Information card for entry 7043687

Structure parameters

• Common name: [Tc(Me6Ph)2](PF6)
• Formula: C24 H36 F6 P Tc
• Calculated formula: C24 H36 F6 P Tc
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Tc]123456789%10([c]%11([c]2([c]6([c]%10([c]7([c]3%11C)C)C)C)C)C)[c]2([c]1([c]5([c]9([c]8([c]42C)C)C)C)C)C
• 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: 8.1154 ± 0.0006 Å
• b: 10.4942 ± 0.0006 Å
• c: 13.688 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1165.73 ± 0.13 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No