Information card for entry 7701843

Structure parameters

• Chemical name: tBu-POCOP-Pd-NCSe
• Formula: C23 H39 N O2 P2 Pd Se
• Calculated formula: C23 H39 N O2 P2 Pd Se
• 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: 25.191 ± 0.0003 Å
• b: 8.172 ± 0.0001 Å
• c: 26.5788 ± 0.0004 Å
• α: 90°
• β: 103.098 ± 0.002°
• γ: 90°
• Cell volume: 5329.19 ± 0.13 ų
• Cell temperature: 169.99 ± 0.1 K
• Ambient diffraction temperature: 169.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No