Information card for entry 4072760

Structure parameters

• Formula: C30 H37 Cl2 N7 O4 Pd
• Calculated formula: C30 H37 Cl2 N7 O4 Pd
• SMILES: C1(N(C=CN1CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1)=[Pd](Cl)(Cl)[n]1ccccc1.C(=O)N(C)C.C(=O)N(C)C
• Title of publication: Nonchelate and Chelate Complexes of Palladium(II) with N-Heterocyclic Carbene Ligands of Amido Functionality
• Authors of publication: Liao, Chuang-Yi; Chan, Kai-Ting; Zeng, Jing-Yao; Hu, Ching-Han; Tu, Cheng-Yi; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1692
• a: 9.0303 ± 0.0002 Å
• b: 23.7591 ± 0.0007 Å
• c: 15.2864 ± 0.0004 Å
• α: 90°
• β: 94.88 ± 0.002°
• γ: 90°
• Cell volume: 3267.84 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No