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Information card for entry 4108747
Preview
| Coordinates | 4108747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H39 I P2 Ru |
|---|---|
| Calculated formula | C36 H39 I P2 Ru |
| SMILES | I[Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N2 |
| Authors of publication | Natalie D. Coombs; Dragoslav Vidovic; Joanna K. Day; Amber L. Thompson; Delphine D. Le Pevelen; Andreas Stasch; William Clegg; Luca Russo; Louise Male; Michael B. Hursthouse; David J. Willock; Simon Aldridge |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 16111 - 16124 |
| a | 11.1829 ± 0.0002 Å |
| b | 17.9378 ± 0.0004 Å |
| c | 16.8549 ± 0.0003 Å |
| α | 90° |
| β | 108.825 ± 0.0013° |
| γ | 90° |
| Cell volume | 3200.19 ± 0.11 Å3 |
| Cell temperature | 210 K |
| Ambient diffraction temperature | 210 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 | 0.099 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections | 0.1454 |
| Weighted residual factors for significantly intense reflections | 0.1262 |
| Weighted residual factors for all reflections included in the refinement | 0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9846 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4108747.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108747.cif |
| 57115 | 2012-05-16 | cif/ Adding structures of 4108747 via cif-deposit CGI script. |
4108747.cif |
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Users of the data should acknowledge the original authors of the
structural data.