Information card for entry 1556336

Structure parameters

• Formula: C135 H100 Cl6 F3 O3 P6 Rh3 S
• Calculated formula: C135 H100 Cl6 F3 O3 P6 Rh3 S
• SMILES: C(F)(F)(S(=O)(=O)[O-])F.c12c3ccccc3ccc1[P](c1ccccc1)([Rh]1([Cl]3[Rh]4([Cl]1[Rh]13[P](c3ccccc3)(c3ccccc3)c3ccc5ccccc5c3c3c5ccccc5ccc3[P]1(c1ccccc1)c1ccccc1)[P](c1ccc3ccccc3c1c1c([P]4(c3ccccc3)c3ccccc3)ccc3c1cccc3)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccc3ccccc3c21)c1ccccc1.C(Cl)Cl.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: 16.493 ± 0.003 Å
• b: 23.276 ± 0.005 Å
• c: 16.775 ± 0.003 Å
• α: 90°
• β: 118.1 ± 0.03°
• γ: 90°
• Cell volume: 5681 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.554
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No