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Information card for entry 4086178
Preview
| Coordinates | 4086178.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [(PSi(Cl)P)Pt][EtCB11Cl11] |
|---|---|
| Formula | C27 H41 B11 Cl12 P2 Pt Si |
| Calculated formula | C27 H41 B11 Cl12 P2 Pt Si |
| SMILES | [Pt]12([Si](Cl)(c3c([P]2(C(C)C)C(C)C)cccc3)c2c([P]1(C(C)C)C(C)C)cccc2)[Cl][B]1234[B]567(Cl)[B]892(Cl)[B]2%106(Cl)[C]6%118([B]849(Cl)[B]491(Cl)[B]135(Cl)[B]354(Cl)[B]26(Cl)([B]7%1013Cl)[B]%11895Cl)CC |
| Title of publication | Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum |
| Authors of publication | DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 16 |
| Pages of publication | 3930 |
| a | 16.208 ± 0.005 Å |
| b | 20.077 ± 0.006 Å |
| c | 16.004 ± 0.005 Å |
| α | 90° |
| β | 116.319 ± 0.003° |
| γ | 90° |
| Cell volume | 4668 ± 2 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0327 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0583 |
| Weighted residual factors for all reflections included in the refinement | 0.0601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
| 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. |
4086178.cif |
| 154740 | 2015-09-06 | cif/ Updating files of 4086177, 4086178, 4086179, 4086180, 4086181 Original log message: Adding full bibliography for 4086177--4086181.cif. |
4086178.cif |
| 152947 | 2015-08-06 | cif/ Adding structures of 4086177, 4086178, 4086179, 4086180, 4086181 via cif-deposit CGI script. |
4086178.cif |
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Users of the data should acknowledge the original authors of the
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