Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7713366
Preview
| Coordinates | 7713366.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C343 H510.5 Cu16 N25.5 O68 |
|---|---|
| Calculated formula | C301 H404 Cu16 N11.5 O52 |
| Title of publication | A bis-calix[4]arene-supported [CuII16] cage. |
| Authors of publication | Wilson, Lucinda R. B.; Coletta, Marco; Singh, Mukesh K.; Teat, Simon J.; Brookfield, Adam; Shanmugam, Muralidharan; McInnes, Eric J. L.; Piligkos, Stergios; Dalgarno, Scott J.; Brechin, Euan K. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2023 |
| Journal volume | 52 |
| Journal issue | 26 |
| Pages of publication | 8956 - 8963 |
| a | 21.4369 ± 0.0009 Å |
| b | 21.9078 ± 0.0009 Å |
| c | 22.066 ± 0.0009 Å |
| α | 105.596 ± 0.003° |
| β | 111.468 ± 0.002° |
| γ | 95.527 ± 0.003° |
| Cell volume | 9067.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.1551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284788 (current) | 2023-07-05 | cif/ Adding structures of 7713366 via cif-deposit CGI script. |
7713366.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.