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Information card for entry 4070967
Preview
| Coordinates | 4070967.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H78 Lu N5 |
|---|---|
| Calculated formula | C54 H78 Lu N5 |
| SMILES | [Lu]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(Nc1c(cccc1C(C)C)C(C)C)(Nc1c(cccc1C(C)C)C(C)C)Nc1c(C(C)C)cccc1C(C)C |
| Title of publication | Synthesis, Characterization, and Reactivity of the Thermally Stable Lutetium Tris(alkyl) Complex (tBu2bpy)Lu(CH2SiMe3)3 |
| Authors of publication | Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1299 |
| a | 12.0911 ± 0.0012 Å |
| b | 20.124 ± 0.002 Å |
| c | 21.253 ± 0.002 Å |
| α | 90° |
| β | 99.012 ± 0.001° |
| γ | 90° |
| Cell volume | 5107.5 ± 0.9 Å3 |
| Cell temperature | 141 ± 2 K |
| Ambient diffraction temperature | 141 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070967.cif |
| 178598 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/09. |
4070967.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070967.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070967.cif |
| 42922 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070966, 4070967, 4070968, 4070969, 4070970 via cif-deposit CGI script. |
4070967.cif |
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Users of the data should acknowledge the original authors of the
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