Information card for entry 7052366

Structure parameters

• Common name: Bu4N, cis-Au(tfadt)
• Formula: C24 H36 Au F6 N3 S4
• Calculated formula: C24 H36 Au F6 N3 S4
• SMILES: [Au]12(SC(=C(S2)C(F)(F)F)C#N)SC(=C(S1)C(F)(F)F)C#N.C(CCC)[N+](CCCC)(CCCC)CCCC
• 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: 11.503 ± 0.0012 Å
• b: 12.2691 ± 0.0014 Å
• c: 12.5077 ± 0.0014 Å
• α: 104.268 ± 0.013°
• β: 113.245 ± 0.012°
• γ: 92.87 ± 0.012°
• Cell volume: 1550.2 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No