Information card for entry 4305375

Structure parameters

• Formula: C34 H38 Cl2 N6 Pd
• Calculated formula: C34 H38 Cl2 N6 Pd
• SMILES: c1ccc2cccc(c2n1)CN1C=CN(C1=[Pd](Cl)(=C1N(C=CN1Cc1cccc2cccnc12)CCCC)Cl)CCCC
• 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: 12.1693 ± 0.0005 Å
• b: 8.4018 ± 0.0004 Å
• c: 16.805 ± 0.0007 Å
• α: 90°
• β: 106.463 ± 0.003°
• γ: 90°
• Cell volume: 1647.77 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No