Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566989
Preview
| Coordinates | 1566989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15.23 H28.13 Cu1.07 N4.3 |
|---|---|
| Calculated formula | C15.228 H28.128 Cu1.0715 N4.302 |
| Title of publication | Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit |
| Authors of publication | Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 11.819 ± 0.002 Å |
| b | 12.632 ± 0.002 Å |
| c | 10.1183 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1510.6 ± 0.4 Å3 |
| Cell temperature | 99.93 K |
| Ambient diffraction temperature | 99.93 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275491 (current) | 2022-05-18 | cif/ Adding structures of 1566989, 1566990, 1566991, 1566992 via cif-deposit CGI script. |
1566989.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.