Information card for entry 4517551

Structure parameters

• Formula: C280 H198 N2 O56 Zr6
• Calculated formula: C280 H198 N2 O54 Zr4
• Title of publication: Building Conjugated Donor-Acceptor Cross-Links into Metal-Organic Frameworks for Photo- and Electroactivity.
• Authors of publication: Cheng, Shengxian; Li, Kedi; Hu, Jieying; He, Jun; Zeller, Matthias; Xu, Zhengtao
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 24.7582 ± 0.0014 Å
• b: 24.7582 ± 0.0014 Å
• c: 31.9322 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19573 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.2745
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No