Information card for entry 7014589

Structure parameters

• Formula: C19 H20 Cl2 N4 Pd
• Calculated formula: C19 H20 Cl2 N4 Pd
• SMILES: [Pd]1(=C2N(c3cccc[n]13)C=CN2c1c(cc(cc1C)C)C)(Cl)Cl.N#CC
• Title of publication: Palladium(II) complexes based on 1,8-naphthyridine functionalized N-heterocyclic carbenes (NHC) and their catalytic activity.
• Authors of publication: Chang, Yung-Hung; Liu, Zu-Yin; Liu, Yi-Hung; Peng, Shei-Ming; Chen, Jwu-Ting; Liu, Shiuh-Tzung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 2
• Pages of publication: 489 - 494
• a: 8.9076 ± 0.0003 Å
• b: 8.9076 ± 0.0003 Å
• c: 21.4007 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1470.55 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No