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Information card for entry 4081360
Preview
| Coordinates | 4081360.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H52 F6 Fe O3 P4 |
|---|---|
| Calculated formula | C49 H52 F6 Fe O3 P4 |
| SMILES | [Fe]12345([P](c6ccccc6)(c6ccccc6)C[C@H]([P]1(c1ccccc1)c1ccccc1)C)([P](OC)(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.[P](F)(F)(F)(F)(F)[F-].O(C(=O)C)CC |
| Title of publication | Tuning the Dissociation of the Fe‒PPh2(OR) Bond in Chiral-at-Metal Complexes [CpFe(Prophos)PPh2(OR)]PF6(R = Me, Et,iPr,tBu). The Preparative Trick of N2Bubbling |
| Authors of publication | Brunner, Henri; Kurosawa, Takaki; Muschiol, Manfred; Tsuno, Takashi; Balázs, Gábor; Bodensteiner, Michael |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 17 |
| Pages of publication | 4904 |
| a | 11.36 ± 0.004 Å |
| b | 18.091 ± 0.005 Å |
| c | 11.767 ± 0.003 Å |
| α | 90° |
| β | 107.386 ± 0.01° |
| γ | 90° |
| Cell volume | 2307.8 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.06 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| 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 |
|---|---|---|---|
| 178702 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/13. |
4081360.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4081360.cif |
| 89214 | 2013-10-09 | cif/ Adding structures of 4081359, 4081360, 4081361, 4081362, 4081363 via cif-deposit CGI script. |
4081360.cif |
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