Information card for entry 4300168

Structure parameters

• Common name: [{(Meida)MoFe3S4(PCy3)3}4Fe2(mu-Cl)(CH3CN)2](BPh4)3.2CH3CN
• Formula: C316 H496 B3 Cl Fe14 Mo4 N8 O16 P12 S16
• Calculated formula: C314.752 H488.96 B2.948 Cl Fe14 Mo4 N8 O16 P12 S16
• 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: 32.9623 ± 0.0003 Å
• b: 32.9623 ± 0.0003 Å
• c: 35.6578 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38742.7 ± 0.7 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 10
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No