Information card for entry 7019502

Structure parameters

• Formula: C24 H30 Cl2 N6 Pd
• Calculated formula: C24 H30 Cl2 N6 Pd
• SMILES: C(C)(C)N1C(N(Cc2ccncc2)C=C1)=[Pd](Cl)(=C1N(C(C)C)C=CN1Cc1ccncc1)Cl
• Title of publication: Synthesis and characterization of para-pyridine linked NHC palladium complexes and their studies for the Heck-Mizoroki coupling reaction.
• Authors of publication: Liu, Ya-Ming; Lin, Yi-Chun; Chen, Wen-Ching; Cheng, Jen-Hao; Chen, Yi-Lin; Yap, Glenn P. A.; Sun, Shih-Sheng; Ong, Tiow-Gan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 7382 - 7389
• a: 7.2059 ± 0.0004 Å
• b: 8.5398 ± 0.0004 Å
• c: 10.654 ± 0.0005 Å
• α: 80.801 ± 0.003°
• β: 76.925 ± 0.002°
• γ: 87.557 ± 0.002°
• Cell volume: 630.39 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0195
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No