Information card for entry 4305379

Structure parameters

• Formula: C34 H38 F12 N6 P2 Pd
• Calculated formula: C34 H38 F12 N6 P2 Pd
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Pd]12(=C3N(Cc4cccc5ccc[n]2c45)C=CN3CCCC)=C2N(Cc3cccc4ccc[n]1c34)C=CN2CCCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Structures, and Solution Dynamics of Palladium Complexes of Quinoline-Functionalized N-Heterocyclic Carbenes
• Authors of publication: Hong Mei Peng; Guoyong Song; Yongxin Li; Xingwei Li
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8031 - 8043
• a: 10.0533 ± 0.0004 Å
• b: 10.6877 ± 0.0008 Å
• c: 10.729 ± 0.0005 Å
• α: 108.459 ± 0.003°
• β: 108.014 ± 0.002°
• γ: 107.082 ± 0.002°
• Cell volume: 936.75 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No