Information card for entry 7043135

Structure parameters

• Formula: C68 H52 Cl2 F34 N8 Ni O5 S2
• Calculated formula: C68 H52 Cl2 F34 N8 Ni O5 S2
• Title of publication: Rapid self-healing and anion selectivity in metallosupramolecular gels assisted by fluorine‒fluorine interactions
• Authors of publication: Arnedo-Sánchez, Leticia; Nonappa, Nonappa; Bhowmik, Sandip; Hietala, Sami; Puttreddy, Rakesh; Lahtinen, Manu; De Cola, Luisa; Rissanen, Kari
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.4507 ± 0.0007 Å
• b: 13.2384 ± 0.0008 Å
• c: 26.961 ± 0.002 Å
• α: 95.396 ± 0.006°
• β: 91.534 ± 0.006°
• γ: 90.814 ± 0.005°
• Cell volume: 3711.7 ± 0.4 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No