Information card for entry 4301974

Structure parameters

• Formula: C48 H104 Br7 Mo3 N3 Se7
• Calculated formula: C48 H104 Br7 Mo3 N3 Se7
• 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: 13.224 ± 0.002 Å
• b: 13.463 ± 0.002 Å
• c: 42.744 ± 0.006 Å
• α: 90°
• β: 97.049 ± 0.003°
• γ: 90°
• Cell volume: 7552.4 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No