Information card for entry 4322160

Structure parameters

• Formula: C48.5 H36.5 Fe N0.5 O13 S32
• Calculated formula: C48.5 H36.5 Fe N0.5 O13 S32
• Title of publication: Effect of Included Solvent Molecules on the Physical Properties of the Paramagnetic Charge Transfer Salts β''-(bedt-ttf)4[(H3O)Fe(C2O4)3].Solvent (bedt-ttf = Bis(ethylenedithio)tetrathiafulvalene)
• Authors of publication: Scott S. Turner; Peter Day; K. M. Abdul Malik; Michael B. Hursthouse; Simon J. Teat; Elizabeth J. MacLean; Lee Martin; Samual A. French
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3543 - 3549
• a: 10.267 ± 0.002 Å
• b: 19.845 ± 0.004 Å
• c: 34.907 ± 0.007 Å
• α: 90°
• β: 93.22 ± 0.03°
• γ: 90°
• Cell volume: 7101 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0974
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections: 0.1832
• Weighted residual factors for significantly intense reflections: 0.1657
• Goodness-of-fit parameter for all reflections: 0.983
• Goodness-of-fit parameter for significantly intense reflections: 1.16
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No