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Information card for entry 2312754
Preview
| Coordinates | 2312754.cif |
|---|---|
| Structure factors | 2312754.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Dihydridobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']tris(tetrahydrofuran-κ<i>O</i>)magnesium(II) tetrabenzylborate |
|---|---|
| Formula | C46 H60 B2 Mg N4 O3 |
| Calculated formula | C46 H60 B2 Mg N4 O3 |
| 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 | 3 |
| a | 12.567 ± 0.002 Å |
| b | 23.718 ± 0.004 Å |
| c | 15.746 ± 0.003 Å |
| α | 90° |
| β | 111.012 ± 0.004° |
| γ | 90° |
| Cell volume | 4381.2 ± 1.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1524 |
| Residual factor for significantly intense reflections | 0.0949 |
| Weighted residual factors for significantly intense reflections | 0.1827 |
| Weighted residual factors for all reflections included in the refinement | 0.2049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297631 (current) | 2025-02-07 | cif/ hkl/ Adding structures of 2312754, 2312755 via cif-deposit CGI script. |
2312754.cif 2312754.hkl |
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Users of the data should acknowledge the original authors of the
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