Information card for entry 7701836

Structure parameters

• Chemical name: tBu-PBP-Pd-Cl
• Formula: C28 H53 B Cl3 N2 P2 Pd
• Calculated formula: C28 H53 B Cl3 N2 P2 Pd
• Title of publication: Palladium(II) complexes supported by PBP and POCOP pincer ligands: comparison of structure, property and catalytic activity
• Authors of publication: Ding, Yazhou; Ma, Qiang-Qiang; Kang, Jiaxin; Zhang, Jie; Li, Shujun; Chen, Xuenian
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 8.1561 ± 0.0002 Å
• b: 30.3997 ± 0.0007 Å
• c: 14.3424 ± 0.0003 Å
• α: 90°
• β: 93.997 ± 0.002°
• γ: 90°
• Cell volume: 3547.45 ± 0.14 ų
• Cell temperature: 289 ± 0.1 K
• Ambient diffraction temperature: 289 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No