Information card for entry 1556337

Structure parameters

• Formula: C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3
• Calculated formula: C54 H84 B Br0.8 Cl1.2 F4 P6 Rh3
• SMILES: [B](F)(F)(F)[F-].[C@@H]1(CC[C@@H]([P]21[Rh]1([Cl]([Rh]3([Br]14)[P]1(c5c(cccc5)[P]53[C@H](CC[C@@H]5C)C)[C@@H](C)CC[C@@H]1C)[Rh]14[P]3(c4ccccc4[P]41[C@@H](C)CC[C@@H]4C)[C@@H](C)CC[C@@H]3C)[P]1(c3ccccc23)[C@H](CC[C@@H]1C)C)C)C
• 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: 16.431 ± 0.003 Å
• b: 20.348 ± 0.004 Å
• c: 21.116 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7060 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No