Information card for entry 7204322

Structure parameters

• Formula: C20 H8 Au I4 N4 S8 Se4
• Calculated formula: C20 H8 Au I4 N4 S8 Se4
• SMILES: C1([Se]C2=C(SCCS2)[Se]1)=C1SC(=C(I)S1)I.C(#N)[Au](C#N)(C#N)C#N.C1([Se]C2=C(SCCS2)[Se]1)=C1SC(=C(I)S1)I
• Title of publication: A supramolecular superconductor θ-(DIETS)2[Au(CN)4]
• Authors of publication: Imakubo, Tatsuro; Tajima, Naoya; Tamura, Masafumi; Kato, Reizo; Nishio, Yutaka; Kajita, Koji
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 159
• a: 4.274 ± 0.004 Å
• b: 11.114 ± 0.003 Å
• c: 37.426 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1777.8 ± 1.7 ų
• Cell temperature: 293.2 K
• Number of distinct elements: 7
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for significantly intense reflections: 0
• Weighted residual factors for all reflections included in the refinement: 0.0415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No