Information card for entry 4327374

Structure parameters

• Formula: C20 H11 Cl N5 Pt S4
• Calculated formula: C20 H11 Cl N5 Pt S4
• SMILES: [Pt]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.Clc1ccc(C[n+]2ccccc2)cc1
• Title of publication: Ionic Pair Complexes with Well-Separated Columnar Stack Structure Based on [Pt(mnt)2]- Ions Showing Unusual Magnetic Transition: Syntheses, Crystal Structures, and Magnetic Properties
• Authors of publication: X. M. Ren; H. Okudera; R. K. Kremer; Y. Song; C. He; Q. J. Meng; P. H. Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2569 - 2576
• a: 12.22 ± 0.003 Å
• b: 26.555 ± 0.006 Å
• c: 7.345 ± 0.0017 Å
• α: 90°
• β: 103.734 ± 0.004°
• γ: 90°
• Cell volume: 2315.3 ± 0.9 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: 0.0886
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No