Information card for entry 7201587

Structure parameters

• Common name: {(FeO12C6)(C10H8S8)6}.(H2O)8
• Chemical name: {(FeO12C6)(C10H8S8)6}.(H2O)8
• Formula: C66 H64 Fe O20 S48
• Calculated formula: C66 Fe O20 S48
• Title of publication: Magnetic molecular charge-transfer salts containing layers of water and tris(oxalato)ferrate(iii) anions
• Authors of publication: Martin, Lee; Day, Peter; Barnett, Sarah A.; Tocher, Derek A.; Horton, Peter N.; Hursthouse, Mike B.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 2
• Pages of publication: 192
• a: 17.9695 ± 0.0015 Å
• b: 15.4988 ± 0.0013 Å
• c: 36.115 ± 0.003 Å
• α: 90°
• β: 93.72 ± 0.002°
• γ: 90°
• Cell volume: 10037 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No