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Information card for entry 4131918
Preview
| Coordinates | 4131918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H108 Ca2 O6 |
|---|---|
| Calculated formula | C55 H108 Ca2 O6 |
| 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 | 12.3787 ± 0.0012 Å |
| b | 19.6198 ± 0.0018 Å |
| c | 12.7078 ± 0.0012 Å |
| α | 90° |
| β | 111.5 ± 0.001° |
| γ | 90° |
| Cell volume | 2871.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
4131918.cif |
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Users of the data should acknowledge the original authors of the
structural data.