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Information card for entry 7134791
Preview
| Coordinates | 7134791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Li2BDC |
|---|---|
| Formula | C4 H2 Li O2 |
| Calculated formula | C4 H2 Li O2 |
| Title of publication | Chemical Lithiation Reveals the Structures of Conjugated Tetralithium Dicarboxylates |
| Authors of publication | Griffiths, Kieran; Cook, Chris W.; Seymour, Valerie; Bragg, Ryan John; Halcovitch, Nathan Ross; Griffin, John |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 8.35839 ± 0.00016 Å |
| b | 5.13401 ± 0.00012 Å |
| c | 8.4796 ± 0.00016 Å |
| α | 90° |
| β | 93.187 ± 0.0018° |
| γ | 90° |
| Cell volume | 363.314 ± 0.013 Å3 |
| Cell temperature | 290.8 ± 0.4 K |
| Ambient diffraction temperature | 290.8 ± 0.4 K |
| Number of distinct elements | 4 |
| 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 | 0.0292 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300308 (current) | 2025-07-04 | cif/ Adding structures of 7134789, 7134790, 7134791, 7134792 via cif-deposit CGI script. |
7134791.cif |
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Users of the data should acknowledge the original authors of the
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