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Information card for entry 2243724
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| Coordinates | 2243724.cif |
|---|---|
| Structure factors | 2243724.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Bis(difluoroboron)bis(pyrrol-2-yl)methylenediaminophenylene |
|---|---|
| Chemical name | (μ-<i>N</i>-[(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]<i>N</i>-{{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)] |
| Formula | C20 H20 B2 F4 N4 |
| Calculated formula | C20 H20 B2 F4 N4 |
| Title of publication | Crystal structure and fluorescence study of (μ-<i>N</i>-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]-<i>N</i>-{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)] |
| Authors of publication | Liu, Xiaoxue; Li, Tuo; Yin, Zhenming |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 126 - 129 |
| a | 20.2495 ± 0.0009 Å |
| b | 6.8046 ± 0.0005 Å |
| c | 13.4969 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1859.73 ± 0.17 Å3 |
| Cell temperature | 109.7 ± 0.5 K |
| Ambient diffraction temperature | 109.7 ± 0.5 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for significantly intense reflections | 0.1163 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2243724.cif 2243724.hkl |
| 260999 | 2021-01-16 | cif/ hkl/ Adding structures of 2243724 via cif-deposit CGI script. |
2243724.cif 2243724.hkl |
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Users of the data should acknowledge the original authors of the
structural data.