Information card for entry 4123187

Structure parameters

• Formula: C58 H82 Al2 Cu4 N4 S4
• Calculated formula: C58 H82 Al2 Cu4 N4 S4
• SMILES: CC1=CC(C)=[N]([Al]2(N1c1c(cccc1C(C)C)C(C)C)[S]1[Cu]34[S]5[Cu]63[S]2[Cu]26[Cu]14[S]2[Al]15[N](=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and characterization of coinage metal aluminum sulfur species.
• Authors of publication: Li, Bin; Li, Jiancheng; Roesky, Herbert W.; Zhu, Hongping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 162 - 164
• a: 15.1861 ± 0.0009 Å
• b: 15.6922 ± 0.0011 Å
• c: 14.0997 ± 0.0008 Å
• α: 90°
• β: 113.341 ± 0.007°
• γ: 90°
• Cell volume: 3085 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No