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Information card for entry 1558453
Preview
| Coordinates | 1558453.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20.64 H13.44 Au B Cl1.44 F4 N2 |
|---|---|
| Calculated formula | C20.6396 H13.44 Au1.00015 B Cl1.44 F4 N2 |
| Title of publication | Symmetry of Three-Center, Four-Electron Bonds |
| Authors of publication | Reiersolmoen, Ann Chrisitn; Battaglia, Stefano; Øien-Ødegaard, Sigurd; Gupta, Arvind Kumar Kumar; Fiksdahl, Anne; Lindh, Roland; Erdelyi, Mate |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 6.943 ± 0.0004 Å |
| b | 14.1421 ± 0.0009 Å |
| c | 21.3969 ± 0.0014 Å |
| α | 85.536 ± 0.002° |
| β | 86.97 ± 0.002° |
| γ | 78.487 ± 0.002° |
| Cell volume | 2050.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253586 (current) | 2020-07-01 | cif/ Adding structures of 1558451, 1558452, 1558453, 1558454, 1558455 via cif-deposit CGI script. |
1558453.cif |
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