Information card for entry 4304466

Structure parameters

• Formula: C8 H4 Cl2 Cu N2 S4
• Calculated formula: C8 H4 Cl2 Cu N2 S4
• Title of publication: Intrinsic Carrier Doping in Antiferromagnetically Interacted Supramolecular Copper Complexes with (Pyrazino)tetrathiafulvalene (Pyra-TTF) as the Ligand, [CuIICl2(pyra-TTF)] and (Pyra-TTF)2[CuI3Cl4(pyra-TTF)]
• Authors of publication: Shun Ichikawa; Shinya Kimura; Kazuyuki Takahashi; Hatsumi Mori; Gosuke Yoshida; Yuichi Manabe; Masaki Matsuda; Hiroyuki Tajima; Jun-ichi Yamaura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4140 - 4145
• a: 13.802 ± 0.002 Å
• b: 6.8732 ± 0.0007 Å
• c: 13.314 ± 0.002 Å
• α: 90°
• β: 103.03 ± 0.01°
• γ: 90°
• Cell volume: 1230.5 ± 0.3 ų
• Cell temperature: 298.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No