Information card for entry 4348814

Structure parameters

• Common name: Fe13 cluster capped by 6 bismuth cations and 12 TFA ligands
• Formula: C24 Bi6 F36 Fe13 O76
• Calculated formula: C24 Bi6 F36 Fe13 O76
• Title of publication: Chemical Stabilization and Electrochemical Destabilization of the Iron Keggin Ion in Water.
• Authors of publication: Sadeghi, Omid; Falaise, Clément; Molina, Pedro I.; Hufschmid, Ryan; Campana, Charles F.; Noll, Bruce C.; Browning, Nigel D.; Nyman, May
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 21
• Pages of publication: 11078 - 11088
• a: 27.6602 ± 0.0005 Å
• b: 27.6602 ± 0.0005 Å
• c: 27.6602 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21162.5 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.36
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No