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Information card for entry 4069513
Preview
| Coordinates | 4069513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H41 Cl4 N2 P Ru |
|---|---|
| Calculated formula | C30 H41 Cl4 N2 P Ru |
| SMILES | C(=N\[P](c1ccccc1)(c1ccccc1)[Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C)(Cl)Cl)/N(C(C)C)C(C)C.C(Cl)Cl |
| Title of publication | Crucial Role of the Amidine Moiety in Methylenamino Phosphine-Type Ligands for the Synthesis of Tethered η6-Arene-η1-PRuthenium(II) Complexes: Experimental and Theoretical Studies |
| Authors of publication | Arquier, Damien; Vendier, Laure; Miqueu, Karinne; Sotiropoulos, Jean-Marc; Bastin, Stéphanie; Igau, Alain |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 17 |
| Pages of publication | 4945 |
| a | 10.1652 ± 0.0014 Å |
| b | 11.161 ± 0.0016 Å |
| c | 15.292 ± 0.002 Å |
| α | 82.819 ± 0.016° |
| β | 85.629 ± 0.016° |
| γ | 71.34 ± 0.017° |
| Cell volume | 1629.6 ± 0.4 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 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 | 0.1724 |
| Residual factor for significantly intense reflections | 0.1016 |
| Weighted residual factors for significantly intense reflections | 0.251 |
| Weighted residual factors for all reflections included in the refinement | 0.2921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.904 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178584 (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 4/06/95. |
4069513.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069513.cif |
| 40311 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069505, 4069506, 4069507, 4069508, 4069509, 4069510, 4069511, 4069512, 4069513 via cif-deposit CGI script. |
4069513.cif |
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Users of the data should acknowledge the original authors of the
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