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Information card for entry 4126708
Preview
| Coordinates | 4126708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H69 Li4 N3 O27 Ti2 |
|---|---|
| Calculated formula | C63 H69 Li4 N3 O27 Ti2 |
| Title of publication | Chasing Weak Forces: Hierarchically Assembled Helicates as a Probe for the Evaluation of the Energetics of Weak Interactions. |
| Authors of publication | Van Craen, David; Rath, Wolfgang H.; Huth, Marina; Kemp, Laura; Räuber, Christoph; Wollschläger, Jan M; Schalley, Christoph A.; Valkonen, Arto; Rissanen, Kari; Albrecht, Markus |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 29.1059 ± 0.0015 Å |
| b | 22.5991 ± 0.001 Å |
| c | 25.324 ± 0.0013 Å |
| α | 90° |
| β | 121.121 ± 0.009° |
| γ | 90° |
| Cell volume | 14259.9 ± 1.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.3142 |
| Residual factor for significantly intense reflections | 0.126 |
| Weighted residual factors for significantly intense reflections | 0.3123 |
| Weighted residual factors for all reflections included in the refinement | 0.405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/4126708.html
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