Information card for entry 4506003

Structure parameters

• Formula: C21 H15 N6 Pt S4
• Calculated formula: C21 H15 N6 Pt S4
• SMILES: [Pt]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[n+]1(ccc(N)cc1)Cc1ccc(cc1)C
• Title of publication: Crystalline Phase Selections in a [Pt(mnt)2]−Ion-Pair Compound Using Solvents
• Authors of publication: Pei, Wen-Bo; Wu, Jian-Sheng; Ning, Wei-Hua; Ren, Xiao-Ming; Tian, Zheng-Fang; Sui, Yun-Xia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2419
• a: 4.4886 ± 0.0008 Å
• b: 15.7 ± 0.003 Å
• c: 18.55 ± 0.003 Å
• α: 82.203 ± 0.002°
• β: 85.751 ± 0.002°
• γ: 83.013 ± 0.002°
• Cell volume: 1283.3 ± 0.4 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: 0.0538
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No