Information card for entry 7718381

Structure parameters

• Formula: C20 H26 Cl4 Cu2 N10 O8
• Calculated formula: C20 H26 Cl4 Cu2 N10 O8
• 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, Yan Yu Sarah; De Leener, Gaël; Schoenauen, Martin; Bottin, Maëlle; Robeyns, Koen; Luhmer, Michel; Robiette, Raphaël; Singleton, Michael L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 6174 - 6187
• a: 7.3349 ± 0.0009 Å
• b: 8.8634 ± 0.0012 Å
• c: 12.9399 ± 0.0012 Å
• α: 106.261 ± 0.01°
• β: 90.179 ± 0.008°
• γ: 109.045 ± 0.012°
• Cell volume: 759.24 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No