Information card for entry 7703946

Structure parameters

• Formula: C28 H22.5 F6 N6 O0.25 P Re
• Calculated formula: C28 H22 F6 N6 O0.25 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: 9.12699 ± 0.00016 Å
• b: 11.2066 ± 0.0002 Å
• c: 13.6865 ± 0.0002 Å
• α: 88.3898 ± 0.0015°
• β: 71.1433 ± 0.0016°
• γ: 86.0932 ± 0.0015°
• Cell volume: 1321.65 ± 0.04 ų
• Cell temperature: 160 ± 0.1 K
• Ambient diffraction temperature: 160 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No