Information card for entry 7039210

Structure parameters

• Formula: C50 H70 Br4 Cu4 N10
• Calculated formula: C50 H70 Br4 Cu4 N10
• SMILES: [Br]1[Cu]2(Br)([C]34[Cu]52=C2N6Cc7[n]5c(ccc7)CN3C=CN4CCCCCCCCCCCCN2C=C6)[Br][Cu]21(Br)[C]13[Cu]42=C2N5Cc6cccc(CN1C=CN3CCCCCCCCCCCCN2C=C5)[n]46
• Title of publication: Well-defined coinage metal transfer agents for the synthesis of NHC-based nickel, rhodium and palladium macrocycles.
• Authors of publication: Andrew, Rhiann E.; Storey, Caroline M.; Chaplin, Adrian B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8937 - 8944
• a: 8.2779 ± 0.0002 Å
• b: 10.9565 ± 0.0003 Å
• c: 15.7732 ± 0.0005 Å
• α: 100.004 ± 0.002°
• β: 96.75 ± 0.002°
• γ: 106.179 ± 0.002°
• Cell volume: 1332.04 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No