Information card for entry 4115175

Structure parameters

• Formula: C30 H50 Br Cu1.13 Li1.87 N4
• Calculated formula: C30 H50 Br Cu1.13 Li1.87 N4
• Title of publication: The First Homologous Series of Self-Assembled Aryl Bromo- and Aryl Cyanocuprates, -Argentates, and -Aurates; MLi~2~XAr~2~ (M = CuI, AgI, AuI; X = Br, C\τbN; Ar = [C~6~H~4~CH~2~N(Et)CH~2~CH~2~NEt~2~]-2)
• Authors of publication: Claudia M. P. Kronenburg; Johann T. B. H. Jastrzebski; Jaap Boersma; Martin Lutz; Anthony L. Spek; Gerard van Koten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 11675 - 11683
• a: 12.6266 ± 0.0005 Å
• b: 31.1512 ± 0.0011 Å
• c: 8.6751 ± 0.0004 Å
• α: 90°
• β: 109.306 ± 0.0007°
• γ: 90°
• Cell volume: 3220.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0594
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No