Information card for entry 7708443

Structure parameters

• Formula: C25.64 H55.28 Cl4 Cu2 N6 O20
• Calculated formula: C25.637 H51.274 Cl4 Cu2 N6 O19
• Title of publication: Proton controlled synthesis of two dicopper(II) complexes and their magnetic and biomimetic catalytic studies along with probing the binding mode of the substrate to the metal centre
• Authors of publication: Jana, Narayan Ch.; Ghorai, Pravat; Brandão, Paula; Jaglicic, Zvonko; Panja, Anangamohan
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 7.3209 ± 0.0005 Å
• b: 13.3592 ± 0.0009 Å
• c: 21.4725 ± 0.0015 Å
• α: 93.655 ± 0.002°
• β: 97.899 ± 0.002°
• γ: 95.664 ± 0.002°
• Cell volume: 2063.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No