Information card for entry 7712650

Structure parameters

• Formula: C64 H48 N6 O13 Zn3
• Calculated formula: C64 H48 N6 O13 Zn3
• Title of publication: Porphyrin Metal-Organic Frameworks with Bilayer and Pillar-layered Frameworks for Third-order Nonlinear Optical Properties
• Authors of publication: Zhu, Zi-Yi; Wang, Zirui; Li, Qiao-Hong; Ma, Zhi-Zhou; Wang, Fei; Zhang, Jian
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 16.6123 ± 0.0005 Å
• b: 16.6936 ± 0.0006 Å
• c: 16.7212 ± 0.0006 Å
• α: 118.127 ± 0.004°
• β: 90.188 ± 0.003°
• γ: 108.145 ± 0.003°
• Cell volume: 3823.3 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 0.799
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No