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Information card for entry 7054598
Preview
| Coordinates | 7054598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H45 Cl2 O P Ru |
|---|---|
| Calculated formula | C28 H45 Cl2 O P Ru |
| SMILES | [Ru]1(Cl)(Cl)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[O](c2c(C=1)cccc2)C(C)C |
| Title of publication | Synthesis and characterization of non-chelating ruthenium‒indenylidene olefin metathesis catalysts derived from substituted 1,1-diphenyl-2-propyn-1-ols |
| Authors of publication | Yu, Baoyi; Xie, Yu; Hamad, Fatma B.; Leus, Karen; Lyapkov, Alex A.; Van Hecke, Kristof; Verpoort, Francis |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 1858 |
| a | 11.4775 ± 0.0003 Å |
| b | 19.2194 ± 0.0005 Å |
| c | 25.7969 ± 0.0006 Å |
| α | 90° |
| β | 96.478 ± 0.002° |
| γ | 90° |
| Cell volume | 5654.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.1065 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1042 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180099 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45. |
7054598.cif |
| 133471 | 2015-03-06 | cif/ Updating files of 7054596, 7054597, 7054598, 7054599, 7054600, 7054601, 7054602, 7054603 Original log message: Adding full bibliography for 7054596--7054603.cif. |
7054598.cif |
| 129031 | 2014-12-24 | cif/ Adding structures of 7054596, 7054597, 7054598, 7054599, 7054600, 7054601, 7054602, 7054603 via cif-deposit CGI script. |
7054598.cif |
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Users of the data should acknowledge the original authors of the
structural data.