Information card for entry 7249335

Structure parameters

• Formula: C96 H36 F12.98 Ho12 N12 O51.02
• Calculated formula: C96 H36 F13 Ho12 N12 O51
• Title of publication: Synthesis and Characterization of Holmium Based Metal-Organic Frameworks
• Authors of publication: Degani, Murtaza; Balkus, Kenneth J.; Abbas, Muhammad; Joy, Monu; Sheybani, Simin; Shah, Tejas
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 18.0917 ± 0.0005 Å
• b: 18.0917 ± 0.0005 Å
• c: 45.523 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12903.9 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No