Information card for entry 4318180

Structure parameters

• Formula: C25 H15 Br2 F15 N4 Re
• Calculated formula: C25 H15 Br2 F15 N4 Re
• SMILES: [Re]12(Br)(Br)[N](CCN1c1c(c(c(c(c1F)F)F)F)F)(CCN2c1c(c(c(c(c1F)F)F)F)F)CCCNc1c(c(c(c(c1F)F)F)F)F
• Title of publication: Unsymmetrical Tren-Based Ligands: Synthesis and Reactivity of Rhenium Complexes
• Authors of publication: Nadia C. Mösch-Zanetti; Sinje Köpke; Regine Herbst-Irmer; Manuel Hewitt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3513 - 3520
• a: 13.797 ± 0.002 Å
• b: 13.959 ± 0.002 Å
• c: 15.722 ± 0.002 Å
• α: 80.86 ± 0.02°
• β: 86.87 ± 0.02°
• γ: 77.18 ± 0.02°
• Cell volume: 2914.4 ± 0.8 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No