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Information card for entry 1558454
Preview
| Coordinates | 1558454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H36 B F24 N4 Na |
|---|---|
| Calculated formula | C72 H36 B F24 N4 Na |
| 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 | 18.2569 ± 0.0017 Å |
| b | 25.817 ± 0.002 Å |
| c | 27.739 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13074 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.145 |
| Residual factor for significantly intense reflections | 0.1096 |
| Weighted residual factors for significantly intense reflections | 0.2315 |
| Weighted residual factors for all reflections included in the refinement | 0.25 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.156 |
| Diffraction radiation probe | x-ray |
| 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. |
1558454.cif |
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Users of the data should acknowledge the original authors of the
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