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Information card for entry 1558452
Preview
| Coordinates | 1558452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20.66 H13.5 Ag B Cl1.5 F4 N2 |
|---|---|
| Calculated formula | C20.658 H13.5 Ag B Cl1.5 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 | 6.987 ± 0.005 Å |
| b | 13.924 ± 0.01 Å |
| c | 21.312 ± 0.015 Å |
| α | 85.099 ± 0.015° |
| β | 86.731 ± 0.015° |
| γ | 81.161 ± 0.015° |
| Cell volume | 2039 ± 3 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 | 0.1252 |
| Residual factor for significantly intense reflections | 0.0832 |
| Weighted residual factors for significantly intense reflections | 0.1778 |
| Weighted residual factors for all reflections included in the refinement | 0.2086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| 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. |
1558452.cif |
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Users of the data should acknowledge the original authors of the
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