Information card for entry 4003866

Structure parameters

• Common name: Hf-TCBPA-MOF
• Formula: C81 H56 Hf6 N2 O36
• Calculated formula: C81 H56 Hf6 N2 O36
• Title of publication: Metal‒Organic Layers with an Enhanced Two-Photon Absorption Cross-Section and Up-Converted Emission
• Authors of publication: Hu, Xuefu; Wang, Zhiye; Su, Yuming; Chen, Peican; Jiang, Yibin; Zhang, Cankun; Wang, Cheng
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 43.827 ± 0.0011 Å
• b: 21.4937 ± 0.0006 Å
• c: 24.7957 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23357.7 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 42
• Hermann-Mauguin space group symbol: F m m 2
• Hall space group symbol: F 2 -2
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No