Information card for entry 2313022

Structure parameters

• Chemical name: μ~3~-Chlorido-tri-μ~3~-sulfido-tris(trimethylphosphine)[tris(3,5-dimethylpyrazol-1-yl)hydroborato]triiron(II)molybdenum(III) tetraphenylborate
• Formula: C48 H69 B2 Cl Fe3 Mo N6 P3 S3
• Calculated formula: C48 H69 B2 Cl Fe3 Mo N6 P3 S3
• Title of publication: Synthesis and crystal structure of the cubane-like cluster [(Tp*)MoFe₃S₃(μ₃-Cl)(PMe₃)₃](BPh₄).
• Authors of publication: He, Juan; Chen, Xuan-Yi; Wei, Jia; Han, Jie; Chen, Xu-Dong; Xu, Gan
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 7
• Pages of publication: 786 - 789
• a: 13.5563 ± 0.0006 Å
• b: 14.6993 ± 0.0006 Å
• c: 16.4158 ± 0.0007 Å
• α: 76.65 ± 0.002°
• β: 86.558 ± 0.002°
• γ: 89.408 ± 0.002°
• Cell volume: 3177 ± 0.2 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No