Information card for entry 7234246

Structure parameters

• Formula: C42 H54 Cu N2 O2 S2
• Calculated formula: C42 H54 Cu N2 O2 S2
• 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: 5.8774 ± 0.0003 Å
• b: 12.9817 ± 0.0011 Å
• c: 13.746 ± 0.0012 Å
• α: 106.244 ± 0.003°
• β: 97.87 ± 0.005°
• γ: 98.955 ± 0.005°
• Cell volume: 976.48 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2425
• Residual factor for significantly intense reflections: 0.1117
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No