Information card for entry 4324945

Structure parameters

• Formula: C23 H15 N8 Pt S4
• Calculated formula: C23 H15 N8 Pt S4
• SMILES: C1(=C(C#N)S[Pt]2(S1)SC(=C(C#N)S2)C#N)C#N.c1cc(cc[n+]1Cc1ccc(cc1)C#N)N.CC#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: 12.404 ± 0.003 Å
• b: 31.06 ± 0.007 Å
• c: 7.2419 ± 0.0017 Å
• α: 90°
• β: 105.571 ± 0.004°
• γ: 90°
• Cell volume: 2687.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1219
• Residual factor for significantly intense reflections: 0.0983
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.2618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No