Information card for entry 4072761

Structure parameters

• Formula: C24 H25 N5 O4 Pd
• Calculated formula: C24 H25 N5 O4 Pd
• SMILES: C12N3C=CN1CC(=O)N(c1ccccc1)[Pd]=2(N(C(=O)C3)c1ccccc1)[n]1ccccc1.O.O
• 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: 8.3775 ± 0.0009 Å
• b: 29.923 ± 0.003 Å
• c: 9.4386 ± 0.001 Å
• α: 90°
• β: 94.538 ± 0.002°
• γ: 90°
• Cell volume: 2358.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No