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Information card for entry 1566991
Preview
| Coordinates | 1566991.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ni(acacen) |
|---|---|
| Formula | C12 H19 N2 Ni O2.5 |
| Calculated formula | C12 H19 N2 Ni O2.5 |
| 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 | 22.1206 ± 0.0017 Å |
| b | 8.3405 ± 0.0005 Å |
| c | 17.7408 ± 0.0014 Å |
| α | 90° |
| β | 128.032 ± 0.009° |
| γ | 90° |
| Cell volume | 2578.1 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1112 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.124 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| 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. |
1566991.cif |
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Users of the data should acknowledge the original authors of the
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