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Information card for entry 1556660
Preview
| Coordinates | 1556660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H44 Cr F6 Li N2 O6 |
|---|---|
| Calculated formula | C32 H44 Cr F6 Li N2 O6 |
| SMILES | [Cr]123([O](C(C)(C)C)[Li]([O]1C(C)(C)C)([O]1CCCC1)[O]1CCCC1)(OC(=Cc1[n]3cccc1)C(F)(F)F)OC(=Cc1[n]2cccc1)C(F)(F)F |
| Title of publication | Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials |
| Authors of publication | Ojelere, O.; Graf, D.; Mathur, S. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 22 |
| a | 14.8499 ± 0.0006 Å |
| b | 10.7574 ± 0.0005 Å |
| c | 22.6334 ± 0.0011 Å |
| α | 90° |
| β | 90.059 ± 0.004° |
| γ | 90° |
| Cell volume | 3615.6 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1149 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1627 |
| Weighted residual factors for all reflections included in the refinement | 0.1826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1556660.cif |
| 245380 | 2019-12-19 | cif/ Adding structures of 1556660 via cif-deposit CGI script. |
1556660.cif |
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Users of the data should acknowledge the original authors of the
structural data.