Information card for entry 4341154

Structure parameters

• Formula: C54 H54 Cl2 F12 N10 O4.5 P2 Ru2
• Calculated formula: C54 H54 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: 12.5295 ± 0.0006 Å
• b: 14.6459 ± 0.0007 Å
• c: 18.2104 ± 0.0009 Å
• α: 107.284 ± 0.002°
• β: 109.045 ± 0.002°
• γ: 96.36 ± 0.002°
• Cell volume: 2935.2 ± 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: 0.0758
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No