Information card for entry 7018414

Structure parameters

• Formula: C26 H20 N4 Pt S4
• Calculated formula: C26 H20 N4 Pt S4
• SMILES: C12=C(N(CCN1Cc1ccccc1)Cc1ccccc1)S[Pt]1(S2)Sc2cc(c(cc2S1)C#N)C#N
• Title of publication: Mixed-ligand Pt(ii) dithione-dithiolato complexes: influence of the dicyanobenzodithiolato ligand on the second-order NLO properties.
• Authors of publication: Espa, Davide; Pilia, Luca; Marchiò, Luciano; Artizzu, Flavia; Serpe, Angela; Mercuri, Maria Laura; Simão, Dulce; Almeida, Manuel; Pizzotti, Maddalena; Tessore, Francesca; Deplano, Paola
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 3485 - 3493
• a: 21.151 ± 0.002 Å
• b: 16.3 ± 0.001 Å
• c: 7.921 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2730.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No