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Information card for entry 4066884
Preview
| Coordinates | 4066884.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H37 Cl Ru S Si2 |
|---|---|
| Calculated formula | C22 H37 Cl Ru S Si2 |
| SMILES | [Ru]123456789([c]%10([c]7([c]5([c]4([c]9%10C)C)C)C)C)[c]4([cH]2[cH]8[cH]6[c]1([c]34S)[Si](C)(C)C)[Si](C)(C)C.[Cl-] |
| Title of publication | Preparation and Reactivity of a Ruthenium Complex Bearing a 2,6-Bis(trimethylsilyl)benzenethiolate Ligand |
| Authors of publication | Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 18 |
| Pages of publication | 4148 |
| a | 11.6073 ± 0.0008 Å |
| b | 14.0285 ± 0.0009 Å |
| c | 16.6412 ± 0.0011 Å |
| α | 67.495 ± 0.002° |
| β | 87.09 ± 0.002° |
| γ | 89.219 ± 0.002° |
| Cell volume | 2500.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 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 | 0.0481 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178560 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/68. |
4066884.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066884.cif |
| 91856 | 2013-12-15 | smi/4 Adding SMILES for a large bunch of metalocene compounds. |
4066884.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066884.cif |
| 34012 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066882, 4066883, 4066884, 4066885 via cif-deposit CGI script. |
4066884.cif |
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Users of the data should acknowledge the original authors of the
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