Information card for entry 4084585

Structure parameters

• Formula: C19 H21 Cl2 N3 O Pd
• Calculated formula: C19 H21 Cl2 N3 O Pd
• SMILES: [Pd](Cl)(Cl)(C(n1c([n+](cc1)Cc1ccccc1)C)C(=O)C)[n]1ccccc1
• Title of publication: Zwitterionic Palladium Complexes: Room-Temperature Suzuki‒Miyaura Cross-Coupling of Sterically Hindered Substrates in an Aqueous Medium
• Authors of publication: Lee, Jhen-Yi; Ghosh, Dabalina; Lee, Jing-Yi; Wu, Shih-Sheng; Hu, Ching-Han; Liu, Shuang-De; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 22
• Pages of publication: 6481
• a: 8.562 ± 0.003 Å
• b: 22.486 ± 0.007 Å
• c: 10.568 ± 0.003 Å
• α: 90°
• β: 101.47 ± 0.02°
• γ: 90°
• Cell volume: 1994 ± 1.1 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: 0.0629
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No