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Information card for entry 1543876
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| Coordinates | 1543876.cif |
|---|---|
| Structure factors | 1543876.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[dihydrobis(pyrazol-1-yl-κ<i>N</i>^2^)borato]bis(methanol-κ<i>O</i>)iron(II) |
|---|---|
| Formula | C14 H24 B2 Fe N8 O2 |
| Calculated formula | C14 H24 B2 Fe N8 O2 |
| SMILES | [Fe]12([OH]C)([OH]C)([n]3n(ccc3)[BH2]n3[n]1ccc3)[n]1n(ccc1)[BH2]n1[n]2ccc1 |
| Title of publication | Bis[dihydrobis(pyrazol-1-yl-κN2)borato]bis(methanol-κO)iron(II) |
| Authors of publication | Ossinger, Sascha; Näther, Christian; Tuczek, Felix |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 8 |
| Pages of publication | x161252 |
| a | 9.743 ± 0.0005 Å |
| b | 8.6535 ± 0.0003 Å |
| c | 12.3173 ± 0.0006 Å |
| α | 90° |
| β | 111.67 ± 0.004° |
| γ | 90° |
| Cell volume | 965.09 ± 0.08 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0385 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300370 (current) | 2025-07-05 | Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
1543876.cif 1543876.hkl |
| 185718 | 2016-08-10 | cif/ hkl/ Adding structures of 1543876 via cif-deposit CGI script. |
1543876.cif 1543876.hkl |
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Users of the data should acknowledge the original authors of the
structural data.