Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7223820
Preview
| Coordinates | 7223820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | FcPH2 |
|---|---|
| Formula | C10 H11 Fe P |
| Calculated formula | C10 H11 Fe P |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)P)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| 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 | 12.658 ± 0.01 Å |
| b | 7.528 ± 0.005 Å |
| c | 10.432 ± 0.008 Å |
| α | 90° |
| β | 112.071 ± 0.018° |
| γ | 90° |
| Cell volume | 921.2 ± 1.2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| 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 | 0.114 |
| Residual factor for significantly intense reflections | 0.0944 |
| Weighted residual factors for significantly intense reflections | 0.245 |
| Weighted residual factors for all reflections included in the refinement | 0.2629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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. |
7223820.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.