Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 3500035
Preview
| Coordinates | 3500035.cif |
|---|---|
| Structure factors | 3500035.hkl |
| Formula | C17 H22 Cl2 Cu N4 O9 |
|---|---|
| Calculated formula | C17 H22 Cl2 Cu N4 O9 |
| Authors of publication | Juergen Lange |
| Journal of publication | Personal communication to COD |
| Year of publication | 2016 |
| a | 8.812 ± 0.003 Å |
| b | 11.308 ± 0.004 Å |
| c | 23.127 ± 0.007 Å |
| α | 90° |
| β | 95.91 ± 0.02° |
| γ | 90° |
| Cell volume | 2292.3 ± 1.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for all reflections | 0.1504 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Goodness-of-fit parameter for all reflections | 1.084 |
| Goodness-of-fit parameter for significantly intense reflections | 1.087 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183201 (current) | 2016-06-01 | cif/ hkl/ Adding structures of 3500035 via cif-deposit CGI script. |
3500035.cif 3500035.hkl |
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.