Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7123866
Preview
| Coordinates | 7123866.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Cu12(btc)4(OMe-bipy)12][ClO4]12 |
|---|---|
| Formula | C180 H156 Cl3 Cu12 N24 O71 |
| Calculated formula | C180 H156 Cl3 Cu12 N24 O71 |
| Title of publication | Design and Synthesis of Capped-Paddlewheel-Based Porous Coordination Cages |
| Authors of publication | Lorzing, Gregory; Gosselin, Eric; Lindner, Brian S.; Bhattacharjee, Rameswar; Yap, Glenn; Caratzoulas, Stavros; Bloch, Eric D. |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 22.8717 ± 0.0006 Å |
| b | 34.9204 ± 0.0009 Å |
| c | 36.9964 ± 0.0009 Å |
| α | 105.095 ± 0.0011° |
| β | 92.9723 ± 0.0011° |
| γ | 102.321 ± 0.0014° |
| Cell volume | 27690.6 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2514 |
| Residual factor for significantly intense reflections | 0.2025 |
| Weighted residual factors for significantly intense reflections | 0.5258 |
| Weighted residual factors for all reflections included in the refinement | 0.5821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.42 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217085 (current) | 2019-07-17 | cif/ Adding structures of 7123863, 7123864, 7123865, 7123866 via cif-deposit CGI script. |
7123866.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.