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Information card for entry 4079844
Preview
| Coordinates | 4079844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C81.5 H85 B3 Li4 O4 P6 Si |
|---|---|
| Calculated formula | C78 H81 B3 Li4 O4 P6 Si |
| SMILES | P1(=[O]23[Li]4[O]56=P(C=[P](c7ccccc7)(c7ccccc7)[BH]7[H][Li]895([O]54=P(C=[P](c4ccccc4)(c4ccccc4)[BH]4[H][Li]25([O]8([Si](C)(C)C)[Li]2369[H][BH]([P](=C1)(c1ccccc1)c1ccccc1)[H]2)[H]4)(c1ccccc1)c1ccccc1)[H]7)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Phosphorus(V)-Stabilized Geminal Dianions. The Cases of Mixed P═X/P→BH3(X = S, O) and P═S/SiMe3Derivatives |
| Authors of publication | Heuclin, Hadrien; Fustier-Boutignon, Marie; Ho, Samuel Ying-Fu; Goff, Xavier-Frédéric Le; Carenco, Sophie; So, Cheuk-Wai; Mézailles, Nicolas |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 2 |
| Pages of publication | 498 |
| a | 12.909 ± 0.001 Å |
| b | 23.904 ± 0.001 Å |
| c | 26.912 ± 0.001 Å |
| α | 105.11 ± 0.001° |
| β | 99.058 ± 0.001° |
| γ | 92.24 ± 0.001° |
| Cell volume | 7889.3 ± 0.8 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0843 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4079844.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079844.cif |
| 74081 | 2013-02-21 | cif/ Adding structures of 4079837, 4079838, 4079839, 4079840, 4079841, 4079842, 4079843, 4079844 via cif-deposit CGI script. |
4079844.cif |
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Users of the data should acknowledge the original authors of the
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