Information card for entry 7201586

Structure parameters

• Formula: C132 H126 Fe2 O39 S96
• Calculated formula: C132 H96 Fe2 O39 S96
• 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: 36.017 ± 0.01 Å
• b: 30.88 ± 0.01 Å
• c: 36.183 ± 0.015 Å
• α: 90°
• β: 93.66 ± 0.03°
• γ: 90°
• Cell volume: 40161 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1574
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1898
• Weighted residual factors for all reflections included in the refinement: 0.2283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No