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Information card for entry 4341842
Preview
| Coordinates | 4341842.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(2-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-phenolato)-me- thoxy-oxo-rhenium(V) |
|---|---|
| Formula | C23 H27 N2 O6 Re |
| Calculated formula | C23 H27 N2 O6 Re |
| Title of publication | Oxorhenium(V) Complexes with Phenolate-Oxazoline Ligands: Influence of the Isomeric Form on the O-Atom-Transfer Reactivity. |
| Authors of publication | Schachner, Jörg A; Terfassa, Belina; Peschel, Lydia M.; Zwettler, Niklas; Belaj, Ferdinand; Cias, Pawel; Gescheidt, Georg; Mösch-Zanetti, Nadia C |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141202093244006 |
| a | 17.8638 ± 0.0006 Å |
| b | 8.6385 ± 0.0003 Å |
| c | 14.9031 ± 0.0005 Å |
| α | 90° |
| β | 111.176 ± 0.001° |
| γ | 90° |
| Cell volume | 2144.5 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0181 |
| Residual factor for significantly intense reflections | 0.0172 |
| Weighted residual factors for significantly intense reflections | 0.0444 |
| Weighted residual factors for all reflections included in the refinement | 0.0451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4341842.cif |
| 179521 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18. |
4341842.cif |
| 128247 | 2014-12-06 | cif/ Adding structures of 4341842, 4341843, 4341844, 4341845 via cif-deposit CGI script. |
4341842.cif |
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Users of the data should acknowledge the original authors of the
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