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Information card for entry 1547141
Preview
| Coordinates | 1547141.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C53 H59 B2 Cl4 F3 N4 O3 S |
|---|---|
| Calculated formula | C52.999 H59 B2 Cl4 F2.997 N4 O2.997 S0.999 |
| Title of publication | Crystalline Boron-linked Tetraaminoethylene Radical Cations |
| Authors of publication | Su, Yuanting; Li, Yongxin; Ganguly, Rakesh; Kinjo, Rei |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 21.6523 ± 0.0007 Å |
| b | 12.031 ± 0.0004 Å |
| c | 22.3972 ± 0.0007 Å |
| α | 90° |
| β | 117.882 ± 0.0013° |
| γ | 90° |
| Cell volume | 5157.1 ± 0.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0628 |
| Weighted residual factors for significantly intense reflections | 0.1553 |
| Weighted residual factors for all reflections included in the refinement | 0.1798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200809 (current) | 2017-09-13 | cif/ Adding structures of 1547136, 1547137, 1547138, 1547139, 1547140, 1547141, 1547142 via cif-deposit CGI script. |
1547141.cif |
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Users of the data should acknowledge the original authors of the
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