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Information card for entry 4065811
Preview
| Coordinates | 4065811.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46.5 H86 Cl4 N2 P2 Ru |
|---|---|
| Calculated formula | C46.5 H86 Cl4 N2 P2 Ru |
| SMILES | [RuH](Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)=C1N(C=CN1C(C)C)C(C)C.ClCCl.ClCCl |
| Title of publication | Five-Coordinate Hydrido−Ruthenium(II) Complexes Featuring N-Heterocyclic Silylene and Carbene Ligands |
| Authors of publication | Cade, Ian A.; Hill, Anthony F.; Kämpfe, Alexander; Wagler, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 18 |
| Pages of publication | 4012 |
| a | 10.1582 ± 0.0003 Å |
| b | 13.6688 ± 0.0004 Å |
| c | 18.9367 ± 0.0004 Å |
| α | 96.311 ± 0.002° |
| β | 90.1073 ± 0.0018° |
| γ | 105.557 ± 0.0014° |
| Cell volume | 2516.34 ± 0.12 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.0669 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for all reflections | 0.1484 |
| Weighted residual factors for significantly intense reflections | 0.1371 |
| Weighted residual factors for all reflections included in the refinement | 0.1484 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0326 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4065811.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065811.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065811.cif |
| 33696 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065810, 4065811 via cif-deposit CGI script. |
4065811.cif |
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Users of the data should acknowledge the original authors of the
structural data.