Information card for entry 7703945

Structure parameters

• Formula: C22 H19 F6 N3 P Re
• Calculated formula: C22 H19 F6 N3 P Re
• Title of publication: [Re(η⁶-arene)₂]⁺ as a highly stable ferrocene-like scaffold for ligands and complexes.
• Authors of publication: Hernández-Valdés, Daniel; Avignon, Frédéric; Müller, Peter; Meola, Giuseppe; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Alberto, Roger
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5250 - 5256
• a: 10.70728 ± 0.00014 Å
• b: 16.7513 ± 0.0002 Å
• c: 12.06921 ± 0.00017 Å
• α: 90°
• β: 103.977 ± 0.0014°
• γ: 90°
• Cell volume: 2100.65 ± 0.05 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No