Information card for entry 4301257

Structure parameters

• Formula: C42 H33 Cu4 I N24 S6
• Calculated formula: C42 H33 Cu4 I N24 S6
• SMILES: C1(NN=NN1c1ccccc1)=[S][Cu]123[I]45[Cu]67892[S]1=C1N(N=NN1c1ccccc1)[Cu]48([S]=C1NN=NN1c1ccccc1)[S]6=C1N(N=NN1c1ccccc1)[Cu]59([S]=C1NN=NN1c1ccccc1)[S]7=C1N3N=NN1c1ccccc1
• Title of publication: A Novel Supramolecular Tetrahedron Assembled from Tetranuclear Copper(I) Cluster Molecules via Aryl Embrace Interactions
• Authors of publication: Wei Wei; Mingyan Wu; Qiang Gao; Qingfu Zhang; Yougui Huang; Feilong Jiang; Maochun Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 420 - 422
• a: 22.4646 ± 0.0003 Å
• b: 22.4646 ± 0.0003 Å
• c: 22.4646 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11336.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No