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Information card for entry 4066381
Preview
| Coordinates | 4066381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H52 Fe P2 Ru |
|---|---|
| Calculated formula | C32 H52 Fe P2 Ru |
| SMILES | [RuH]12345([P]([c]67[Fe]89%10%11%12%13%14([cH]6[cH]8[cH]9[cH]7%10)[c]6([P]1(C(C)C)C(C)C)[cH]%11[cH]%12[cH]%13[cH]%146)(C(C)C)C(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C |
| Title of publication | Ambi-Valence Taken Literally: Ruthenium vs Iron Oxidation in (1,1′-Diphosphinoferrocene)ruthenium(II) Hydride and Chloride Complexes as Deduced from Spectroelectrochemistry of the Heterodimetallic “Mixed-Valent” Intermediates† |
| Authors of publication | Sixt, Torsten; Sieger, Monika; Krafft, Michael J.; Bubrin, Denis; Fiedler, Jan; Kaim, Wolfgang |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5511 |
| a | 11.286 ± 0.002 Å |
| b | 17.747 ± 0.004 Å |
| c | 15.738 ± 0.003 Å |
| α | 90° |
| β | 95.47 ± 0.03° |
| γ | 90° |
| Cell volume | 3137.9 ± 1.1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1431 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.619 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178555 (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 4/06/63. |
4066381.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066381.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066381.cif |
| 33877 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066381 via cif-deposit CGI script. |
4066381.cif |
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Users of the data should acknowledge the original authors of the
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