Information card for entry 7204111

Structure parameters

• Formula: C28 H17 N2 O4 S16
• Calculated formula: C28 H17 N2 O4 S16
• Title of publication: Preparation of a Mott insulator based on a BEDT-TTF charge transfer complex of hydrogen cyananilate: α'-(BEDT-TTF)2HCNAL
• Authors of publication: Zaman, Md. B.; Toyoda, J.; Morita, Y.; Nakamura, S.; Yamochi, H.; Saito, G.; Nishimura, K.; Yoneyama, N.; Enoki, T.; Nakasuji, K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2211
• a: 7.606 ± 0.003 Å
• b: 6.773 ± 0.003 Å
• c: 34.531 ± 0.002 Å
• α: 90°
• β: 93.12 ± 0.01°
• γ: 90°
• Cell volume: 1776.2 ± 1.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No