Information card for entry 1556334

Structure parameters

• Formula: C85 H86 B Cl4 F4 O6 P6 Rh3
• Calculated formula: C85 H86 B Cl4 F4 O6 P6 Rh3
• SMILES: [B](F)(F)(F)[F].C1C[P@@]([Rh]2([Cl]3[Rh]4([P@@](c5ccccc5)(c5ccccc5OC)CC[P@]4(c4ccccc4)c4ccccc4OC)[Cl]2[Rh]23[P@](CC[P@]2(c2ccccc2)c2c(OC)cccc2)(c2c(OC)cccc2)c2ccccc2)[P@]1(c1c(cccc1)OC)c1ccccc1)(c1c(OC)cccc1)c1ccccc1.C(Cl)Cl
• 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: 13.136 ± 0.003 Å
• b: 13.405 ± 0.003 Å
• c: 14.779 ± 0.003 Å
• α: 85.58 ± 0.03°
• β: 68.44 ± 0.03°
• γ: 68.06 ± 0.03°
• Cell volume: 2239.6 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No