Information card for entry 7103887

Structure parameters

• Formula: C24 H24 Cl4 Ga S16
• Calculated formula: C24 H24 Cl4 Ga S16
• SMILES: [Ga](Cl)(Cl)([Cl-])Cl.S1CCCSC1=C1SC2SC(=C3SCCCS3)SC=2S1.S1CCCSC1=C1SC2SC(=C3SCCCS3)SC=2S1
• Title of publication: A new organic superconductor, β-(BDA-TTP)2GaCl4 [BDA-TTP = 2,5-(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene]
• Authors of publication: Yamada, Jun-ichi; Toita, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi; Choi, Eun S.; Graf, David; Brooks, James S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2230 - 2231
• a: 12.4693 ± 0.0011 Å
• b: 38.768 ± 0.005 Å
• c: 7.7351 ± 0.0002 Å
• α: 90°
• β: 91.199 ± 0.0004°
• γ: 90°
• Cell volume: 3738.4 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1052
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No