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Information card for entry 4063894
Preview
| Coordinates | 4063894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru{η^5^-C~5~(CH~3~)~5~}{κ^2^ P,N- ^i^Pr~2~PNHpy}][PF~6~] |
|---|---|
| Chemical name | Carbonyl-(Pentahapto-pentamethylcyclopentadienyl)-(2-diisopropylphosphineamine -pyridine)-ruthenium (II) hexafluorophosphate |
| Formula | C22 H34 F6 N2 O P2 Ru |
| Calculated formula | C22 H34 F6 N2 O P2 Ru |
| SMILES | [Ru]12345([P](Nc6[n]1cccc6)(C(C)C)C(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#[O].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Nucleophilic Addition Reactions to Allenylidene Complexes of Ruthenium Bearing Hemilabile P,N Ligands: Isolation of the Vinylcarbene Complex [Cp*Ru═CHCH═CPh2(iPr2PNHPy)][PF6] |
| Authors of publication | Hyder, Iqbal; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 4 |
| Pages of publication | 726 |
| a | 11.7839 ± 0.0007 Å |
| b | 15.3362 ± 0.0009 Å |
| c | 14.5275 ± 0.0009 Å |
| α | 90° |
| β | 100.413 ± 0.001° |
| γ | 90° |
| Cell volume | 2582.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0334 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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 |
|---|---|---|---|
| 178533 (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 4/06/38. |
4063894.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063894.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063894.cif |
| 32712 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063887, 4063888, 4063889, 4063890, 4063891, 4063892, 4063893, 4063894 via cif-deposit CGI script. |
4063894.cif |
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