Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1547995
Preview
| Coordinates | 1547995.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H91 Cl12 N12 O4 |
|---|---|
| Calculated formula | C48 H84 Cl11.9999 N12 O4 |
| Title of publication | Three-dimensional protonic conductivity in porous organic cage solids |
| Authors of publication | Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper |
| Journal of publication | Nature Communications |
| Year of publication | 2016 |
| Journal volume | 7 |
| Pages of publication | 12750 |
| a | 20.2276 ± 0.0015 Å |
| b | 20.2276 ± 0.0015 Å |
| c | 32.016 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13099.5 ± 1.8 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 76 |
| Hermann-Mauguin space group symbol | P 41 |
| Hall space group symbol | P 4w |
| Residual factor for all reflections | 0.0803 |
| Residual factor for significantly intense reflections | 0.0751 |
| Weighted residual factors for significantly intense reflections | 0.1844 |
| Weighted residual factors for all reflections included in the refinement | 0.1911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6889 Å |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203109 (current) | 2017-11-13 | cif/ Adding structures of 1547995 via cif-deposit CGI script. |
1547995.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.