Information card for entry 7131141

Structure parameters

• Formula: C38 H36 Cl4 Cu2 N8
• Calculated formula: C38 H36 Cl4 Cu2 N8
• Title of publication: A dinuclear copper(II) complex with photoswitchable catechol oxidation activity.
• Authors of publication: Marcon, Michela; Crespi, Stefano; Pielmeier, Andreas; König, Burkhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 7
• Pages of publication: 948 - 951
• a: 9.44092 ± 0.00004 Å
• b: 11.74337 ± 0.00005 Å
• c: 22.12241 ± 0.0001 Å
• α: 90°
• β: 100.122 ± 0.0004°
• γ: 90°
• Cell volume: 2414.5 ± 0.018 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No