Information card for entry 7234248

Structure parameters

• Formula: C42 H54 Cu N2 O4
• Calculated formula: C42 H54 Cu N2 O4
• Title of publication: Electronic, charge and magnetic interactions in three-centre systems
• Authors of publication: Alexa Paretzki; Ralph Hubner; Shengfa Ye; Martina Bubrin; Sara Kamper; Wolfgang Kaim
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4801 - 4809
• a: 23.912 ± 0.006 Å
• b: 13.712 ± 0.002 Å
• c: 12.129 ± 0.003 Å
• α: 90°
• β: 96.501 ± 0.017°
• γ: 90°
• Cell volume: 3951.3 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No