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Information card for entry 1558445
Preview
| Coordinates | 1558445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | BaH2S3P2O6.C2H5OH |
|---|---|
| Formula | C2 H8 Ba O7 P2 S3 |
| Calculated formula | C2 H3 Ba O7 P2 S3 |
| Title of publication | The Dihydrogentrisulfanediphosphonate Ion. Preparation and Crystal Structures of BaH2S3P2O6.C2H5OH and [Co(en)2Cl(H2O)]H2S3P2O6.H2O |
| Authors of publication | Janickis, Vitalijus; Maroy, Kjartan |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1994 |
| Journal volume | 48 |
| Pages of publication | 465 - 470 |
| a | 5.809 ± 0.001 Å |
| b | 9.085 ± 0.001 Å |
| c | 12.168 ± 0.001 Å |
| α | 97.17 ± 0.01° |
| β | 102.42 ± 0.01° |
| γ | 104.4 ± 0.01° |
| Cell volume | 596.54 ± 0.14 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.53 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253558 (current) | 2020-06-30 | cif/ Adding structures of 1558445 via cif-deposit CGI script. |
1558445.cif |
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Users of the data should acknowledge the original authors of the
structural data.