Information card for entry 1574729

Structure parameters

• Formula: C45 H36 Cl4 F15 Fe N P2
• Calculated formula: C45 H36 Cl4 F15 Fe N P2
• 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: 15.931 ± 0.0009 Å
• b: 15.9306 ± 0.0011 Å
• c: 18.5289 ± 0.0013 Å
• α: 90°
• β: 89.979 ± 0.003°
• γ: 90°
• Cell volume: 4702.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No