Information card for entry 7043696

Structure parameters

• Formula: C52 H49 Cl2 F6 P4 Re
• Calculated formula: C52 H49 Cl2 F6 P4 Re
• SMILES: [Re]1234567([cH]8[cH]1[c]12cccc[c]31[cH]4[cH]58)[P](c1ccccc1)(c1ccccc1)CC(C[P]6(c1ccccc1)c1ccccc1)(C[P]7(c1ccccc1)c1ccccc1)C.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structure and Reactivities of Rhenium and Technetium bis-Arene Sandwich Complexes [M(η6-arene)2]+
• Authors of publication: Alberto, Roger; Meola, Giuseppe; Braband, Henrik; Jordi, Sara; Fox, Thomas; Blacque, Oliver; Spingler, Bernhard
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.0055 ± 0.00004 Å
• b: 18.5673 ± 0.00007 Å
• c: 24.4564 ± 0.00009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4997.48 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No