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Information card for entry 4306491
Preview
| Coordinates | 4306491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {κ^4^ C,C',C'',P-trihapto-3-Benzhydrylidene-4-diisopropylphosphanylamino- 1-diisopropylphosphanyl-pyrrolidine-2-yl}-(pentahapto-pentamethyl- cyclopentadienyl)-ruthenium (II) |
|---|---|
| Formula | C39 H58 N2 P2 Ru |
| Calculated formula | C39 H58 N2 P2 Ru |
| SMILES | [Ru]1234567([P](NC8[C]6(=[CH]5N(P(C(C)C)C(C)C)C8)C7(c5ccccc5)c5ccccc5)(C(C)C)C(C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)C |
| Title of publication | Formation of a Coordinated 2-Aminoethylidene Ligand and Its Rearrangement by Deprotonation into a Phosphinoallyl Ligand Containing a Pyrrolidin-2-yl Ring |
| Authors of publication | M. Carmen Puerta; Pedro Valerga; M. Dolores Palacios |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 8598 - 8600 |
| a | 10.3935 ± 0.0007 Å |
| b | 14.4955 ± 0.001 Å |
| c | 24.1928 ± 0.0017 Å |
| α | 90° |
| β | 93.251 ± 0.001° |
| γ | 90° |
| Cell volume | 3639 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0372 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.0788 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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 |
|---|---|---|---|
| 179102 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/64. |
4306491.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306491.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306491.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306491.cif |
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