Information card for entry 7126314

Structure parameters

• Formula: C12 H12 Cl2 Co N4
• Calculated formula: C12 H12 Cl2 Co N4
• SMILES: [Co]12(Cl)(Cl)[n]3c(cccc3)c3[n]1c(C(=[N]2N)C)ccc3
• 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: 10.6519 ± 0.001 Å
• b: 8.1804 ± 0.0006 Å
• c: 15.5453 ± 0.0015 Å
• α: 90°
• β: 97.892 ± 0.008°
• γ: 90°
• Cell volume: 1341.7 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No