Information card for entry 4321826

Structure parameters

• Common name: [PPN]~2~[Fe~3~(CO)~9~(μ~3~,η^2^-SO~2~)]
• Chemical name: Di-(Bis-triphenylphosphonium iminium)(nona-carbonyl-μ~3~,η^2^-sulfur dioxide tri-ferrate)
• Formula: C81.5 H61 Cl Fe3 N2 O11 P4 S
• Calculated formula: C81.5 H61 Cl Fe3 N2 O11 P4 S
• 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: 29.7648 ± 0.0003 Å
• b: 14.6496 ± 0.0001 Å
• c: 21.762 ± 0.0003 Å
• α: 90°
• β: 123.397 ± 0.001°
• γ: 90°
• Cell volume: 7922.27 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.125
• Weighted residual factors for significantly intense reflections: 0.118
• Goodness-of-fit parameter for all reflections: 1.432
• Goodness-of-fit parameter for significantly intense reflections: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No