Information card for entry 1577306

Structure parameters

• Formula: C60 H102 F9 N9 O9 P4 S3
• Calculated formula: C59.998 H102 F8.994 N9 O8.994 P4 S2.998
• Title of publication: Imidazoliumyl-Substituted Di-and Iso-Tetraphosphanes and Their Metal-Mediated Fragmentation Reactions
• Authors of publication: Fidelius, Jannis; Taube, Clemens; Schwedtmann, Kai; Hennersdorf, Felix; Gomila, Rosa Maria; Frontera, Antonio; Wolf, Robert; Weigand, Jan J.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.02799 ± 0.00008 Å
• b: 14.02799 ± 0.00008 Å
• c: 68.3806 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11653.5 ± 0.13 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1896
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No