Information card for entry 4111252

Structure parameters

• Formula: C20 H16 N2 Pt S2
• Calculated formula: C20 H16 N2 Pt S2
• SMILES: [Pt]12(c3ccsc3c3[n]1c(ccc3)C)[n]1c(c3sccc23)cccc1C
• 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: 16.0087 ± 0.001 Å
• b: 9.0397 ± 0.0005 Å
• c: 24.8119 ± 0.0015 Å
• α: 90°
• β: 104.852 ± 0.002°
• γ: 90°
• Cell volume: 3470.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No