Information card for entry 7716504

Structure parameters

• Formula: C28 H24 F6 O2 Se2
• Calculated formula: C28 H24 F6 O2 Se2
• 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: 10.9375 ± 0.0006 Å
• b: 11.1688 ± 0.0006 Å
• c: 11.4551 ± 0.0007 Å
• α: 96.766 ± 0.005°
• β: 98.009 ± 0.005°
• γ: 103.066 ± 0.005°
• Cell volume: 1333.55 ± 0.14 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 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: 0.0685
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No