Information card for entry 7246379

Structure parameters

• Formula: C64 H41 N5 O16 Zn3
• Calculated formula: C64 H41 N5 O16 Zn3
• Title of publication: Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms
• Authors of publication: Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 2085 - 2095
• a: 31.752 ± 0.002 Å
• b: 17.8208 ± 0.0005 Å
• c: 19.1271 ± 0.0008 Å
• α: 90°
• β: 105.392 ± 0.006°
• γ: 90°
• Cell volume: 10434.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2076
• Residual factor for significantly intense reflections: 0.1563
• Weighted residual factors for significantly intense reflections: 0.429
• Weighted residual factors for all reflections included in the refinement: 0.4615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.467
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No