Information card for entry 4324947

Structure parameters

• Formula: C20 H13 N6 Pt S4
• Calculated formula: C20 H13 N6 Pt S4
• SMILES: [Pt]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.c1(cc[n+](cc1)Cc1ccccc1)N
• Title of publication: Stack Pattern of the Countercation-Modulating Magnetic Property of Low-Dimensional [Pt(mnt)2]- Monoanion Spin Systems
• Authors of publication: Wen-Bo Pei; Jian-Sheng Wu; Zheng-Fang Tian; Xiao-Ming Ren; You Song
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3970 - 3980
• a: 11.533 ± 0.004 Å
• b: 14.191 ± 0.005 Å
• c: 15.786 ± 0.005 Å
• α: 73.318 ± 0.007°
• β: 74.034 ± 0.007°
• γ: 68.03 ± 0.006°
• Cell volume: 2253.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No