Information card for entry 7718385

Structure parameters

• Formula: C20 H30 Cl4 Cu2 N10 O8
• Calculated formula: C20 H30 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: 7.5005 ± 0.0015 Å
• b: 8.931 ± 0.002 Å
• c: 12.916 ± 0.002 Å
• α: 80.624 ± 0.017°
• β: 73.129 ± 0.016°
• γ: 69.64 ± 0.02°
• Cell volume: 774.4 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No