Information card for entry 4079278

Structure parameters

• Formula: C28 H28 F12 N8 P2 Pd2
• Calculated formula: C28 H28 F12 N8 P2 Pd2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[CH2]1=[CH]2C[Pd]312=C1N(c2ccc(N4C5N(C=C4)Cc4cccc[n]4[Pd]46=5C[CH]4=[CH2]6)nn2)C=CN1Cc1cccc[n]31.[P](F)(F)(F)(F)(F)[F-]
• 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: 14.4781 ± 0.0008 Å
• b: 15.6757 ± 0.0008 Å
• c: 15.4845 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3514.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No