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Information card for entry 4085810
Preview
| Coordinates | 4085810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 Cr O7 P |
|---|---|
| Calculated formula | C24 H25 Cr O7 P |
| SMILES | [C@]12(C(=C([C@@]3([C@H](c4ccccc4)[P@]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(O2)O[C@H]([C@]13C)C)C)C)C)C.[C@@]12(C(=C([C@]3([C@@H](c4ccccc4)[P@@]([Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(O2)O[C@@H]([C@@]13C)C)C)C)C)C |
| Title of publication | Evidence for Terminal Phosphinidene Oxide Complexes in O,P,C-Cage Complex Formation: Rearrangement of Oxaphosphirane Complexes |
| Authors of publication | Streubel, Rainer; Murcia-García, Cristina; Schnakenburg, Gregor; Espinosa Ferao, Arturo |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2676 |
| a | 10.3814 ± 0.0003 Å |
| b | 15.7638 ± 0.001 Å |
| c | 14.7738 ± 0.0008 Å |
| α | 90° |
| β | 99.201 ± 0.003° |
| γ | 90° |
| Cell volume | 2386.6 ± 0.2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 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 | 0.0817 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| 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. |
4085810.cif |
| 140219 | 2015-07-05 | cif/ Updating files of 4085810, 4085811, 4085812, 4085813 Original log message: Adding full bibliography for 4085810--4085813.cif. |
4085810.cif |
| 136839 | 2015-05-18 | cif/ Adding structures of 4085810, 4085811, 4085812, 4085813 via cif-deposit CGI script. |
4085810.cif |
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Users of the data should acknowledge the original authors of the
structural data.