Information card for entry 7125197

Structure parameters

• Common name: [PdBr2(iPr2-bimy){Bn-tzl-HBC(tBu5)}]
• Chemical name: Dibromo(1,3-diisopropylbenzimidazol-2-ylidene){1-benzyl-4-(5,8,11,14,17-penta-tert-butylhexa-peri-hexabenzocoronenyl)-1H-1,2,3-triazole}palladium(II)
• Formula: C168 H166 Br4 N10 Pd2
• Calculated formula: C168 H166 Br4 N10 Pd2
• 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: 14.6518 ± 0.0002 Å
• b: 16.6609 ± 0.0002 Å
• c: 33.4649 ± 0.0004 Å
• α: 97.604 ± 0.001°
• β: 92.496 ± 0.001°
• γ: 92.487 ± 0.001°
• Cell volume: 8079.7 ± 0.18 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: 0.0565
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No