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Information card for entry 2020896
Preview
| Coordinates | 2020896.cif |
|---|---|
| Structure factors | 2020896.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tribenzylbis(tetrahydrofuran-κ<i>O</i>)lutetium(III) |
|---|---|
| Formula | C29 H37 Lu O2 |
| Calculated formula | C29 H37 Lu O2 |
| SMILES | [Lu]([O]1CCCC1)([O]1CCCC1)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1 |
| Title of publication | Crystal structure of tribenzylbis(tetrahydrofuran-κO)lutetium(III) |
| Authors of publication | Saliu, Kuburat O.; Takats, Josef; McDonald, Robert |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 88 |
| a | 7.7103 ± 0.0007 Å |
| b | 12.7416 ± 0.0011 Å |
| c | 14.2187 ± 0.0012 Å |
| α | 75.1572 ± 0.0011° |
| β | 77.8324 ± 0.0011° |
| γ | 73.4904 ± 0.0011° |
| Cell volume | 1280.16 ± 0.19 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0213 |
| Weighted residual factors for significantly intense reflections | 0.0494 |
| Weighted residual factors for all reflections included in the refinement | 0.0506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205167 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 2020896 via cif-deposit CGI script. |
2020896.cif 2020896.hkl |
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Users of the data should acknowledge the original authors of the
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