Information card for entry 4072756

Structure parameters

• Formula: C38 H38 F2 N6 O4 Pd
• Calculated formula: C38 H38 F2 N6 O4 Pd
• SMILES: C12N(C=CN1CC(=O)N([Pd]1=2=C2N(C=CN2CC(=O)N1c1ccccc1)Cc1ccc(cc1)F)c1ccccc1)Cc1ccc(cc1)F.OC.OC
• 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: 10.9128 ± 0.0003 Å
• b: 17.8089 ± 0.0005 Å
• c: 9.3293 ± 0.0003 Å
• α: 90°
• β: 110.505 ± 0.002°
• γ: 90°
• Cell volume: 1698.23 ± 0.09 ų
• Cell temperature: 396 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No