Information card for entry 7012782

Structure parameters

• Common name: ((Mes2ArCO2)2Cu2(THF)3)ClO4
• Chemical name: [(Mes2ArCO2)2Cu2(THF)3]ClO4
• Formula: C62 H74 Cl Cu2 O11
• Calculated formula: C61.994 H74 Cl Cu2 O10.997
• Title of publication: Dicopper(i,i) and delocalized mixed-valent dicopper(i,ii) complexes of a sterically hindered carboxylate ligand
• Authors of publication: Hagadorn, John R.; Zahn, Theresa I.; Que, Jr., Lawrence; Tolman, William B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1790
• a: 19.007 ± 0.0011 Å
• b: 24.1849 ± 0.0014 Å
• c: 25.3555 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11655.5 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No