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Information card for entry 4320609
Preview
| Coordinates | 4320609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Li4(ONep)4(Py)3 |
|---|---|
| Chemical name | Lithium Neo-pentoxide pyridine |
| Formula | C35 H59 Li4 N3 O4 |
| Calculated formula | C35 H59 Li4 N3 O4 |
| SMILES | [Li]12[O]3([Li]4([n]5ccccc5)[O]1([Li]1([n]5ccccc5)[O]2([Li]3([n]2ccccc2)[O]41CC(C)(C)C)CC(C)(C)C)CC(C)(C)C)CC(C)(C)C |
| Title of publication | Structural Diversity of Lithium Neopentoxide Compounds |
| Authors of publication | Timothy J. Boyle; Todd M. Alam; Kelly P. Peters; Mark A. Rodriguez |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 6281 - 6286 |
| a | 10.552 ± 0.004 Å |
| b | 10.572 ± 0.004 Å |
| c | 10.724 ± 0.004 Å |
| α | 105.271 ± 0.005° |
| β | 112.677 ± 0.005° |
| γ | 101.756 ± 0.005° |
| Cell volume | 1000.3 ± 0.7 Å3 |
| Cell temperature | 168 ± 2 K |
| Ambient diffraction temperature | 168 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0989 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1663 |
| Weighted residual factors for all reflections included in the refinement | 0.1879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.957 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320609.cif |
| 179309 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/06. |
4320609.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320609.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320609.cif |
| 17805 | 2011-04-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4320609 via cif-deposit CGI script. |
4320609.cif |
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Users of the data should acknowledge the original authors of the
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