Information card for entry 7118815

Structure parameters

• Formula: C60 H54 Cl2 Cu4 N12 O35 W10
• Calculated formula: C60 H48 Cl2 Cu4 N12 O35 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: 20.0634 ± 0.0015 Å
• b: 17.3159 ± 0.0012 Å
• c: 15.642 ± 0.002 Å
• α: 90°
• β: 124.211 ± 0.001°
• γ: 90°
• Cell volume: 4494 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0683
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No