Information card for entry 7701838

Structure parameters

• Chemical name: tBu-PBP-Pd-NCS
• Formula: C25 H44 B N3 P2 Pd S
• Calculated formula: C25 H44 B N3 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: 7.946 ± 0.0002 Å
• b: 16.547 ± 0.0004 Å
• c: 23.1657 ± 0.0006 Å
• α: 71.489 ± 0.002°
• β: 86.395 ± 0.002°
• γ: 86.289 ± 0.002°
• Cell volume: 2879.36 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No