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Information card for entry 1548005
Preview
| Coordinates | 1548005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H60 N2 P2 Si4 Th |
|---|---|
| Calculated formula | C39 H60 N2 P2 Si4 Th |
| Title of publication | The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes |
| Authors of publication | Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle |
| Journal of publication | Nature Communications |
| Year of publication | 2017 |
| Journal volume | 8 |
| Pages of publication | 14137 |
| a | 19.2611 ± 0.0016 Å |
| b | 19.2083 ± 0.0018 Å |
| c | 12.23 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4524.8 ± 0.7 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90.15 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.1123 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.2095 |
| Weighted residual factors for all reflections included in the refinement | 0.2391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1548005.cif |
| 203120 | 2017-11-13 | cif/ Adding structures of 1548005 via cif-deposit CGI script. |
1548005.cif |
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Users of the data should acknowledge the original authors of the
structural data.