Information card for entry 7126312

Structure parameters

• Formula: C22 H16 N6
• Calculated formula: C22 H16 N6
• Title of publication: Trapping of ZnCl₂ by bipyridyl-functionalized organotin sulfide clusters, and its effect on optical properties.
• Authors of publication: Geringer, Eugenie; Leusmann, Eliza; Tambornino, Frank; Gerhard, Marina; Koch, Martin; Dehnen, Stefanie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 35
• Pages of publication: 4769 - 4772
• a: 7.9437 ± 0.0005 Å
• b: 10.9876 ± 0.0005 Å
• c: 10.2274 ± 0.0005 Å
• α: 90°
• β: 90.435 ± 0.004°
• γ: 90°
• Cell volume: 892.64 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No