Information card for entry 1574730

Structure parameters

• Formula: C15 H5 F15 Ru
• Calculated formula: C15 H5 F15 Ru
• Title of publication: Stimulus-responsive metallocenes: a photo/thermal switch enabled by the perfluorinated Cp* ligand
• Authors of publication: Sievers, Robin; Hartmann, Nick; Riemann, Paulin S.; Streit, Tim-Niclas; Malischewski, Moritz
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 11949 - 11953
• a: 7.3204 ± 0.0003 Å
• b: 15.6095 ± 0.0007 Å
• c: 14.6724 ± 0.0007 Å
• α: 90°
• β: 90.01 ± 0.02°
• γ: 90°
• Cell volume: 1676.58 ± 0.13 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No