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Information card for entry 4085920
Preview
| Coordinates | 4085920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H70 B2 Fe N6 |
|---|---|
| Calculated formula | C78 H70 B2 Fe N6 |
| SMILES | [Fe]([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 37.7072 ± 0.0015 Å |
| b | 11.5665 ± 0.0004 Å |
| c | 28.6833 ± 0.0011 Å |
| α | 90° |
| β | 94.711 ± 0.003° |
| γ | 90° |
| Cell volume | 12467.7 ± 0.8 Å3 |
| Cell temperature | 105.6 ± 0.6 K |
| Ambient diffraction temperature | 105.6 ± 0.6 K |
| Number of distinct elements | 5 |
| 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 | 0.169 |
| Residual factor for significantly intense reflections | 0.0851 |
| Weighted residual factors for significantly intense reflections | 0.1928 |
| Weighted residual factors for all reflections included in the refinement | 0.2399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 153466 (current) | 2015-08-16 | cif/4 Fixing some Z values and formulae |
4085920.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. |
4085920.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. |
4085920.cif |
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