Information card for entry 4084588

Structure parameters

• Formula: C25 H24 Cl3 N3 O2 Pd
• Calculated formula: C25 H24 Cl3 N3 O2 Pd
• SMILES: C(C(=O)C)(n1c(c2ccccc2)[n+](cc1)Cc1cccc(c1)OC)[Pd](Cl)(Cl)[n]1cccc(c1)Cl
• 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: 9.8749 ± 0.0008 Å
• b: 11.9278 ± 0.0009 Å
• c: 21.6857 ± 0.0018 Å
• α: 90°
• β: 95.488 ± 0.006°
• γ: 90°
• Cell volume: 2542.6 ± 0.4 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: 0.1147
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No