Information card for entry 4321827

Structure parameters

• Common name: [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~]
• Chemical name: Di-(Bis-triphenylphosphonium iminium)(hexacarbonyl μ-sulfur dioxide diferrate)
• Formula: C80 H63 Fe2 N3 O10 P4 S2
• Calculated formula: C80 H63 Fe2 N3 O10 P4 S2
• Title of publication: New SO~2~ Iron-Containing Cluster Compounds [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)], [PPN]~2~[Fe~3~(CO)~8~(μ-SO2)μ~3~-S], [PPN]~2~[Fe~3~(CO)~8~(μ-SO~2~)(μ~3~-CCO)], and [PPN]~2~[Fe~2~(CO)~6~(μ-SO~2~)~2~] From Heterometal Precursors.
• Authors of publication: Randal W. Eveland; Casey C. Raymond; T. E. Albrecht-Schmitt; Duward F. Shriver
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1282 - 1287
• a: 10.0295 ± 0.0005 Å
• b: 26.3564 ± 0.0013 Å
• c: 14.1032 ± 0.0007 Å
• α: 90°
• β: 94.6914 ± 0.001°
• γ: 90°
• Cell volume: 3715.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No