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Information card for entry 2022962
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| Coordinates | 2022962.cif |
|---|---|
| Structure factors | 2022962.hkl |
| Original IUCr paper | HTML |
| Chemical name | μ-Biphenyl-4,4'-disulfonato-bis(aqualithium) |
|---|---|
| Formula | C12 H12 Li2 O8 S2 |
| Calculated formula | C12 H12 Li2 O8 S2 |
| Title of publication | Crystal structure of dilithium biphenyl-4,4'-di-sulfonate dihydrate. |
| Authors of publication | Kumagai, Hitoshi; Kawata, Satoshi; Ogihara, Nobuhiro |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 1 |
| Pages of publication | 22 - 24 |
| a | 15.8584 ± 0.0011 Å |
| b | 5.3693 ± 0.0004 Å |
| c | 8.8636 ± 0.0006 Å |
| α | 90° |
| β | 99.994 ± 0.007° |
| γ | 90° |
| Cell volume | 743.27 ± 0.09 Å3 |
| Cell temperature | 286 K |
| Ambient diffraction temperature | 286 K |
| Number of distinct elements | 5 |
| 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 | 0.0683 |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for significantly intense reflections | 0.1551 |
| Weighted residual factors for all reflections included in the refinement | 0.1593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289680 (current) | 2024-02-05 | cif/ Updating files of 2022962 Original log message: Adding full bibliography for 2022962.cif. |
2022962.cif 2022962.hkl |
| 288281 | 2023-12-13 | cif/ hkl/ Adding structures of 2022962 via cif-deposit CGI script. |
2022962.cif 2022962.hkl |
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Users of the data should acknowledge the original authors of the
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