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Information card for entry 4070997
Preview
| Coordinates | 4070997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | complex 4 |
|---|---|
| Formula | C29 H51 O2 P3 Ru Si2 |
| Calculated formula | C29 H51 O2 P3 Ru Si2 |
| SMILES | [Ru]1([Si](C)(C)c2cccc3c2Oc2c([Si]1(C)C)cccc2C3(C)C)(C#[O])([P](C)(C)C)([P](C)(C)C)[P](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 | 17.0553 ± 0.0004 Å |
| b | 20.1437 ± 0.0006 Å |
| c | 19.2039 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6597.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1011 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.226 |
| 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 |
|---|---|---|---|
| 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. |
4070997.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070997.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070997.cif |
| 42970 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070996, 4070997, 4070998, 4070999, 4071000 via cif-deposit CGI script. |
4070997.cif |
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