Information card for entry 7045048

Structure parameters

• Formula: C25 H23 B Cl F4 N7 Pd
• Calculated formula: C25 H23 B Cl F4 N7 Pd
• SMILES: [B](F)(F)(F)[F-].C(c1ccccc1)n1c2c(c3cccc4c5c(n(Cc6ccccc6)n[n+]5C)[Pd]2([n]34)Cl)[n+](C)n1
• Title of publication: Palladium pincer-type complexes and zwitterionic sulfur adducts of pyridine-bridged bis(1,2,3-triazolin-5-ylidenes): syntheses, characterizations and catalytic applications.
• Authors of publication: Wang, Haiying; Zhang, Bo; Yan, Xuechao; Guo, Shuai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 528 - 537
• a: 17.8856 ± 0.001 Å
• b: 5.7367 ± 0.0003 Å
• c: 25.7084 ± 0.0015 Å
• α: 90°
• β: 101.715 ± 0.005°
• γ: 90°
• Cell volume: 2582.8 ± 0.3 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 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: 0.1268
• Residual factor for significantly intense reflections: 0.1111
• Weighted residual factors for significantly intense reflections: 0.2589
• Weighted residual factors for all reflections included in the refinement: 0.2683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No