Information card for entry 8102608

Structure parameters

• Chemical name: trikis(tetramethylammonium) bis(bis(μ~2~- sulfido)-dithioxo-molybdenum(VI))-copper(I)
• Formula: C12 H36 Cu Mo2 N3 S8
• Calculated formula: C12 H36 Cu Mo2 N3 S8
• Title of publication: Crystal structure of tris(tetramethylammonium) tetrakis(m2-sulfido)-tetrasulfidocopper(I)-dimolybdenum(VI), [N(CH3)4]3[CuMo2S8]
• Authors of publication: Yuan Cao; Guosheng Cheng; Yulin Chen; Guozhu Shen
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 111
• a: 9.0866 ± 0.0013 Å
• b: 9.0866 ± 0.0013 Å
• c: 67.938 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4857.9 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No