Information card for entry 4320291

Structure parameters

• Formula: C60 H40 Cr2 N8 O4 S48
• Calculated formula: C60 H32 Cr2 N8 O4 S48
• Title of publication: New Charge Transfer Salts Based on Bis(ethylenedithio)tetrathiafulvalene (ET) and Ferro- or Antiferromagnetic Oxalato-Bridged Dinuclear Anions: Syntheses, Structures and Magnetism of ET5[MM'(C2O4)(NCS)8] with MM' = CrIIIFeIII, CrIIICrIII
• Authors of publication: Smaïl Triki; Florence Bérézovsky; Jean Sala Pala; Carlos J. Gómez-García; Eugenio Coronado; Karine Costuas; Jean-François Halet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5127 - 5132
• a: 12.66 ± 0.005 Å
• b: 12.812 ± 0.007 Å
• c: 16.29 ± 0.005 Å
• α: 109.89 ± 0.03°
• β: 97.93 ± 0.03°
• γ: 97.47 ± 0.03°
• Cell volume: 2416 ± 1.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.259
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections: 0.337
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections: 8.863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.664
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No