Information card for entry 2220068

Structure parameters

• Chemical name: Tris(tetramethylammonium) tetra-μ~2~-sulfido-tetrasulfidocopper(I)dimolybdenum(VI) <i>N</i>,<i>N</i>-dimethylformamide solvate
• Formula: C15 H43 Cu Mo2 N4 O S8
• Calculated formula: C15 H43 Cu Mo2 N4 O S8
• SMILES: [Mo]12([Cu]34([Mo](S3)(S4)(=S)=S)(S1)S2)(=S)=S.O=CN(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Tris(tetramethylammonium) tetra-μ~2~-sulfido-tetrasulfidocopper(I)dimolybdenum(VI) <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Cao, Yuan; Chen, Yulin; Cheng, Guosheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1546
• a: 9.438 ± 0.0019 Å
• b: 20.336 ± 0.004 Å
• c: 17.718 ± 0.004 Å
• α: 90°
• β: 98.6 ± 0.03°
• γ: 90°
• Cell volume: 3362.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes