Information card for entry 1556342

Structure parameters

• Formula: C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru
• Calculated formula: C30.5 H30.5 Cl2 F6 N6 O3.25 P2 Ru
• SMILES: c1cccc2c3cc(cc4[n]3[Ru]3([n]12)([n]1c4cccc1)([N](=Nc1cccc[n]31)c1ccccc1)Cl)P(=O)(OCC)OCC.[P](F)(F)(F)(F)(F)[F-].ClCCl.O
• 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: 10.9643 ± 0.0007 Å
• b: 11.9921 ± 0.0008 Å
• c: 15.491 ± 0.0015 Å
• α: 110.491 ± 0.005°
• β: 99.026 ± 0.004°
• γ: 107.666 ± 0.003°
• Cell volume: 1737.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No