Information card for entry 7204034

Structure parameters

• Formula: C12 H8 N1.5 S4 Se4
• Calculated formula: C12 H8 N1.5 S4 Se4
• Title of publication: First-order phase transition in the organic metal κ-(BETS)2C(CN)3
• Authors of publication: Narymbetov, Bakhyt Zh.; Canadell, Enric; Togonidze, Tamaz; Khasanov, Salavat S.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Kobayashi, Hayao
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 2
• Pages of publication: 332
• a: 11.482 ± 0.006 Å
• b: 8.33 ± 0.003 Å
• c: 35.04 ± 0.01 Å
• α: 90°
• β: 94.87 ± 0.04°
• γ: 90°
• Cell volume: 3339 ± 2 ų
• Cell temperature: 50 K
• Ambient diffraction temperature: 50 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: A 1 2/a 1
• Hall space group symbol: -A 2ya
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for significantly intense reflections: 2.69
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No