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Information card for entry 2238914
Preview
| Coordinates | 2238914.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{μ~4~-<i>N</i>-[phenyl(pyridin-2-ylazanidyl)methyl]pyridin-2-aminido}tetrakis(tetrahydrofuran)tetralithium |
|---|---|
| Formula | C50 H60 Li4 N8 O4 |
| Calculated formula | C50 H60 Li4 N8 O4 |
| SMILES | [Li]12([O]3CCCC3)[N](c3cccc[n]3[Li]34[O]5CCCC5)(C(c5ccccc5)[N]56c7[n]8cccc7)[Li]5([O]5CCCC5)[N]1(c1cccc[n]1[Li]68[O]1CCCC1)C(c1ccccc1)[N]23c1[n]4cccc1 |
| Title of publication | Bis{μ~4~-<i>N</i>-[phenyl(pyridin-2-ylazanidyl)methyl]pyridin-2-aminido}tetrakis(tetrahydrofuran)tetralithium |
| Authors of publication | Chen, Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | m683 |
| a | 10.3322 ± 0.001 Å |
| b | 11.2231 ± 0.0011 Å |
| c | 12.4813 ± 0.0012 Å |
| α | 111.021 ± 0.002° |
| β | 105.355 ± 0.002° |
| γ | 100.763 ± 0.002° |
| Cell volume | 1237.3 ± 0.2 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.1281 |
| Residual factor for significantly intense reflections | 0.0725 |
| Weighted residual factors for significantly intense reflections | 0.2108 |
| Weighted residual factors for all reflections included in the refinement | 0.2434 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2238914.cif |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238914.cif |
| 92318 | 2014-01-12 | cif/ Adding structures of 2238914 via cif-deposit CGI script. |
2238914.cif |
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Users of the data should acknowledge the original authors of the
structural data.