Information card for entry 4301973

Structure parameters

• Formula: C84 H36 Mo6 N24 O35 S2 Se6
• Calculated formula: C36 H36 Cl8 Mo6 N24 O35 S2 Se6
• Title of publication: Synthesis and Characterization of Mixed Chalcogen Triangular Complexes with New Mo3(μ3-S)(μ2-Se2)34+ and M3(μ3-S)(μ2-Se)34+ (M = Mo, W) Cluster Cores
• Authors of publication: Artem L. Gushchin; Bee-Lean Ooi; Pernille Harris; Cristian Vicent; Maxim N. Sokolov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3832 - 3839
• a: 16.5848 ± 0.0011 Å
• b: 18.5208 ± 0.0012 Å
• c: 14.9836 ± 0.001 Å
• α: 90°
• β: 104.483 ± 0.001°
• γ: 90°
• Cell volume: 4456.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No