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Information card for entry 4085909
Preview
| Coordinates | 4085909.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5 |
|---|---|
| Calculated formula | C27 H39.75 Cl0.75 F3.75 Fe0.75 N2.25 P1.5 |
| 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 | 20.6241 ± 0.0004 Å |
| b | 20.6241 ± 0.0004 Å |
| c | 17.184 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6330 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 170 |
| Hermann-Mauguin space group symbol | P 65 |
| Hall space group symbol | P 65 |
| Residual factor for all reflections | 0.0552 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.145 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4085909.cif |
| 176428 | 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. |
4085909.cif |
| 140202 | 2015-07-05 | cif/ Updating files of 4085908, 4085909, 4085910, 4085911 Original log message: Adding full bibliography for 4085908--4085911.cif. |
4085909.cif |
| 137265 | 2015-05-23 | cif/ Adding structures of 4085908, 4085909, 4085910, 4085911 via cif-deposit CGI script. |
4085909.cif |
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Users of the data should acknowledge the original authors of the
structural data.