Information card for entry 7131586

Structure parameters

• Formula: C20 H34 Cu2 N2 O10
• Calculated formula: C20 H34 Cu2 N2 O10
• Title of publication: Copper(II) defect-cubane water oxidation electrocatalysts: from molecular tetramers to oxidic nanostructures.
• Authors of publication: Adiyeri Saseendran, Devi Prasad; Fischer, Jörg W A; Müller, Lea; Abbott, Daniel F.; Mougel, Victor; Jeschke, Gunnar; Triana, Carlos A.; Patzke, Greta R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 39
• Pages of publication: 5866 - 5869
• a: 8.0233 ± 0.0001 Å
• b: 8.8028 ± 0.0002 Å
• c: 9.6509 ± 0.0001 Å
• α: 71.076 ± 0.001°
• β: 86.281 ± 0.001°
• γ: 77.279 ± 0.001°
• Cell volume: 628.935 ± 0.018 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No