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Information card for entry 4086016
Preview
| Coordinates | 4086016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H18 F10 N3 O2 Re |
|---|---|
| Calculated formula | C25 H18 F10 N3 O2 Re |
| SMILES | [Re]12(=O)(C(=O)Cc3ccccc3)N(c3c(c(c(c(c3F)F)F)F)F)CC[N]1(C)CCN2c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Synthesis and Reactivity of Oxorhenium(V) Methyl, Benzyl, and Phenyl Complexes with CO: Implications for a Unique Mechanism for Migratory Insertion |
| Authors of publication | Robbins, Leanna K.; Lilly, Cassandra P.; Smeltz, Jessica L.; Boyle, Paul D.; Ison, Elon A. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 13 |
| Pages of publication | 3152 |
| a | 8.113 ± 0.003 Å |
| b | 13.613 ± 0.003 Å |
| c | 24.25 ± 0.009 Å |
| α | 90° |
| β | 96.911 ± 0.013° |
| γ | 90° |
| Cell volume | 2658.8 ± 1.5 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 K |
| Number of distinct elements | 6 |
| 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 | 0.0657 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4086016.cif |
| 152886 | 2015-08-05 | cif/ Updating files of 4086014, 4086015, 4086016 Original log message: Adding full bibliography for 4086014--4086016.cif. |
4086016.cif |
| 139929 | 2015-07-03 | cif/ Adding structures of 4086014, 4086015, 4086016 via cif-deposit CGI script. |
4086016.cif |
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Users of the data should acknowledge the original authors of the
structural data.