Information card for entry 7052367

Structure parameters

• Common name: (Perylene)3, [Au(tfadt)2]2
• Formula: C76 H36 Au2 F12 N4 S8
• Calculated formula: C76 H36 Au2 F12 N4 S8
• Title of publication: Perylene salts of unsymmetrical nickel and gold dithiolene complexes with 3 ∶ 2 stoichiometry: conformational polymorphism and strong antiferromagnetic interactions
• Authors of publication: Olivier Jeannin; Marc Fourmigué
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 1774
• a: 10.867 ± 0.0013 Å
• b: 12.7568 ± 0.0016 Å
• c: 13.221 ± 0.0015 Å
• α: 111.176 ± 0.013°
• β: 103.135 ± 0.014°
• γ: 96.571 ± 0.015°
• Cell volume: 1624.9 ± 0.4 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: 0.0399
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No