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Information card for entry 4080121
Preview
| Coordinates | 4080121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H60 K2 N2 P4 S2 Si2 |
|---|---|
| Calculated formula | C56 H60 K2 N2 P4 S2 Si2 |
| SMILES | [K+].N(=P(C=P([S-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C |
| Title of publication | (Iminophosphoranyl)(thiophosphoranyl)methanide {CH(PPh2NSiMe3)(Ph2PS)}−as a Ligand in Rare-Earth-Element Chemistry |
| Authors of publication | Murugesapandian, Balasubramanian; Kuzdrowska, Magdalena; Gamer, Michael T.; Hartenstein, Larissa; Roesky, Peter W. |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 5 |
| Pages of publication | 1500 - 1506 |
| a | 11.5785 ± 0.0005 Å |
| b | 14.3272 ± 0.0005 Å |
| c | 16.7733 ± 0.0008 Å |
| α | 90° |
| β | 97.621 ± 0.004° |
| γ | 90° |
| Cell volume | 2757.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0898 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.803 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4080121.cif |
| 178690 | 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 4/08/01. |
4080121.cif |
| 76873 | 2013-03-21 | cif/ Adding structures of 4080121, 4080122, 4080123, 4080124, 4080125, 4080126, 4080127 via cif-deposit CGI script. |
4080121.cif |
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Users of the data should acknowledge the original authors of the
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