Information card for entry 7127067

Structure parameters

• Formula: C42 H34 F12 N2 O6 P2 Re2 Ru2
• Calculated formula: C42 H34 F12 N2 O6 P2 Re2 Ru2
• Title of publication: Dynamic dimer-monomer equilibrium in a cycloruthenated complex of [Re(η⁶-C₆H₆)₂]<sup/>.
• Authors of publication: Hernández-Valdés, Daniel; Wettstein, Lionel; Fernández-Terán, Ricardo; Probst, Benjamin; Fox, Thomas; Spingler, Bernhard; Nadeem, Qaisar; Alberto, Roger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 73
• Pages of publication: 10658 - 10661
• a: 9.5337 ± 0.0001 Å
• b: 10.9943 ± 0.0001 Å
• c: 11.1572 ± 0.0001 Å
• α: 99.017 ± 0.001°
• β: 103.077 ± 0.001°
• γ: 102.808 ± 0.001°
• Cell volume: 1084.12 ± 0.02 ų
• Cell temperature: 160.03 ± 0.18 K
• Ambient diffraction temperature: 160.03 ± 0.18 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No