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Information card for entry 2312414
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| Coordinates | 2312414.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Sodium bis(malonato)borate monohydrate |
|---|---|
| Chemical name | Poly[aqua[μ~4~-bis(malonato)borato]sodium] |
| Formula | C6 H6 B Na O9 |
| Calculated formula | C6 H6 B Na O9 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of sodium bis-(malonato)borate monohydrate. |
| Authors of publication | Selvi, Ramalingam; Gokila, Govindharajan; Thiruvalluvar, Aravazhi Amalan; Sundararajan, Raju Sarangapani |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 2 |
| Pages of publication | 180 - 183 |
| a | 7.9058 ± 0.0004 Å |
| b | 8.2979 ± 0.0005 Å |
| c | 14.6473 ± 0.0009 Å |
| α | 90° |
| β | 101.565 ± 0.002° |
| γ | 90° |
| Cell volume | 941.38 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0443 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1047 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290319 (current) | 2024-03-05 | cif/ Adding structures of 2312414 via cif-deposit CGI script. |
2312414.cif |
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