Information card for entry 7701841

Structure parameters

• Chemical name: tBu-PBP-Pd-SH
• Formula: C36 H57 B N2 P2 Pd S
• Calculated formula: C36 H57 B N2 P2 Pd S
• 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: 15.2903 ± 0.0003 Å
• b: 17.5028 ± 0.0003 Å
• c: 15.0487 ± 0.0003 Å
• α: 90°
• β: 107.062 ± 0.002°
• γ: 90°
• Cell volume: 3850.13 ± 0.13 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No