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Information card for entry 4087596
Preview
| Coordinates | 4087596.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 Fe2 N2 O6.5 S |
|---|---|
| Calculated formula | C28 H20 Fe2 N2 O6.5 S |
| Title of publication | Di- and Mononuclear Iron Complexes of N,C,S-Tridentate Ligands Containing an Aminopyridyl Group: Effect of the Pendant Amine Site on Catalytic Properties for Proton Reduction |
| Authors of publication | Nakae, Toyotaka; Hirotsu, Masakazu; Kinoshita, Isamu |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 3988 |
| a | 32.002 ± 0.009 Å |
| b | 9.214 ± 0.002 Å |
| c | 21.695 ± 0.006 Å |
| α | 90° |
| β | 121.844 ± 0.003° |
| γ | 90° |
| Cell volume | 5434 ± 2 Å3 |
| Cell temperature | 133 K |
| Ambient diffraction temperature | 133 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.710747 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236865 (current) | 2019-11-24 | cif/ Adding structures of 4087596, 4087597, 4087598, 4087599, 4087600 via cif-deposit CGI script. |
4087596.cif |
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Users of the data should acknowledge the original authors of the
structural data.