Information card for entry 4084590

Structure parameters

• Formula: C39.5 H38 Cl5 N2 O2 P Pd
• Calculated formula: C39.5 H38 Cl5 N2 O2 P Pd
• 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: 31.411 ± 0.008 Å
• b: 14.311 ± 0.003 Å
• c: 22.927 ± 0.01 Å
• α: 90°
• β: 130.876 ± 0.007°
• γ: 90°
• Cell volume: 7793 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No