Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551910
Preview
| Coordinates | 1551910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Cu O5 |
|---|---|
| Calculated formula | C10 H8 Cu O5 |
| Title of publication | Hydrolytic stability in hemilabile metal-organic frameworks |
| Authors of publication | Lauren N. McHugh; Matthew J. McPherson; Laura J. McCormick; Samuel A. Morris; Paul S. Wheatley; Simon J. Teat; David McKay; Daniel M. Dawson; Charlotte E. F. Sansome; Sharon E. Ashbrook; Corinne A. Stone; Martin W. Smith; Russell E. Morris |
| Journal of publication | Nature Chemistry |
| Year of publication | 2018 |
| Journal volume | 10 |
| Pages of publication | 1096 - 1102 |
| a | 33.028 ± 0.003 Å |
| b | 33.028 ± 0.003 Å |
| c | 5.2047 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 4916.9 ± 0.8 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 157 |
| Hermann-Mauguin space group symbol | P 3 1 m |
| Hall space group symbol | P 3 -2 |
| Residual factor for all reflections | 0.1685 |
| Residual factor for significantly intense reflections | 0.1515 |
| Weighted residual factors for significantly intense reflections | 0.3291 |
| Weighted residual factors for all reflections included in the refinement | 0.341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216575 (current) | 2019-06-26 | cif/ Adding structures of 1551910 via cif-deposit CGI script. |
1551910.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.