Information card for entry 2023149

Structure parameters

• Chemical name: Tetraethylammonium triazidotri-μ~3~-sulfido-[μ~3~-(trimethylsilyl)azanediido][tris(3,5-dimethylpyrazol-1-yl)hydroborato]triiron(+2.33)molybdenum(VI)
• Formula: C26 H51 B Fe3 Mo N17 S3 Si
• Calculated formula: C26 H51 B Fe3 Mo N17 S3 Si
• Title of publication: Synthesis and crystal structure of the cluster (Et4N)[(Tp*)MoFe3S3(μ3-NSiMe3)(N3)3]
• Authors of publication: Li, Yue; Wei, Jia; Han, Jie; Chen, Xu-Dong
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 6
• Pages of publication: 691 - 694
• a: 10.689 ± 0.006 Å
• b: 11.321 ± 0.006 Å
• c: 19.03 ± 0.011 Å
• α: 75.306 ± 0.007°
• β: 84.362 ± 0.007°
• γ: 86.829 ± 0.007°
• Cell volume: 2216 ± 2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No