Information card for entry 4300167

Structure parameters

• Common name: [(Cl4cat)2Mo2Fe6S8(PEt3)6]
• Formula: C48 H90 Cl8 Fe6 Mo2 O4 P6 S8
• Calculated formula: C48 H90 Cl8 Fe6 Mo2 O4 P6 S8
• Title of publication: Reduced Mono-, Di-, and Tetracubane-Type Clusters Containing the [MoFe3S4]2+ Core Stabilized by Tertiary Phosphine Ligation
• Authors of publication: Frank Osterloh; Brent M. Segal; Catalina Achim; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 980 - 989
• a: 13.549 ± 0.003 Å
• b: 14.114 ± 0.003 Å
• c: 23.654 ± 0.005 Å
• α: 76.04 ± 0.03°
• β: 86.02 ± 0.03°
• γ: 62.57 ± 0.03°
• Cell volume: 3891.7 ± 1.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.0937
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No