Information card for entry 7060129

Structure parameters

• Formula: C83 H107 Cu4 N17 O38 Y2
• Calculated formula: C83 H107 Cu4 N17 O38 Y2
• Title of publication: An insight into the molecular structures, theoretical calculation and catalytic activities of novel heterotrinuclear [CuII2CeIII] and heterohexanuclear [CuII4YIII2] bis(salamo)-based complexes
• Authors of publication: Chen, Zhuang-Zhuang; Zhang, Wen-Ze; Zhang, Ting; Zhang, Yang; Dong, Wen-Kui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19836 - 19849
• a: 12.8639 ± 0.0007 Å
• b: 17.7598 ± 0.0009 Å
• c: 23.1688 ± 0.0013 Å
• α: 106.755 ± 0.002°
• β: 101.128 ± 0.002°
• γ: 93.311 ± 0.002°
• Cell volume: 4936.8 ± 0.5 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.0784
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No