Information card for entry 4115775

Structure parameters

• Common name: Pt2(EtCS2)4I2
• Formula: C12 H20 I2 Pt2 S8
• Calculated formula: C12 H20 I2 Pt2 S8
• Title of publication: Metallic Behavior and Periodical Valence Ordering in a MMX Chain Compound, Pt2(EtCS2)4I
• Authors of publication: Minoru Mitsumi; Tomoko Murase; Hideyuki Kishida; Tetsuya Yoshinari; Yoshiki Ozawa; Koshiro Toriumi; Takuya Sonoyama; Hiroshi Kitagawa; Tadaoki Mitani
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 11179 - 11192
• a: 16.049 ± 0.002 Å
• b: 11.0619 ± 0.0007 Å
• c: 15.772 ± 0.002 Å
• α: 90°
• β: 117.132 ± 0.004°
• γ: 90°
• Cell volume: 2491.9 ± 0.5 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0378
• Goodness-of-fit parameter for significantly intense reflections: 1.278
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No