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Information card for entry 4085924
Preview
| Coordinates | 4085924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C236 H300 Br8 Fe4 N12 O6 |
|---|---|
| Calculated formula | C236 H300 Br8 Fe4 N12 O6 |
| Title of publication | Mono- and Dinuclear Neutral and Cationic Iron(II) Compounds Supported by an Amidinato-diolefin Ligand: Characterization and Catalytic Application |
| Authors of publication | Lichtenberg, Crispin; Adelhardt, Mario; Wörle, Michael; Büttner, Torsten; Meyer, Karsten; Grützmacher, Hansjörg |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 12 |
| Pages of publication | 3079 |
| a | 15.5268 ± 0.0005 Å |
| b | 20.3772 ± 0.0007 Å |
| c | 21.466 ± 0.0006 Å |
| α | 61.992 ± 0.003° |
| β | 71.252 ± 0.003° |
| γ | 83.089 ± 0.003° |
| Cell volume | 5674.3 ± 0.4 Å3 |
| Cell temperature | 105.5 ± 0.3 K |
| Ambient diffraction temperature | 105.5 ± 0.3 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1086 |
| Residual factor for significantly intense reflections | 0.069 |
| Weighted residual factors for significantly intense reflections | 0.1832 |
| Weighted residual factors for all reflections included in the refinement | 0.2056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4085924.cif |
| 141379 | 2015-07-09 | cif/ Updating files of 4085916, 4085917, 4085918, 4085919, 4085920, 4085921, 4085922, 4085923, 4085924, 4085925, 4085926 Original log message: Adding full bibliography for 4085916--4085926.cif. |
4085924.cif |
| 137762 | 2015-06-04 | cif/ Adding structures of 4085916, 4085917, 4085918, 4085919, 4085920, 4085921, 4085922, 4085923, 4085924, 4085925, 4085926 via cif-deposit CGI script. |
4085924.cif |
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Users of the data should acknowledge the original authors of the
structural data.