Information card for entry 4072616

Structure parameters

• Formula: C30 H33 Br N4 Pd
• Calculated formula: C30 H33 Br N4 Pd
• SMILES: [Pd]12(Br)=C3N(c4c(cccc4)N3Cc3cccc(c13)CN1C=2N(c2c1cccc2)CCCC)CCCC
• Title of publication: Synthesis of Pincer-Type Bis(benzimidazolin-2-ylidene) Palladium Complexes and Their Application in C−C Coupling Reactions
• Authors of publication: Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 150
• a: 8.683 ± 0.0001 Å
• b: 10.7218 ± 0.0002 Å
• c: 15.8253 ± 0.0003 Å
• α: 102.434 ± 0.001°
• β: 94.273 ± 0.001°
• γ: 113.397 ± 0.001°
• Cell volume: 1299.22 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0512
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No