Information card for entry 1547719

Structure parameters

• Formula: C120 H125 N17 O31 Zn4
• Calculated formula: C120 H104 N17 O31 Zn4
• Title of publication: Modifying electron transfer between photoredox and organocatalytic units via framework interpenetration for beta-carbonyl functionalization
• Authors of publication: Zhengqiang Xia; Cheng He; Xiaoge Wang; Chunying Duan
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 361
• a: 25.0155 ± 0.0017 Å
• b: 9.6927 ± 0.0007 Å
• c: 27.3884 ± 0.0018 Å
• α: 90°
• β: 116.251 ± 0.0011°
• γ: 90°
• Cell volume: 5955.9 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No