Information card for entry 4341153

Structure parameters

• Formula: C48 H44 Cl2 F12 N10 O4.5 P2 Ru2
• Calculated formula: C48 H44 Cl2 F12 N10 O4.5 P2 Ru2
• Title of publication: Dinuclear ruthenium complexes containing the hpbl ligand: synthesis, characterization, linkage isomerism, and epoxidation catalysis.
• Authors of publication: Francàs, Laia; González-Gil, Rosa María; Moyano, Daniel; Benet-Buchholz, Jordi; García-Antón, Jordi; Escriche, Lluís; Llobet, Antoni; Sala, Xavier
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10394 - 10402
• a: 13.2322 ± 0.0009 Å
• b: 15.2695 ± 0.001 Å
• c: 15.875 ± 0.001 Å
• α: 70.027 ± 0.002°
• β: 68.822 ± 0.002°
• γ: 89.43 ± 0.002°
• Cell volume: 2787.4 ± 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: 0.0873
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No