Information card for entry 7043689

Structure parameters

• Formula: C29 H53 F3 O12 P3 Re S
• Calculated formula: C29 H53 F3 O12 P3 Re S
• SMILES: [Re]12345([cH]6[cH]1[cH]2[c]13[c]4(cccc1)[cH]56)([P](OCC)(OCC)OCC)([P](OCC)(OCC)OCC)[P](OCC)(OCC)OCC.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 10.4629 ± 0.0003 Å
• b: 12.2103 ± 0.0003 Å
• c: 15.7908 ± 0.0004 Å
• α: 97.165 ± 0.002°
• β: 102.359 ± 0.002°
• γ: 94.246 ± 0.002°
• Cell volume: 1944.63 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0401
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No