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Information card for entry 4070848
Preview
| Coordinates | 4070848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H62 F5 Lu N4 Si |
|---|---|
| Calculated formula | C47 H62 F5 Lu N4 Si |
| SMILES | [Lu]123456(N7C(C=C(C=C7c7[n]1ccc(c7)C(C)(C)C)C(C)(C)C)(C[Si](C)(C)C)c1[n]2ccc(c1)C(C)(C)C)(Nc1c(F)c(F)c(F)c(F)c1F)[c]1([c]4([c]5([c]6([c]31C)C)C)C)C |
| 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 | 21.078 ± 0.003 Å |
| b | 20.523 ± 0.003 Å |
| c | 10.8091 ± 0.0016 Å |
| α | 90° |
| β | 102.5 ± 0.002° |
| γ | 90° |
| Cell volume | 4565 ± 1.2 Å3 |
| Cell temperature | 141 ± 2 K |
| Ambient diffraction temperature | 141 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0815 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1043 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (current) | 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 4/07/08. |
4070848.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070848.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070848.cif |
| 42757 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070847, 4070848 via cif-deposit CGI script. |
4070848.cif |
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Users of the data should acknowledge the original authors of the
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