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Information card for entry 4084657
Preview
| Coordinates | 4084657.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H42 Cl Ge P3 |
|---|---|
| Calculated formula | C54 H42 Cl Ge P3 |
| SMILES | [Ge](Cl)(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, Geometry, and Bonding Nature of Heptacoordinate Compounds of Silicon and Germanium Featuring Three Phosphine Donors |
| Authors of publication | Kameo, Hajime; Kawamoto, Tatsuya; Sakaki, Shigeyoshi; Bourissou, Didier; Nakazawa, Hiroshi |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 22 |
| Pages of publication | 6557 |
| a | 10.897 Å |
| b | 10.9471 ± 0.0001 Å |
| c | 21.4751 ± 0.0004 Å |
| α | 89.9 ± 0.005° |
| β | 75.394 ± 0.004° |
| γ | 64.167 ± 0.003° |
| Cell volume | 2213.99 ± 0.1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0507 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178735 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46. |
4084657.cif |
| 131443 | 2015-02-07 | cif/ Updating files of 4084655, 4084656, 4084657, 4084658, 4084659, 4084660 Original log message: Adding full bibliography for 4084655--4084660.cif. |
4084657.cif |
| 126629 | 2014-11-07 | cif/ Adding structures of 4084655, 4084656, 4084657, 4084658, 4084659, 4084660 via cif-deposit CGI script. |
4084657.cif |
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Users of the data should acknowledge the original authors of the
structural data.