Information card for entry 1547722

Structure parameters

• Formula: C128 H140 N16 O32 Zn4
• Calculated formula: C128 H104 N16 O32 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: 24.9012 ± 0.0017 Å
• b: 9.6416 ± 0.0006 Å
• c: 27.3223 ± 0.0018 Å
• α: 90°
• β: 116.379 ± 0.001°
• γ: 90°
• Cell volume: 5876.7 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No