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Information card for entry 2312755
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| Coordinates | 2312755.cif |
|---|---|
| Structure factors | 2312755.hkl |
| Original IUCr paper | HTML |
| Common name | Potassium dihydrobis(pyrazol-1-yl)borate |
|---|---|
| Chemical name | Poly[[μ~4~-dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']potassium(I)] |
| Formula | C28 H28 B K |
| Calculated formula | C28 H28 B K |
| SMILES | [K+].c1(C[B](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)ccccc1 |
| Title of publication | Magnesium and potassium scorpionate complexes based on dihydrobis(pyrazolyl)borate. |
| Authors of publication | Loroño-González, Marcos A; Loroño-González, Daniel J |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | Pt 3 |
| Pages of publication | 131 - 139 |
| a | 10.0571 ± 0.0011 Å |
| b | 9.6814 ± 0.0011 Å |
| c | 11.689 ± 0.005 Å |
| α | 90° |
| β | 103.002 ± 0.002° |
| γ | 90° |
| Cell volume | 1108.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0859 |
| Weighted residual factors for all reflections included in the refinement | 0.0893 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299168 (current) | 2025-04-05 | cif/ Updating files of 2312754, 2312755 Original log message: Adding full bibliography for 2312754--2312755.cif. |
2312755.cif 2312755.hkl |
| 297631 | 2025-02-07 | cif/ hkl/ Adding structures of 2312754, 2312755 via cif-deposit CGI script. |
2312755.cif 2312755.hkl |
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Users of the data should acknowledge the original authors of the
structural data.