Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546753
Preview
| Coordinates | 1546753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H30 F3 Mn N6 O9 S2 |
|---|---|
| Calculated formula | C31 H30 F2.9999 Mn N6 O8.9999 S2 |
| Title of publication | Light-responsive paper strips as CO-releasing material with a colourimetric response |
| Authors of publication | Reddy G., Upendar; Liu, Jingjing; Hoffmann, Patrick; Steinmetzer, Johannes; Görls, Helmar; Kupfer, Stephan; Askes, Sven H. C.; Neugebauer, Ute; Gräfe, Stefanie; Schiller, Alexander |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 10.5628 ± 0.0002 Å |
| b | 13.4613 ± 0.0003 Å |
| c | 26.2818 ± 0.0005 Å |
| α | 79.225 ± 0.001° |
| β | 83.349 ± 0.001° |
| γ | 75.404 ± 0.001° |
| Cell volume | 3543.33 ± 0.13 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.104 |
| Residual factor for significantly intense reflections | 0.0887 |
| Weighted residual factors for significantly intense reflections | 0.2279 |
| Weighted residual factors for all reflections included in the refinement | 0.2428 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199478 (current) | 2017-08-03 | cif/ Adding structures of 1546753 via cif-deposit CGI script. |
1546753.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.