Information card for entry 7103888

Structure parameters

• Formula: C42 H41 Cl5 Ga S24
• Calculated formula: C42 H41 Cl5 Ga S24
• SMILES: [Ga](Cl)(Cl)(Cl)[Cl-].Clc1ccccc1.S1CCCSC1=C1SC2SC(=C3SCCCS3)SC=2S1.S1CCCSC1=C1SC2SC(SC=2S1)=C1SCCCS1.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: 9.7552 ± 0.0009 Å
• b: 35.599 ± 0.004 Å
• c: 8.84 ± 0.002 Å
• α: 90°
• β: 92.12 ± 0.01°
• γ: 90°
• Cell volume: 3067.9 ± 0.6 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for all reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections: 1.633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.63
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No