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Information card for entry 1519633
Preview
| Coordinates | 1519633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H7 F5 Mo O3 |
|---|---|
| Calculated formula | C15 H7 F5 Mo O3 |
| SMILES | [Mo]1234([cH]5[cH]4[cH]3[cH]2[cH]15)(Cc1c(F)c(F)c(F)c(F)c1F)(C#[O])(C#[O])C#[O] |
| Title of publication | Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts |
| Authors of publication | Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. |
| Journal of publication | Catal. Sci. Technol. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 10 |
| Pages of publication | 4772 |
| a | 8.1106 ± 0.0002 Å |
| b | 14.7261 ± 0.0004 Å |
| c | 12.4891 ± 0.0003 Å |
| α | 90° |
| β | 100.409 ± 0.001° |
| γ | 90° |
| Cell volume | 1467.12 ± 0.06 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0179 |
| Residual factor for significantly intense reflections | 0.0153 |
| Weighted residual factors for significantly intense reflections | 0.0358 |
| Weighted residual factors for all reflections included in the refinement | 0.0369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation probe | x-ray |
| 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. |
1519633.cif |
| 171425 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with empty values from multiple entries. |
1519633.cif |
| 170919 | 2015-12-09 | cif/ Updating files of 1519632, 1519633 Original log message: Adding full bibliography for 1519632--1519633.cif. |
1519633.cif |
| 136479 | 2015-05-14 | cif/ Adding structures of 1519632, 1519633 via cif-deposit CGI script. |
1519633.cif |
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Users of the data should acknowledge the original authors of the
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