Information card for entry 1556333

Structure parameters

• Formula: C54 H84 B Cl2 F4 P6 Rh3
• Calculated formula: C54 H84 B Cl2 F4 P6 Rh3
• SMILES: [Rh]12([Cl]3[Rh]4([Cl]1[Rh]13[P]3(c5c([P]61[C@@H](CC[C@H]6C)C)cccc5)[C@@H](CC[C@H]3C)C)[P]1(c3c([P]54[C@@H](CC[C@H]5C)C)cccc3)[C@@H](CC[C@H]1C)C)[P]1(c3c([P]42[C@@H](CC[C@H]4C)C)cccc3)[C@@H](CC[C@H]1C)C.[B](F)(F)(F)[F-]
• Title of publication: Halide bridged trinuclear rhodium complexes and their inhibiting influence on catalysis
• Authors of publication: Preetz, Angelika; Kohrt, Christina; Meißner, Antje; Wei, Siping; Drexler, Hans-Joachim; Buschmann, Helmut; Heller, Detlef
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 2
• Pages of publication: 462
• a: 14.483 ± 0.002 Å
• b: 14.483 ± 0.002 Å
• c: 58.042 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12175 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No