Information card for entry 7716512

Structure parameters

• Formula: C49 H25 F12 Se4
• Calculated formula: C49 H25 F12 Se4
• Title of publication: Polydentate chalcogen bonding: anion trapping with a water-stable host compound carrying Se-CF₃ functions.
• Authors of publication: Beckmann, J. Louis; Tiessen, Natalia; Neumann, Beate; Stammler, Hans-Georg; Hoge, Berthold; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 29
• Pages of publication: 12234 - 12239
• a: 11.3597 ± 0.0003 Å
• b: 13.1741 ± 0.0003 Å
• c: 14.8239 ± 0.0004 Å
• α: 84.49 ± 0.002°
• β: 88.86 ± 0.002°
• γ: 79.798 ± 0.002°
• Cell volume: 2173.28 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0712
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No