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Information card for entry 4075104
Preview
| Coordinates | 4075104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (3,3-diphenylallenylidene)-triphenylphosphine-ruthenium(ii) |
|---|---|
| Formula | C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2 |
| Calculated formula | C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2 |
| Title of publication | Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand |
| Authors of publication | Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 10 |
| Pages of publication | 2533 |
| a | 12.445 ± 0.006 Å |
| b | 15.072 ± 0.008 Å |
| c | 25.059 ± 0.011 Å |
| α | 87.26 ± 0.04° |
| β | 77.12 ± 0.03° |
| γ | 80.99 ± 0.04° |
| Cell volume | 4525 ± 4 Å3 |
| Cell temperature | 188 ± 2 K |
| Ambient diffraction temperature | 188 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0742 |
| Weighted residual factors for significantly intense reflections | 0.1937 |
| Weighted residual factors for all reflections included in the refinement | 0.2087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178640 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/51. |
4075104.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075104.cif |
| 49072 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075101, 4075102, 4075103, 4075104, 4075105 via cif-deposit CGI script. |
4075104.cif |
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Users of the data should acknowledge the original authors of the
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