Information card for entry 4304467

Structure parameters

• Formula: C24 H12 Cl4 Cu3 N6 S12
• Calculated formula: C24 H12 Cl4 Cu3 N6 S12
• 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: 21.387 ± 0.002 Å
• b: 41.838 ± 0.005 Å
• c: 3.8011 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3401.2 ± 0.6 ų
• Cell temperature: 150.1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No