Information card for entry 4111253

Structure parameters

• Formula: C20 H14 N2 Pt S
• Calculated formula: C20 H14 N2 Pt S
• 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: 9.8404 ± 0.0008 Å
• b: 18.3388 ± 0.0018 Å
• c: 18.4798 ± 0.0017 Å
• α: 74.296 ± 0.003°
• β: 80.151 ± 0.003°
• γ: 86.066 ± 0.003°
• Cell volume: 3162.2 ± 0.5 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: 0.0704
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No