Information card for entry 4079279

Structure parameters

• Formula: C28 H34 F12 N8 P2 Pd2
• Calculated formula: C28 H34 F12 N8 P2 Pd2
• SMILES: c1cccc2Cn3cc[n](c3)[Pd]34([n]5ccccc5Cn5c[n]([Pd]67([n]12)C[CH]6=[CH2]7)cc5)C[CH]3=[CH2]4.[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 8.9307 ± 0.0002 Å
• b: 14.168 ± 0.0003 Å
• c: 14.3697 ± 0.0003 Å
• α: 90°
• β: 100.477 ± 0.002°
• γ: 90°
• Cell volume: 1787.89 ± 0.07 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No