Information card for entry 7111517

Structure parameters

• Formula: C104.5 H135 Cu8 N12 O5.625
• Calculated formula: C104.5 H135 Cu8 N12 O5.625
• Title of publication: An unusually stable octanuclear σ-mesityl-bridged µ4-oxo-copper(i) complex encapsulated by a pyrazolate-based compartmental ligand scaffold
• Authors of publication: Stollenz, Michael; Große, Christian; Meyer, Franc
• Journal of publication: Chemical Communications
• Year of publication: 2008
• Journal issue: 15
• Pages of publication: 1744 - 1746
• a: 23.249 ± 0.005 Å
• b: 32.447 ± 0.007 Å
• c: 26.971 ± 0.005 Å
• α: 90°
• β: 92.42 ± 0.03°
• γ: 90°
• Cell volume: 20328 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1118
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.377
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No