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Information card for entry 4086513
Preview
| Coordinates | 4086513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H38 N2 Th |
|---|---|
| Calculated formula | C30 H38 N2 Th |
| Title of publication | Preparation of (η5-C5Me5)2Th(bipy) and Its Reactivity toward Small Molecules |
| Authors of publication | Yang, Pikun; Zhou, Enwei; Fang, Bo; Hou, Guohua; Zi, Guofu; Walter, Marc D. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| a | 11.9574 ± 0.0007 Å |
| b | 23.0099 ± 0.0013 Å |
| c | 19.0773 ± 0.0011 Å |
| α | 90° |
| β | 95.581 ± 0.001° |
| γ | 90° |
| Cell volume | 5224 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0391 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183320 (current) | 2016-06-11 | cif/ Adding structures of 4086513, 4086514, 4086515, 4086516, 4086517, 4086518, 4086519, 4086520, 4086521, 4086522, 4086523 via cif-deposit CGI script. |
4086513.cif |
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Users of the data should acknowledge the original authors of the
structural data.