Information card for entry 1553143

Structure parameters

• Formula: C70 H66 Cl34 N8 P2 Ru2
• Calculated formula: C70 H66 Cl34 N8 P2 Ru2
• Title of publication: Ruthenium complexes with an N-heterocyclic carbene NNC-pincer ligand: preparation and catalytic properties
• Authors of publication: Mejuto, Carmen; García-Eleno, Marco A.; Guisado-Barrios, Gregorio; Spasyuk, Denis; Gusev, Dmitri; Peris, Eduardo
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 936
• a: 13.25 ± 0.0002 Å
• b: 16.9695 ± 0.0003 Å
• c: 23.3436 ± 0.0004 Å
• α: 90°
• β: 103.948 ± 0.0018°
• γ: 90°
• Cell volume: 5093.95 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No