Information card for entry 7043694

Structure parameters

• Chemical name: to be completed
• Formula: C18 H25 F6 N P Tc
• Calculated formula: C18 H25 F6 N P Tc
• SMILES: [P](F)(F)(F)(F)(F)[F-].[c]12([c]3([c]4([c]5([c]6([c]1(C)[Tc]1789%1023456[c]2([cH]%10[cH]9[cH]8[cH]7[cH]12)N)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: 8.1171 ± 0.0004 Å
• b: 15.7539 ± 0.0007 Å
• c: 15.0788 ± 0.0007 Å
• α: 90°
• β: 91.37 ± 0.004°
• γ: 90°
• Cell volume: 1927.67 ± 0.16 ų
• Cell temperature: 183 ± 1 K
• Ambient diffraction temperature: 183 ± 1 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No