Information card for entry 7709994

Structure parameters

• Formula: C178 H134 Cu3 F108 N28 O52 Y4
• Calculated formula: C178 H134 Cu3 F108 N28 O52 Y4
• Title of publication: Supramolecular heptanuclear Ln-Cu complexes involving nitronyl nitroxide biradicals: structure and magnetic behavior
• Authors of publication: Xi, Lu; Jin, Chaoyi; Song, Hong-Wei; Wang, Xiao-Tong; Li, Licun; Sutter, Jean-Pascal
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.695 ± 0.003 Å
• b: 21.213 ± 0.004 Å
• c: 21.502 ± 0.004 Å
• α: 85.16 ± 0.03°
• β: 71.34 ± 0.03°
• γ: 85.75 ± 0.03°
• Cell volume: 6320 ± 2 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2169
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.3026
• Weighted residual factors for all reflections included in the refinement: 0.3768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No