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Information card for entry 4070847
Preview
| Coordinates | 4070847.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C89.5 H94 Lu N5 Si |
|---|---|
| Calculated formula | C79 H82 Lu N5 Si |
| SMILES | [Lu]12([n]3ccc(cc3C3=CC(=CC(N13)(c1[n]2ccc(c1)C(C)(C)C)C[Si](C)(C)C)C(C)(C)C)C(C)(C)C)(Nc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1)Nc1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Lutetium Alkyls Supported by a Dearomatized and Functionalized Terpyridine Ligand: Preparation of Fluorinated Anilide Complexes |
| 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 | 4 |
| Pages of publication | 803 |
| a | 10.942 ± 0.005 Å |
| b | 14.889 ± 0.006 Å |
| c | 24.479 ± 0.011 Å |
| α | 88.171 ± 0.007° |
| β | 78.202 ± 0.008° |
| γ | 89.766 ± 0.008° |
| Cell volume | 3902 ± 3 Å3 |
| Cell temperature | 141 ± 2 K |
| Ambient diffraction temperature | 141 ± 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 | 0.1438 |
| Residual factor for significantly intense reflections | 0.0792 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4070847.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070847.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070847.cif |
| 42757 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070847, 4070848 via cif-deposit CGI script. |
4070847.cif |
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Users of the data should acknowledge the original authors of the
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