Information card for entry 7248749

Structure parameters

• Formula: C36 H12 Cu2 F20 O8
• Calculated formula: C36 H12 Cu2 F20 O8
• Title of publication: Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex
• Authors of publication: Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 3014 - 3020
• a: 5.0933 ± 0.0007 Å
• b: 13.6611 ± 0.0018 Å
• c: 13.976 ± 0.002 Å
• α: 98.835 ± 0.004°
• β: 99.813 ± 0.004°
• γ: 90.305 ± 0.004°
• Cell volume: 946.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0979
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No