Information card for entry 4305377

Structure parameters

• Formula: C25 H26 Cl N3 Pd
• Calculated formula: C25 H26 Cl N3 Pd
• SMILES: [Pd]12(C[CH]1=[CH2]2)(c1n(c2c(C)cc(C)cc2C)cc[n]1Cc1cccc2c1nccc2)Cl
• 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: 7.9796 ± 0.0002 Å
• b: 12.7023 ± 0.0004 Å
• c: 11.7635 ± 0.0004 Å
• α: 90°
• β: 106.58 ± 0.001°
• γ: 90°
• Cell volume: 1142.76 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No