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Information card for entry 7223821
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| Coordinates | 7223821.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | FcPCl2 |
|---|---|
| Formula | C10 H9 Cl2 Fe P |
| Calculated formula | C10 H9 Cl2 Fe P |
| SMILES | [Fe]12345678([c]9(P(Cl)Cl)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51 |
| Title of publication | An efficient, scalable synthesis of ferrocenylphosphine and dichloroferrocenylphosphine |
| Authors of publication | Surgenor, Brian; Taylor, Laurence J.; Nordheider, Andreas; Slawin, Alexandra; Arachchige, Kasun; Woollins, J. D.; Kilian, Petr |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 12.9787 ± 0.0013 Å |
| b | 13.2924 ± 0.0012 Å |
| c | 13.6674 ± 0.0013 Å |
| α | 90° |
| β | 110.613 ± 0.008° |
| γ | 90° |
| Cell volume | 2206.9 ± 0.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0766 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 173729 (current) | 2016-01-09 | cif/ Adding structures of 7223820, 7223821 via cif-deposit CGI script. |
7223821.cif |
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Users of the data should acknowledge the original authors of the
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