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Information card for entry 4064132
Preview
| Coordinates | 4064132.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H24 B Cl N6 Ru |
|---|---|
| Calculated formula | C19 H24 B Cl N6 Ru |
| SMILES | [Ru]123456(Cl)([n]7n([BH](n8[n]2ccc8)n2nccc2)ccc7)[c]2([cH]3[cH]6[c]1([cH]5[cH]42)C)C(C)C |
| Title of publication | Coordination Chemistry of the (η6-p-Cymene)ruthenium(II) Fragment with Bis-, Tris-, and Tetrakis(pyrazol-1-yl)borate Ligands: Synthesis, Structural, Electrochemical, and Catalytic Diastereoselective Nitroaldol Reaction Studies |
| Authors of publication | Pettinari, Claudio; Marchetti, Fabio; Cerquetella, Adele; Pettinari, Riccardo; Monari, Magda; Mac Leod, Tatiana C. O.; Martins, Luísa M. D. R. S.; Pombeiro, Armando J. L. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1616 |
| a | 7.8295 ± 0.0003 Å |
| b | 15.47 ± 0.0006 Å |
| c | 17.3123 ± 0.0007 Å |
| α | 90° |
| β | 100.905 ± 0.001° |
| γ | 90° |
| Cell volume | 2059.04 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178535 (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 4/06/41. |
4064132.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064132.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064132.cif |
| 32796 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064132 via cif-deposit CGI script. |
4064132.cif |
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