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Information card for entry 4066885
Preview
| Coordinates | 4066885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H51 Cl Ru2 S Si2 |
|---|---|
| Calculated formula | C32 H36 Cl Ru2 S Si2 |
| SMILES | [c]12([c]3([cH]4[cH]5[cH]6[c]1([Si](C)(C)C)[Ru]178923456[c]2([c]9([c]8([c]7([c]12C)C)C)C)C)[Si](C)(C)C)S[Ru]1234([c]5([c]1([c]2([c]3([c]45C)C)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 | 14.9562 ± 0.0005 Å |
| b | 26.9734 ± 0.0008 Å |
| c | 18.6671 ± 0.0007 Å |
| α | 90° |
| β | 109.586 ± 0.001° |
| γ | 90° |
| Cell volume | 7094.9 ± 0.4 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1324 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1466 |
| Weighted residual factors for all reflections included in the refinement | 0.1922 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| 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. |
4066885.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066885.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066885.cif |
| 34012 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066882, 4066883, 4066884, 4066885 via cif-deposit CGI script. |
4066885.cif |
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Users of the data should acknowledge the original authors of the
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