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Information card for entry 4131916
Preview
| Coordinates | 4131916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H110 B2 Ca2 N12 O3 |
|---|---|
| Calculated formula | C62 H110 B2 Ca2 N12 O3 |
| Title of publication | Dimethylcalcium. |
| Authors of publication | Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 6 |
| Pages of publication | 2373 - 2383 |
| a | 11.6278 ± 0.0011 Å |
| b | 15.9075 ± 0.0015 Å |
| c | 19.5703 ± 0.0018 Å |
| α | 79.691 ± 0.002° |
| β | 80.461 ± 0.002° |
| γ | 80.899 ± 0.002° |
| Cell volume | 3481.3 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0572 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| 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 |
|---|---|---|---|
| 242005 (current) | 2019-11-25 | cif/ Adding structures of 4131913, 4131914, 4131915, 4131916, 4131917, 4131918, 4131919, 4131920 via cif-deposit CGI script. |
4131916.cif |
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Users of the data should acknowledge the original authors of the
structural data.