Information card for entry 4079276

Structure parameters

• Formula: C32 H33 Cl F18 N13 P3 Ru2
• Calculated formula: C32 H33 Cl F18 N13 P3 Ru2
• Title of publication: Pyridazine-Based N-Heterocyclic Carbene Complexes and Ruthenium-Catalyzed Oxidation Reaction of Alkenes
• Authors of publication: Liu, Xiaolong; Chen, Wanzhi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6614
• a: 10.861 ± 0.0015 Å
• b: 12.0263 ± 0.0019 Å
• c: 36.135 ± 0.003 Å
• α: 90°
• β: 92.301 ± 0.001°
• γ: 90°
• Cell volume: 4716.1 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1047
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No