Information card for entry 4062739

Structure parameters

• Formula: C28 H30 F12 Fe4 O2 P2
• Calculated formula: C28 F12 Fe4 O2 P2
• SMILES: O=[C]12[Fe]3456789%10(C%11[Fe]%12%13%14%15%16%1716([Fe]16%18%19%20%2127(C3[Fe]237%22%10%11%17%21([C]%121=O)[c]1([cH]2[cH]3[cH]7[cH]%221)C)[cH]1[cH]%18[c]6([cH]%19[cH]%201)C)[c]1([cH]%13[cH]%15[cH]%16[cH]%141)C)[c]1([cH]4[cH]5[cH]8[cH]91)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reversible Cleavage and Recombination of an Acetylenic Carbon-Carbon Bond on a Tetrairon Cluster Coupled with a Two-Electron Redox Reaction
• Authors of publication: Masaaki Okazaki; Takeo Ohtani; Hiroshi Ogino
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 4104 - 4105
• a: 14.903 ± 0.008 Å
• b: 10.168 ± 0.002 Å
• c: 20.654 ± 0.01 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 3129 ± 4 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No