Information card for entry 7219058

Structure parameters

• Formula: C20 H11 Br N5 Pt S4
• Calculated formula: C20 H11 Br N5 Pt S4
• SMILES: [Pt]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.Brc1ccc(C[n+]2ccccc2)cc1
• Title of publication: Investigation of structural and magnetic properties for two one-dimensional platinum-bis-dithiolene spin-Peierls-like transition salts
• Authors of publication: Ren, XiaoMing; Sui, Yun-Xia; Chen, Tian-Yu; Ning, Wei-Hua
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 12.181 ± 0.002 Å
• b: 26.728 ± 0.005 Å
• c: 7.4012 ± 0.0015 Å
• α: 90°
• β: 103.71 ± 0.03°
• γ: 90°
• Cell volume: 2341 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.0373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No