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Information card for entry 1572467
Preview
| Coordinates | 1572467.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H66 Cu2 F12 N4 O3 P6 |
|---|---|
| Calculated formula | C61 H66 Cu2 F12 N4 O3 P6 |
| Title of publication | Cu site differentiation in tetracopper(i) sulfide clusters enables biomimetic N<sub>2</sub>O reduction. |
| Authors of publication | Alayoglu, Pinar; Rathnayaka, Suresh C.; Chang, Tieyan; Wang, SuYin Grass; Chen, Yu-Sheng; Mankad, Neal P. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 34 |
| Pages of publication | 13668 - 13675 |
| a | 11.668 ± 0.004 Å |
| b | 47.89 ± 0.016 Å |
| c | 11.5 ± 0.005 Å |
| α | 90° |
| β | 95.148 ± 0.011° |
| γ | 90° |
| Cell volume | 6400 ± 4 Å3 |
| Cell temperature | 77.15 K |
| Ambient diffraction temperature | 77.15 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.41328 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 294364 (current) | 2024-09-04 | cif/ Adding structures of 1572466, 1572467, 1572468 via cif-deposit CGI script. |
1572467.cif |
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