Information card for entry 4306192

Structure parameters

• Formula: C24 H28 Cu2 Mo2 N4 O S7
• Calculated formula: C24 H28 Cu2 Mo2 N4 O S7
• SMILES: [Mo]123456([Cu]7([n]8ccccc8)([S]1CC[S]2[Cu]5([S]37)([n]1ccccc1)[n]1ccccc1)[n]1ccccc1)S[Mo]16(=O)(S4)SCCS1
• Title of publication: Construction of Symmetric and Asymmetric Mo/S/Cu Clusters from a Cluster Precursor [Et4N]2[(edt)2Mo2S2(μ-S)2] (edt = Ethanedithiolate)
• Authors of publication: Zhen-Hong Wei; Hong-Xi Li; Wen-Hua Zhang; Zhi-Gang Ren; Yong Zhang; Jian-Ping Lang; Brendan F. Abrahams
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10461 - 10468
• a: 9.6843 ± 0.0019 Å
• b: 17.934 ± 0.004 Å
• c: 18.418 ± 0.004 Å
• α: 90°
• β: 94.26 ± 0.03°
• γ: 90°
• Cell volume: 3190 ± 1.2 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0534
• 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