Information card for entry 4302133

Structure parameters

• Formula: C20 H16 Br4 In S8 Se8
• Calculated formula: C20 H16 Br4 In S8 Se8
• SMILES: [In](Br)([Br-])(Br)Br.[Se]1CC[Se]C2=C1SC(S2)=C1SC2=C([Se]CC[Se]2)S1.[Se]1CC[Se]C2=C1SC(S2)=C1SC2=C([Se]CC[Se]2)S1
• Title of publication: Electrical Properties of New Organic Conductor (BEST)2InBr4[BEST = Bis(ethylenediseleno)tetrathiafulvalene] up to 10.8 GPa and Antiferromagnetic Transition of (BEST)2FeBr4
• Authors of publication: Hengbo Cui; James Brooks; David Graf; Yoshinori Okano; Haoling Sun; Hayao Kobayashi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 4268 - 4270
• a: 6.7255 ± 0.001 Å
• b: 8.3619 ± 0.0013 Å
• c: 33.554 ± 0.005 Å
• α: 90.154 ± 0.003°
• β: 90.453 ± 0.003°
• γ: 95.206 ± 0.003°
• Cell volume: 1879.2 ± 0.5 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.383
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No