Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4132235
Preview
| Coordinates | 4132235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H91 Cu3 K N6 O3.5 Se |
|---|---|
| Calculated formula | C59 H91 Cu3 K N6 O3.5 Se |
| Title of publication | Countercations and Solvent Influence CO<sub>2</sub> Reduction to Oxalate by Chalcogen-Bridged Tricopper Cyclophanates. |
| Authors of publication | Cook, Brian J.; Di Francesco, Gianna N.; Abboud, Khalil A.; Murray, Leslie J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 17 |
| Pages of publication | 5696 - 5700 |
| a | 23.631 ± 0.002 Å |
| b | 13.8788 ± 0.0013 Å |
| c | 18.5349 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6078.9 ± 1 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1421 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.1324 |
| Weighted residual factors for all reflections included in the refinement | 0.1652 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242236 (current) | 2019-11-26 | cif/ Adding structures of 4132235 via cif-deposit CGI script. |
4132235.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.