Information card for entry 4333143

Structure parameters

• Formula: C46 H35 Cr O13.5 S16 Se16
• Calculated formula: C46 H32 Cr O13.5 S16 Se16
• Title of publication: Radical Salts of Bis(ethylenediseleno)tetrathiafulvalene with Paramagnetic Tris(oxalato)metalate Anions
• Authors of publication: Coronado, Eugenio; Curreli, Simona; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Alberola, Antonio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10815 - 10824
• a: 33.748 ± 0.001 Å
• b: 12.3151 ± 0.0007 Å
• c: 8.8218 ± 0.0005 Å
• α: 90°
• β: 99.674 ± 0.005°
• γ: 90°
• Cell volume: 3614.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.2429
• Weighted residual factors for all reflections included in the refinement: 0.2744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No