Information card for entry 7043692

Structure parameters

• Formula: C15 H16 B N6 Re
• Calculated formula: C15 H16 B N6 Re
• SMILES: [BH]12n3[n](ccc3)[Re]34567([cH]8[cH]3[cH]4[cH]5[cH]7[cH]68)([n]3cccn13)[n]1cccn21
• 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: 8.2517 ± 0.0004 Å
• b: 10.2422 ± 0.0006 Å
• c: 8.9263 ± 0.0005 Å
• α: 90°
• β: 92.507 ± 0.005°
• γ: 90°
• Cell volume: 753.69 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No