Information card for entry 1513192

Structure parameters

• Formula: C21 H12 F3 N6 Pt S4
• Calculated formula: C21 H12 F3 N6 Pt S4
• SMILES: FC(F)(F)c1ccc(C[n+]2ccc(N)cc2)cc1.[Pt]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N
• Title of publication: One-dimensional metal-bis-dithiolene compounds with diverse ion-pair arrangements, various magnetic properties and intense near-infrared absorption
• Authors of publication: Wen-Bo Pei; Jian-Sheng Wu; Wei-Hua Ning; Zheng-Fang Tian; Jian-Lan Liu; Xiao-Ming Ren
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 398
• Pages of publication: 28 - 39
• a: 7.5936 ± 0.0007 Å
• b: 11.6602 ± 0.0011 Å
• c: 14.6201 ± 0.0013 Å
• α: 69.291 ± 0.001°
• β: 84.595 ± 0.001°
• γ: 88.04 ± 0.001°
• Cell volume: 1205.48 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0825
• 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