Information card for entry 4320728

Structure parameters

• Formula: C14 H16 Cu N5 O S2
• Calculated formula: C14 H16 Cu N5 O S2
• Title of publication: Synthesis and Cleavage Reactions of Metal-Metal-Bonded [Mo2(S2CNR2)6](OTf)2, a Source of the Tris(dithiocarbamato)molybdenum(IV) Fragment
• Authors of publication: Sean B. Seymore; Seth N. Brown
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6676 - 6683
• a: 8.3436 ± 0.0008 Å
• b: 9.4433 ± 0.001 Å
• c: 22.347 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1760.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0674
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No