Information card for entry 4107189

Structure parameters

• Formula: C24 H24 I3 S16
• Calculated formula: C24 H24 I3 S16
• SMILES: C1CCSC(=C2SC3=C(SC(=C4SCCCS4)S3)S2)S1.[I-](I)I.C1CCSC(=C2SC3=C(SC(=C4SCCCS4)S3)S2)S1
• Title of publication: Uniaxial Strain Orientation Dependence of Superconducting Transition Temperature (Tc) and Critical Superconducting Pressure (Pc) in β-(BDA-TTP)2I3
• Authors of publication: Koichi Kikuchi; Takayuki Isono; Masayuki Kojima; Haruo Yoshimoto; Takeshi Kodama; Wataru Fujita; Keiichi Yokogawa; Harukazu Yoshino; Keizo Murata; Takayuki Kaihatsu; Hiroki Akutsu; Jun-ichi Yamada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 19590 - 19593
• a: 6.389 ± 0.005 Å
• b: 9.097 ± 0.007 Å
• c: 16.659 ± 0.008 Å
• α: 96.44 ± 0.05°
• β: 95.07 ± 0.05°
• γ: 106.06 ± 0.04°
• Cell volume: 917.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.288
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No