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Information card for entry 7112257
Preview
| Coordinates | 7112257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H40 Fe2 O4 P2 |
|---|---|
| Calculated formula | C34 H40 Fe2 O4 P2 |
| SMILES | [Fe]1234([Fe]567([P](c8c([C]96=[CH]5[CH]4=[C]3([CH]2=[CH]79)c2c([P]1(C(C)C)C(C)C)cccc2)cccc8)(C(C)C)C(C)C)(C#[O])C#[O])(C#[O])C#[O] |
| Title of publication | Arene non-innocence in dinuclear complexes of Fe, Co, and Ni supported by a para-terphenyl diphosphine |
| Authors of publication | Kyle T. Horak; Alexandra Velian; Michael W. Day; Theodor Agapie |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4427 |
| a | 14.3107 ± 0.0005 Å |
| b | 11.4723 ± 0.0004 Å |
| c | 20.2029 ± 0.0007 Å |
| α | 90° |
| β | 108.029 ± 0.0018° |
| γ | 90° |
| Cell volume | 3153.98 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0421 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.89 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.