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Information card for entry 7718383
Preview
| Coordinates | 7718383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H20 Cl2 Cu N4 O9 |
|---|---|
| Calculated formula | C13 H20 Cl2 Cu N4 O9 |
| Title of publication | Influence of imidazole functionalization on the properties of small molecule models of the LPMO active site |
| Authors of publication | Gilbert, Ugo; Mu, Xiao; Lam, Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 29.258 ± 0.002 Å |
| b | 7.1874 ± 0.0003 Å |
| c | 19.1948 ± 0.0019 Å |
| α | 90° |
| β | 99.36 ± 0.01° |
| γ | 90° |
| Cell volume | 3982.7 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.079 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298547 (current) | 2025-03-21 | cif/ Adding structures of 7718380, 7718381, 7718382, 7718383, 7718384, 7718385, 7718386, 7718387 via cif-deposit CGI script. |
7718383.cif |
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Users of the data should acknowledge the original authors of the
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