Information card for entry 4319167

Structure parameters

• Common name: [Et4N]4[(Cl4cat)2Mo2Fe6S8(PEt3)6][(Cl4cat)2Mo2Fe6S8(PEt3)6]3.2Et2O.2MeCN
• Formula: C232 H456 Cl32 Fe24 Mo8 N6 O17 P24 S32
• Calculated formula: C232 H456 Cl32 Fe24 Mo8 N6 O17 P24 S32
• Title of publication: Molybdenum-Iron-Sulfur Clusters of Nuclearities Eight and Sixteen, Including a Topological Analogue of the P-Cluster of Nitrogenase
• Authors of publication: Frank Osterloh; Catalina Achim; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 224 - 232
• a: 13.31 ± 0.003 Å
• b: 23.69 ± 0.005 Å
• c: 31.33 ± 0.006 Å
• α: 102.81 ± 0.03°
• β: 98.81 ± 0.03°
• γ: 92.83 ± 0.03°
• Cell volume: 9484 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.1306
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No