Information card for entry 7701840

Structure parameters

• Chemical name: tBu-POCOP-Pd-N3
• Formula: C22 H39 N3 O2 P2 Pd
• Calculated formula: C22 H39 N3 O2 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: 8.4289 ± 0.0002 Å
• b: 11.8643 ± 0.0003 Å
• c: 13.282 ± 0.0004 Å
• α: 99.726 ± 0.002°
• β: 95.763 ± 0.002°
• γ: 102.906 ± 0.002°
• Cell volume: 1262.82 ± 0.06 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No