Information card for entry 4100882

Structure parameters

• Formula: C38 H91 F12 Fe4 N3 O4 P10 S4
• Calculated formula: C38 H91 F12 Fe4 N3 O4 P10 S4
• SMILES: [Fe]123([FeH]4([P](C)(C)C)([P](C)(C)C)([S]1CC[S]24)C3=O)([P](C)(C)C)([P](C)(C)C)C#[O].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Authors of publication: Wilson, Scott R.; Prussak-Wieckowska, Teresa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 33.1943 ± 0.0011 Å
• b: 17.1237 ± 0.0006 Å
• c: 25.3979 ± 0.0009 Å
• α: 90°
• β: 109.218 ± 0.002°
• γ: 90°
• Cell volume: 13631.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No