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Information card for entry 7718382
Preview
| Coordinates | 7718382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H21 Cl2 Cu N5 O10 |
|---|---|
| Calculated formula | C11 H21 Cl2 Cu N5 O10 |
| 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 | 7.2615 ± 0.0009 Å |
| b | 16.4041 ± 0.0017 Å |
| c | 16.7373 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1993.7 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1136 |
| Residual factor for significantly intense reflections | 0.0802 |
| Weighted residual factors for significantly intense reflections | 0.1801 |
| Weighted residual factors for all reflections included in the refinement | 0.1975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| 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. |
7718382.cif |
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