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Information card for entry 4085910
Preview
| Coordinates | 4085910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | tBuFPyCpFeCl |
|---|---|
| Formula | C26 H31 Cl0.67 F3 Fe0.67 N2 P1.33 |
| Calculated formula | C26 H31 Cl0.666667 F3 Fe0.666667 N2 P1.33333 |
| Title of publication | Iron Complexes Bearing Diphosphine Ligands with Positioned Pendant Amines as Electrocatalysts for the Oxidation of H2 |
| Authors of publication | Liu, Tianbiao; Liao, Qian; O’Hagan, Molly; Hulley, Elliott B.; DuBois, Daniel L.; Bullock, R. Morris |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 2747 |
| a | 14.6246 ± 0.0007 Å |
| b | 15.0454 ± 0.0007 Å |
| c | 18.9262 ± 0.0009 Å |
| α | 90.723 ± 0.002° |
| β | 104.951 ± 0.002° |
| γ | 108.687 ± 0.002° |
| Cell volume | 3790.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0741 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1775 |
| Weighted residual factors for all reflections included in the refinement | 0.1882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085910.cif |
| 140202 | 2015-07-05 | cif/ Updating files of 4085908, 4085909, 4085910, 4085911 Original log message: Adding full bibliography for 4085908--4085911.cif. |
4085910.cif |
| 137265 | 2015-05-23 | cif/ Adding structures of 4085908, 4085909, 4085910, 4085911 via cif-deposit CGI script. |
4085910.cif |
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Users of the data should acknowledge the original authors of the
structural data.