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Information card for entry 7024147
Preview
| Coordinates | 7024147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C62 H77 N4 P4 Pr Si4 |
|---|---|
| Calculated formula | C62 H77 N4 P4 Pr Si4 |
| SMILES | [Pr]123(C(=P(c4ccccc4)(c4ccccc4)N1[Si](C)(C)C)P(c1ccccc1)(c1ccccc1)=[N]2[Si](C)(C)C)[N]([Si](C)(C)C)=P(c1ccccc1)(c1ccccc1)C=P(c1ccccc1)(c1ccccc1)N3[Si](C)(C)C |
| Title of publication | Lanthanide tri-benzyl complexes: structural variations and useful precursors to phosphorus-stabilised lanthanide carbenes. |
| Authors of publication | Wooles, Ashley J.; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 2 |
| Pages of publication | 500 - 510 |
| a | 31.291 ± 0.004 Å |
| b | 25.714 ± 0.004 Å |
| c | 21.013 ± 0.003 Å |
| α | 90° |
| β | 131.112 ± 0.002° |
| γ | 90° |
| Cell volume | 12738 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0837 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1139 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7024147.cif |
| 179946 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41. |
7024147.cif |
| 92206 | 2014-01-12 | cif/ Adding structures of 7024145, 7024146, 7024147, 7024148, 7024149, 7024150, 7024151, 7024152, 7024153, 7024154 via cif-deposit CGI script. |
7024147.cif |
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Users of the data should acknowledge the original authors of the
structural data.