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Information card for entry 4123329
Preview
| Coordinates | 4123329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H23 Cl6 P Si2 |
|---|---|
| Calculated formula | C15 H23 Cl6 P Si2 |
| Title of publication | Carbene-dichlorosilylene stabilized phosphinidenes exhibiting strong intramolecular charge transfer transition. |
| Authors of publication | Roy, Sudipta; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; Frenking, Gernot; Roesky, Herbert W. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 1 |
| Pages of publication | 150 - 153 |
| a | 9.812 ± 0.002 Å |
| b | 13.784 ± 0.002 Å |
| c | 18.184 ± 0.003 Å |
| α | 79.47 ± 0.02° |
| β | 82.48 ± 0.02° |
| γ | 75.52 ± 0.03° |
| Cell volume | 2331.7 ± 0.8 Å3 |
| Cell temperature | 101 ± 2 K |
| Ambient diffraction temperature | 101 ± 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0658 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123329.cif |
| 179035 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/33. |
4123329.cif |
| 130310 | 2015-02-03 | cif/ Adding structures of 4123329 via cif-deposit CGI script. |
4123329.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.