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Information card for entry 1559127
Preview
| Coordinates | 1559127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Barium oxalate monodeuterate BaC2O4.D2O |
|---|---|
| Formula | C2 Ba D2 O5 |
| Calculated formula | C2 Ba D2 O5 |
| SMILES | C(=O)([O-])C(=O)[O-].[Ba+2].O([2H])[2H] |
| Title of publication | Hydrogen Bonds in the Structure of BaC2O4.D2O |
| Authors of publication | Christensen, A. Norlund |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1992 |
| Journal volume | 46 |
| Pages of publication | 240 - 243 |
| a | 10.0648 ± 0.0003 Å |
| b | 7.935 ± 0.0002 Å |
| c | 6.8503 ± 0.0002 Å |
| α | 90° |
| β | 122.35 ± 0.02° |
| γ | 90° |
| Cell volume | 462.18 ± 0.1 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| RFsqd | 0.084 |
| Residual factor R(I) for significantly intense reflections | 0.101 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.909 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256571 (current) | 2020-09-21 | cif/ Adding structures of 1559127 via cif-deposit CGI script. |
1559127.cif |
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