Information card for entry 4307159

Structure parameters

• Common name: (Et4N)3(C9BH10N6)MoFe3S4(CN)3(MeCN)
• Formula: C38 H73 B Fe3 Mo N13 S4
• Calculated formula: C38 H53 B Fe3 Mo N13 S4
• Title of publication: Stabilization of Reduced Molybdenum-Iron-Sulfur Single- and Double-Cubane Clusters by Cyanide Ligation
• Authors of publication: Russell P. Pesavento; Curtis P. Berlinguette; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 510 - 516
• a: 12.79 ± 0.005 Å
• b: 13.476 ± 0.007 Å
• c: 17.12 ± 0.006 Å
• α: 89.51 ± 0.04°
• β: 75.03 ± 0.03°
• γ: 66.86 ± 0.03°
• Cell volume: 2607 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No