Information card for entry 7712783

Structure parameters

• Common name: UoC-9(Ca), LT
• Formula: C122 H130 Ca5 F9 N13 O33
• Calculated formula: C122 H130 Ca5 F9 N13 O33
• Title of publication: Fluorinated Linkers Enable the Synthesis of Flexible MOFs with 1D Alkaline Earth SBUs and a Temperature-Induced Phase Transition
• Authors of publication: Ruschewitz, Uwe; Sebastian, Sean; Dicke, Finn P.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 31.6172 ± 0.0008 Å
• b: 16.5669 ± 0.0004 Å
• c: 28.5512 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14955.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No