Information card for entry 4306190

Structure parameters

• Formula: C26 H60 Cl4 Cu2 Mo4 N2 S16
• Calculated formula: C26 H60 Cl4 Cu2 Mo4 N2 S16
• SMILES: [Mo]123(S[Mo]456S[Cu](S1)([S]24)[S]1[Mo]24(S[Mo]78(S[Cu]([S]5CCS6)(S2)[S]47)SCCS8)SCC1)SCCS3.CC[N+](CC)(CC)CC.CC[N+](CC)(CC)CC.ClCCl.C(Cl)Cl
• 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: 12.235 ± 0.002 Å
• b: 14.633 ± 0.003 Å
• c: 16.959 ± 0.003 Å
• α: 84.44 ± 0.03°
• β: 80.71 ± 0.03°
• γ: 65.45 ± 0.03°
• Cell volume: 2724 ± 1.1 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No