Information card for entry 4111251

Structure parameters

• Formula: C20 H16 N2 Pt S2
• Calculated formula: C20 H16 N2 Pt S2
• SMILES: [Pt]12(c3c(c4[n]1cccc4)sc(c3)C)[n]1ccccc1c1c2cc(C)s1
• Title of publication: Dark-Field Oxidative Addition-Based Chemosensing: New Bis-cyclometalated Pt(II) Complexes and Phosphorescent Detection of Cyanogen Halides
• Authors of publication: Samuel W. Thomas; Koushik Venkatesan; Peter Müller; Timothy M. Swager
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 16641 - 16648
• a: 6.9633 ± 0.0012 Å
• b: 10.9345 ± 0.0018 Å
• c: 11.3463 ± 0.0019 Å
• α: 99.492 ± 0.003°
• β: 96.613 ± 0.003°
• γ: 90.63 ± 0.003°
• Cell volume: 846 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0181
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No