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Information card for entry 4071000
Preview
| Coordinates | 4071000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | complex 10 |
|---|---|
| Formula | C40 H48 O4 Ru2 Si4 |
| Calculated formula | C40 H48 O4 Ru2 Si4 |
| SMILES | [cH]12[cH]3[cH]4[Ru]567813(C#[O])[c]12[c]28[c]45C(c3cccc(c3O2)[Si](C)(C)[Ru]23458(C#[O])([c]9([cH]2[cH]3[cH]4[c]25[c]89Oc3c(cccc3C2(C)C)[Si]6(C)C)[Si]7(C)C)[Si]1(C)C)(C)C |
| Title of publication | [Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)] |
| Authors of publication | Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 5 |
| Pages of publication | 918 |
| a | 10.3381 ± 0.0004 Å |
| b | 10.4244 ± 0.0006 Å |
| c | 10.4263 ± 0.0005 Å |
| α | 93.4825 ± 0.0014° |
| β | 115.924 ± 0.001° |
| γ | 109.649 ± 0.003° |
| Cell volume | 922.64 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0491 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1175 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178599 (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 4/07/10. |
4071000.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071000.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071000.cif |
| 42970 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070996, 4070997, 4070998, 4070999, 4071000 via cif-deposit CGI script. |
4071000.cif |
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Users of the data should acknowledge the original authors of the
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