Information card for entry 1556341

Structure parameters

• Formula: C30.5 H30 Cl2 F6 N6 O3 P2 Ru
• Calculated formula: C30.5 H30 Cl2 F6 N6 O3 P2 Ru
• SMILES: c1cccc2c3cc(cc4[n]3[Ru]3([n]12)([n]1c4cccc1)([n]1ccccc1N=[N]3c1ccccc1)Cl)P(=O)(OCC)OCC.[P](F)(F)(F)(F)(F)[F-].ClCCl
• Title of publication: Molecular ruthenium complexes anchored on magnetic nanoparticles that act as powerful and magnetically recyclable stereospecific epoxidation catalysts
• Authors of publication: Vaquer, Lydia; Riente, Paola; Sala, Xavier; Jansat, Susanna; Benet-Buchholz, Jordi; Llobet, Antoni; Pericàs, Miquel A.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 706
• a: 29.0844 ± 0.001 Å
• b: 15.042 ± 0.0005 Å
• c: 16.3344 ± 0.0006 Å
• α: 90°
• β: 108.315 ± 0.002°
• γ: 90°
• Cell volume: 6784.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No