Information card for entry 7703939

Structure parameters

• Formula: C12 H11 Cl F6 P Re
• Calculated formula: C12 H11 Cl F6 P Re
• SMILES: [Re]123456789%10([c]%11([cH]1[cH]2[cH]3[cH]4[cH]5%11)Cl)[cH]1[cH]%10[cH]9[cH]8[cH]7[cH]61.[P](F)(F)(F)(F)(F)[F-]
• 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: 6.9333 ± 0.00015 Å
• b: 9.2527 ± 0.0002 Å
• c: 10.8291 ± 0.0002 Å
• α: 93.0017 ± 0.0018°
• β: 96.8379 ± 0.0018°
• γ: 96.4142 ± 0.0018°
• Cell volume: 683.93 ± 0.02 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.0478
• 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