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Information card for entry 1550266
Preview
| Coordinates | 1550266.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H36 Cu1.5 N6 O26 Zr6 |
|---|---|
| Calculated formula | C72 H36 Cu1.5 N6 O26 Zr6 |
| Title of publication | A Concentrated Array of Copper Porphyrin Candidate Qubits |
| Authors of publication | Yu, Chung Jui; Krzyaniak, Matthew D.; Fataftah, Majed S.; Wasielewski, Michael R.; Freedman, Danna |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 38.452 ± 0.0007 Å |
| b | 38.452 ± 0.0007 Å |
| c | 38.452 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 56853.4 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 229 |
| Hermann-Mauguin space group symbol | I m -3 m |
| Hall space group symbol | -I 4 2 3 |
| Residual factor for all reflections | 0.122 |
| Residual factor for significantly intense reflections | 0.1075 |
| Weighted residual factors for significantly intense reflections | 0.3322 |
| Weighted residual factors for all reflections included in the refinement | 0.3549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.487 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212090 (current) | 2018-11-22 | cif/ Adding structures of 1550266 via cif-deposit CGI script. |
1550266.cif |
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