Information card for entry 7010689

Structure parameters

• Formula: C44 H60 Cl6 Cu4 N10 O16
• Calculated formula: C44 H60 Cl6 Cu4 N10 O16
• Title of publication: Synthesis, molecular structure and magnetic properties of tetranuclear copper(ii) complexes with pendant-arm macrocyclic ligands
• Authors of publication: Gou, Shaohua; Qian, Ming; Yu, Zhi; Duan, Chunying; Sun, Xuefeng; Huang, Wei
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 21
• Pages of publication: 3232
• a: 10.275 ± 0.003 Å
• b: 23.194 ± 0.003 Å
• c: 13.061 ± 0.002 Å
• α: 90°
• β: 108.11 ± 0.02°
• γ: 90°
• Cell volume: 2958.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections: 0.1747
• Weighted residual factors for significantly intense reflections: 0.1189
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No