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Information card for entry 4315951
Preview
| Coordinates | 4315951.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {κ^1^ P-2-[(Diisopropylphosphanyl)-methyl]-quinoline}-trihydrido-(pentahapto-pentamethyl-cyclopentadienyl)-ruthenium (IV) |
|---|---|
| Formula | C26 H40 N P Ru |
| Calculated formula | C26 H40 N P Ru |
| SMILES | [RuH3]1234([P](Cc5nc6c(cc5)cccc6)(C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C |
| Title of publication | Proton-Transfer Reactions to Half-Sandwich Ruthenium Trihydride Complexes Bearing Hemilabile P,N Ligands: Experimental and Density Functional Theory Studies |
| Authors of publication | Manuel Jiménez-Tenorio; M. Carmen Puerta; Pedro Valerga; Salvador Moncho; Gregori Ujaque; Agustí Lledós |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Journal issue | 13 |
| Pages of publication | 6035 - 6057 |
| a | 8.838 ± 0.0018 Å |
| b | 10.743 ± 0.002 Å |
| c | 14.114 ± 0.003 Å |
| α | 93.17 ± 0.03° |
| β | 92.68 ± 0.03° |
| γ | 112.14 ± 0.03° |
| Cell volume | 1236.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179239 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/59. |
4315951.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
4315951.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315951.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315951.cif |
| 9118 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4315951 via cif-deposit CGI script. |
4315951.cif |
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