Information card for entry 4103024

Structure parameters

• Formula: C139.2 H252.8 Cu24 N8 O24 Si16
• Calculated formula: C139.2 H252.8 Cu24 N8 O24 Si16
• Title of publication: Cu24O24Si8R8: Organic Soluble 56-Membered Copper(I) Siloxane Cage and Its Use in Homogeneous Catalysis
• Authors of publication: Gengwen Tan; Ying Yang; Chenhui Chu; Hongping Zhu; Herbert W. Roesky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12231 - 12233
• a: 15.8965 ± 0.0005 Å
• b: 18.4656 ± 0.0007 Å
• c: 19.6998 ± 0.0007 Å
• α: 103.979 ± 0.003°
• β: 104.433 ± 0.003°
• γ: 111.394 ± 0.003°
• Cell volume: 4846.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0929
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.727
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No