Information card for entry 7125196

Structure parameters

• Common name: [PdCl2{Bn-tzl-HBC(tBu)5}2]
• Chemical name: Dichlorobis(1-benzyl-4-[5,8,11,14,17-penta(tert-butyl)-2-hexa-peri-hexabenzocoronenyl]-1,2,3-triazole)palladium(II)
• Formula: C142 H130 Cl2 N6 Pd
• Calculated formula: C142 H130 Cl2 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: 22.053 ± 0.0006 Å
• b: 39.391 ± 0.003 Å
• c: 14.3467 ± 0.0006 Å
• α: 90°
• β: 99.711 ± 0.003°
• γ: 90°
• Cell volume: 12284.3 ± 1.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.1571
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No