Information card for entry 4338839

Structure parameters

• Formula: C237 H150 Cl24 Fe3 O42 S144
• Calculated formula: C237 H150 Cl24 Fe3 O42 S144
• Title of publication: Structural Diversity and Physical Properties of Paramagnetic Molecular Conductors Based on Bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF) and the Tris(chloranilato)ferrate(III) Complex.
• Authors of publication: Atzori, Matteo; Pop, Flavia; Auban-Senzier, Pascale; Gómez-García, Carlos J; Canadell, Enric; Artizzu, Flavia; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 7028 - 7039
• a: 20.9445 ± 0.0004 Å
• b: 26.6794 ± 0.0007 Å
• c: 33.9306 ± 0.0007 Å
• α: 68.231 ± 0.002°
• β: 80.742 ± 0.002°
• γ: 71.238 ± 0.002°
• Cell volume: 16653.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.297
• Weighted residual factors for all reflections included in the refinement: 0.3505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No