Information card for entry 7018087

Structure parameters

• Formula: C20 H11 Br F N6 Pt S4
• Calculated formula: C20 H11 Br F N6 Pt S4
• SMILES: [Pt]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.Brc1cc(F)c(C[n+]2ccc(N)cc2)cc1
• Title of publication: Observation of metal ion dependent packing structures and magnetic behaviors of metal-bis-1, 2-dithiolene complexes.
• Authors of publication: Pei, Wen-Bo; Wu, Jian-Sheng; Ren, Xiao-Ming; Tian, Zheng-Fang; Xie, Jingli
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 2667 - 2676
• a: 5.3139 ± 0.0013 Å
• b: 13.267 ± 0.003 Å
• c: 17.945 ± 0.005 Å
• α: 105.715 ± 0.005°
• β: 97.314 ± 0.005°
• γ: 100.347 ± 0.005°
• Cell volume: 1177.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No