Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1558485
Preview
| Coordinates | 1558485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H164 Cl Ge N2 Rh Si6 |
|---|---|
| Calculated formula | C104 H164 Cl Ge N2 Rh Si6 |
| Title of publication | Exohedral functionalization vs. core expansion of siliconoids with Group 9 metals: catalytic activity in alkene isomerization |
| Authors of publication | Poitiers, Nadine Elisabeth; Giarrana, Luisa; Huch, Volker; Zimmer, Michael; Scheschkewitz, David |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 29.9006 ± 0.0013 Å |
| b | 22.525 ± 0.0008 Å |
| c | 32.5302 ± 0.0012 Å |
| α | 90° |
| β | 103.5 ± 0.002° |
| γ | 90° |
| Cell volume | 21304.1 ± 1.4 Å3 |
| Cell temperature | 202 ± 2 K |
| Ambient diffraction temperature | 202 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1527 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253684 (current) | 2020-07-03 | cif/ Adding structures of 1558481, 1558482, 1558483, 1558484, 1558485, 1558486 via cif-deposit CGI script. |
1558485.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.