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Information card for entry 4078285
Preview
| Coordinates | 4078285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H44 Cl2 Fe N O5 P Ru |
|---|---|
| Calculated formula | C38 H44 Cl2 Fe N O5 P Ru |
| SMILES | COC(=O)CNC(=O)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]8[cH]7[cH]6[cH]12)[P](c1ccccc1)(c1ccccc1)[Ru]12345([c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C)(Cl)Cl.CO.CO |
| Title of publication | Heterodinuclear Arene Ruthenium Complexes Containing a Glycine-Derived Phosphinoferrocene Carboxamide: Synthesis, Molecular Structure, Electrochemistry, and Catalytic Oxidation Activity in Aqueous Media |
| Authors of publication | Tauchman, Jiří; Therrien, Bruno; Süss-Fink, Georg; Štěpnička, Petr |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 10 |
| Pages of publication | 3985 |
| a | 14.1705 ± 0.0006 Å |
| b | 12.5822 ± 0.0004 Å |
| c | 21.6166 ± 0.0008 Å |
| α | 90° |
| β | 98.452 ± 0.003° |
| γ | 90° |
| Cell volume | 3812.3 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1421 |
| Residual factor for significantly intense reflections | 0.1136 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.354 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178671 (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 4/07/82. |
4078285.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078285.cif |
| 59881 | 2012-06-14 | cif/ Adding structures of 4078285, 4078286 via cif-deposit CGI script. |
4078285.cif |
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Users of the data should acknowledge the original authors of the
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