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Information card for entry 1520230
Preview
| Coordinates | 1520230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H32 Fe N2 P2 |
|---|---|
| Calculated formula | C26 H32 Fe N2 P2 |
| SMILES | [Fe]123([P](C)(C)C)([P](C)(C)C)[n]4ccccc4C=C2c2ccccc2C3=Cc2[n]1cccc2 |
| Title of publication | Fe(iv) alkylidenes via protonation of Fe(ii) vinyl chelates and a comparative Mössbauer spectroscopic study |
| Authors of publication | Lindley, Brian M.; Swidan, Ala'aeddeen; Lobkovsky, Emil B.; Wolczanski, Peter T.; Adelhardt, Mario; Sutter, Jörg; Meyer, Karsten |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 8 |
| Pages of publication | 4730 |
| a | 10.2138 ± 0.0008 Å |
| b | 10.6014 ± 0.0008 Å |
| c | 12.4208 ± 0.001 Å |
| α | 88.674 ± 0.004° |
| β | 67.062 ± 0.003° |
| γ | 89.687 ± 0.004° |
| Cell volume | 1238.24 ± 0.17 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1692 |
| Weighted residual factors for all reflections included in the refinement | 0.1766 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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. |
1520230.cif |
| 153074 | 2015-08-08 | cif/ Updating files of 1520227, 1520228, 1520229, 1520230 Original log message: Adding full bibliography for 1520227--1520230.cif. |
1520230.cif |
| 137847 | 2015-06-04 | cif/ Adding structures of 1520227, 1520228, 1520229, 1520230 via cif-deposit CGI script. |
1520230.cif |
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Users of the data should acknowledge the original authors of the
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