Information card for entry 4127170

Structure parameters

• Common name: GK2
• Formula: C19 H22 Cl4 N2 Sn2
• Calculated formula: C19 H22 Cl4 N2 Sn2
• Title of publication: Titanocene-Mediated Dinitrile Coupling: A Divergent Route to Nitrogen-Containing Polycyclic Aromatic Hydrocarbons.
• Authors of publication: Kiel, Gavin R.; Samkian, Adrian E.; Nicolay, Amélie; Witzke, Ryan J.; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 7.2579 ± 0.0003 Å
• b: 12.5778 ± 0.0005 Å
• c: 12.8986 ± 0.0005 Å
• α: 77.066 ± 0.002°
• β: 78.635 ± 0.002°
• γ: 84.963 ± 0.002°
• Cell volume: 1123.94 ± 0.08 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: 0.0363
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No