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Information card for entry 4065030
Preview
| Coordinates | 4065030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound X |
|---|---|
| Formula | C72.5 H59 Cl O1.5 P3 Ru |
| Calculated formula | C71 H56 Cl O P3 Ru |
| SMILES | [Ru]1(Cl)([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(C)C/C1=C\c1ccccc1 |
| Title of publication | Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry |
| Authors of publication | Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 17 |
| Pages of publication | 4665 |
| a | 13.55 ± 0.0003 Å |
| b | 18.1803 ± 0.0005 Å |
| c | 27.7471 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6835.3 ± 0.3 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178503 (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 4/06/50. |
4065030.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065030.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065030.cif |
| 33137 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065027, 4065028, 4065029, 4065030 via cif-deposit CGI script. |
4065030.cif |
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