)([P]1(c1ccccc1)c1ccccc1)Cl |
| Title of publication | Synthesis and Reactivity of Ruthenium Arene Complexes Incorporating Novel Ph2PCH2CH2BR2Ligands. Easy Access to the Four-Membered Ruthenacycle [(p-cymene)RuCl(κC,P-CH2CH2PPh2)] |
| Authors of publication | Vergnaud, Jérôme; Grellier, Mary; Bouhadir, Ghenwa; Vendier, Laure; Sabo-Etienne, Sylviane; Bourissou, Didier |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1140 |
| a | 7.942 ± 0.0004 Å |
| b | 11.1756 ± 0.0005 Å |
| c | 13.0715 ± 0.0006 Å |
| α | 77.024 ± 0.004° |
| β | 73.311 ± 0.004° |
| γ | 82.677 ± 0.004° |
| Cell volume | 1080.47 ± 0.09 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0545 |
| Weighted residual factors for all reflections included in the refinement | 0.0589 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.917 |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178598 (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 4/07/09. |
4070939.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070939.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070939.cif |
| 42868 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070939 via cif-deposit CGI script. |
4070939.cif |
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Users of the data should acknowledge the original authors of the
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