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Information card for entry 4079304
Preview
| Coordinates | 4079304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 14 |
|---|---|
| Formula | C47 H46 O1.5 P2 Ru |
| Calculated formula | C47 H46 O1.5 P2 Ru |
| SMILES | C1[C]2(=[CH]3[C]4(C)=[O][Ru]51234(c1c([P]5(c2ccccc2)c2ccccc2)cccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)C.c1ccccc1.C(C)OCC |
| Title of publication | Half-Sandwich Ruthenium-Phosphine Complexes with Pentadienyl and Oxo- and Azapentadienyl Ligands |
| Authors of publication | Reyna-Madrigal, Amira; Moreno-Gurrola, Anabel; Perez-Camacho, Odilia; Navarro-Clemente, M. Elena; Juárez-Saavedra, Patricia; Leyva-Ramirez, Marco A.; Arif, Atta M.; Ernst, Richard D.; Paz-Sandoval, M. Angeles |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 20 |
| Pages of publication | 7125 |
| a | 10.8659 ± 0.0001 Å |
| b | 23.4861 ± 0.0004 Å |
| c | 15.9331 ± 0.0002 Å |
| α | 90° |
| β | 94.569 ± 0.001° |
| γ | 90° |
| Cell volume | 4053.17 ± 0.09 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1322 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1478 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268283 (current) | 2021-08-30 | cif/4: Fixing Z values and formulae |
4079304.cif |
| 178682 | 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 4/07/93. |
4079304.cif |
| 107967 | 2014-03-25 | cif/4 Changing the � entity to the proper non-English character for many entries in subdir 4 |
4079304.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079304.cif |
| 72395 | 2013-01-21 | cif/ Adding structures of 4079304 via cif-deposit CGI script. |
4079304.cif |
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