Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4516537
Preview
| Coordinates | 4516537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H76.5 Cu2 N6 O29.25 P8 |
|---|---|
| Calculated formula | C80 H76.5 Cu2 N6 O29.25 P8 |
| Title of publication | Synthesis of Cu(II)-Organophosphonate Framework with Predefined Void Spaces |
| Authors of publication | Bulut, Aysun; Zorlu, Yunus; Kirpi, Erdoğan; Çetinkaya, Ahmet; Wörle, Michael; Beckmann, Jens; Yücesan, Gündoğ |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 12 |
| Pages of publication | 5665 |
| a | 14.1943 ± 0.0009 Å |
| b | 23.6474 ± 0.0014 Å |
| c | 25.3309 ± 0.0015 Å |
| α | 90° |
| β | 105.595 ± 0.001° |
| γ | 90° |
| Cell volume | 8189.5 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.0518 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1072 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231370 (current) | 2019-11-22 | cif/ Adding structures of 4516537 via cif-deposit CGI script. |
4516537.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.