Information card for entry 4083308

Structure parameters

• Formula: C16 H11 N3 Pt S4
• Calculated formula: C16 H11 N3 Pt S4
• SMILES: [Pt]12([n]3c(c4[n]2cccc4)cccc3)SC2=C(S1)SC(S2)=NCC#C
• Title of publication: Assembly of Platinum Diimine Dithiolate Complexes onto Hydrogen-Terminated Silicon Surfaces
• Authors of publication: Yzambart, Gilles; Fabre, Bruno; Roisnel, Thierry; Dorcet, Vincent; Ababou-Girard, Soraya; Meriadec, Cristelle; Lorcy, Dominique
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4766
• a: 8.241 ± 0.0002 Å
• b: 8.8161 ± 0.0002 Å
• c: 11.7669 ± 0.0003 Å
• α: 97.166 ± 0.001°
• β: 102.267 ± 0.001°
• γ: 90.086 ± 0.001°
• Cell volume: 828.52 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0228
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No