Information card for entry 4305376

Structure parameters

• Formula: C20 H24 Cl N3 Pd
• Calculated formula: C20 H24 Cl N3 Pd
• SMILES: [Pd]12(C[CH]1=[CH2]2)(=C1N(C(C)(C)C)C=CN1Cc1cccc2cccnc12)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: 11.3527 ± 0.0005 Å
• b: 11.5964 ± 0.0005 Å
• c: 17.1348 ± 0.0007 Å
• α: 85.099 ± 0.002°
• β: 77.932 ± 0.002°
• γ: 63.716 ± 0.002°
• Cell volume: 1977.81 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No