Information card for entry 4061220

Structure parameters

• Formula: C17 H20 F3 O5 Rh S
• Calculated formula: C17 H20 F3 O5 Rh S
• SMILES: [Rh]123456789([c]%10([O-])[cH]1[cH]2[c]3([cH]4[cH]5%10)O)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: eta5-Semiquinone Complexes and the Related p- eta4-Benzoquinone of Pentamethylcyclopentadienyl-Rhodium and -Iridium: Synthesis, Structures, Hydrogen Bonding and Electrochemical Behavior
• Authors of publication: Jamal Moussa; Carine Guyard-Duhayon; Patrick Herson; Marie Noelle Rager; Hani Amouri; Anny Jutand
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 8.4919 ± 0.0011 Å
• b: 13.4629 ± 0.0018 Å
• c: 33.527 ± 0.005 Å
• α: 90°
• β: 92.941 ± 0.011°
• γ: 90°
• Cell volume: 3827.9 ± 0.9 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No