Information card for entry 7126315

Structure parameters

• Formula: C11 H8 Cl2 N2 O Zn
• Calculated formula: C11 H8 Cl2 N2 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c(c3[n]1cccc3)cc(cc2)C=O
• 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: 8.2052 ± 0.0006 Å
• b: 8.6043 ± 0.0005 Å
• c: 9.7408 ± 0.0006 Å
• α: 98.959 ± 0.005°
• β: 97.49 ± 0.006°
• γ: 115.238 ± 0.005°
• Cell volume: 599.38 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 0.763
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No