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Information card for entry 7031767
Preview
| Coordinates | 7031767.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 Br2 Fe N3 O |
|---|---|
| Calculated formula | C20 H28 Br2 Fe N3 O |
| SMILES | Br[Fe]12(Br)Oc3c(cc(cc3C=[N]1CCc1[n]2c[nH]c1)C(C)(C)C)C(C)(C)C |
| Title of publication | (Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions. |
| Authors of publication | Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 37 |
| Pages of publication | 13913 - 13923 |
| a | 7.931 ± 0.002 Å |
| b | 14.457 ± 0.004 Å |
| c | 20.04 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2297.8 ± 1.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0273 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7031767.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7031767.cif |
| 123472 | 2014-09-08 | cif/ Updating files of 7031766, 7031767, 7031768 Original log message: Adding full bibliography for 7031766--7031768.cif. |
7031767.cif |
| 120869 | 2014-07-29 | cif/ Adding structures of 7031766, 7031767, 7031768 via cif-deposit CGI script. |
7031767.cif |
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