Information card for entry 7125195

Structure parameters

• Common name: [PdCl2{Bn-tzl-HPB(tBu)5}2]
• Chemical name: Dichlorobis(3-benzyl-5-[4-{2,3,4,5,6-penta(4-tert-butylphenyl)phenyl}phenyl]-1,2,3-triazole)palladium(II) hepta(dichloromethane) solvate
• Formula: C149 H168 Cl16 N6 Pd
• Calculated formula: C149 H168 Cl16 N6 Pd
• Title of publication: Carbon-rich "Click" 1,2,3-triazoles: hexaphenylbenzene and hexa-peri-hexabenzocoronene-based ligands for Suzuki-Miyaura catalysts.
• Authors of publication: Wright, James R.; Crowley, James D.; Lucas, Nigel T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 88
• Pages of publication: 12976 - 12979
• a: 12.4144 ± 0.0003 Å
• b: 17.9604 ± 0.0004 Å
• c: 33.3206 ± 0.0006 Å
• α: 97.426 ± 0.002°
• β: 96.076 ± 0.002°
• γ: 105.19 ± 0.002°
• Cell volume: 7033.5 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1214
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.2992
• Weighted residual factors for all reflections included in the refinement: 0.31
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No