Information card for entry 7118816

Structure parameters

• Formula: C63 H53 Cl2 Cu4 N13 O33 W10
• Calculated formula: C63 H51 Cl2 Cu4 N13 O33 W10
• Title of publication: A photosensitizing decatungstate-based MOF as heterogeneous photocatalyst for the selective C-H alkylation of aliphatic nitriles.
• Authors of publication: Shi, Dongying; He, Cheng; Sun, Wenlong; Ming, Zheng; Meng, Changgong; Duan, Chunying
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 25
• Pages of publication: 4714 - 4717
• a: 20.0299 ± 0.0016 Å
• b: 17.2261 ± 0.0014 Å
• c: 15.8221 ± 0.0013 Å
• α: 90°
• β: 125.919 ± 0.001°
• γ: 90°
• Cell volume: 4421.1 ± 0.6 ų
• Cell temperature: 226 ± 2 K
• Ambient diffraction temperature: 226 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No