Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7118159
Preview
| Coordinates | 7118159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H38 Ag Br N2 |
|---|---|
| Calculated formula | C27 H38 Ag Br N2 |
| SMILES | C1(N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Ag]Br |
| Title of publication | Structure and bonding of [(SIPr)AgX] (X = Cl, Br, I and OTf |
| Authors of publication | Valerie H. L. Wong; Andrew J. P. White; T. S. Andy Hor; King Kuok (Mimi) Hii |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 17752 |
| a | 10.94396 ± 0.00018 Å |
| b | 12.5589 ± 0.0002 Å |
| c | 19.9805 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2746.2 ± 0.08 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.058 |
| Weighted residual factors for all reflections included in the refinement | 0.0644 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 171421 (current) | 2015-12-10 | cif/ Adding structures of 7118157, 7118158, 7118159, 7118160 via cif-deposit CGI script. |
7118159.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.