Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7124408
Preview
| Coordinates | 7124408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H42 Cl Cu N4 O6 |
|---|---|
| Calculated formula | C45 H42 Cl Cu N4 O6 |
| Title of publication | Chirality Transfer in a Cage Controls the Clockwise / Anticlockwise Propeller Arrangement of the tris(2-pyridylmethyl)amine Ligand |
| Authors of publication | Martinez, Alexandre; Qiu, Gege; Colomban, Cédric; Giorgi, Michel; Vanthuyne, Nicolas |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 11.7718 ± 0.0007 Å |
| b | 15.1157 ± 0.0008 Å |
| c | 21.9868 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3912.3 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1155 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220575 (current) | 2019-10-31 | cif/ Adding structures of 7124407, 7124408, 7124409 via cif-deposit CGI script. |
7124408.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.