Information card for entry 4072755

Structure parameters

• Formula: C44 H56 N6 O6 Pd S4
• Calculated formula: C44 H56 N6 O6 Pd S4
• SMILES: C12N(C=CN1CC(=O)N(c1ccccc1)[Pd]1=2=C2N(C=CN2CC(=O)N1c1ccccc1)Cc1ccccc1)Cc1ccccc1.O=S(C)C.S(C)(C)=O.O=S(C)C.O=S(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: 9.4419 ± 0.0019 Å
• b: 11.375 ± 0.003 Å
• c: 12.702 ± 0.003 Å
• α: 65.688 ± 0.004°
• β: 87.358 ± 0.005°
• γ: 69.092 ± 0.005°
• Cell volume: 1153.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No