Information card for entry 1518139

Structure parameters

• Formula: C40 H60 Cu3 K N8 O54 Ru Si W11
• Calculated formula: C40 H32 Cu3 K N8 O53.99 Ru0.96 Si W11.04
• Title of publication: Merging of the photocatalysis and copper catalysis in metal‒organic frameworks for oxidative C‒C bond formation
• Authors of publication: Shi, Dongying; He, Cheng; Qi, Bo; Chen, Cong; Niu, Jingyang; Duan, Chunying
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1035
• a: 24.415 ± 0.003 Å
• b: 24.415 ± 0.003 Å
• c: 15.337 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9142 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 9
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No