Information card for entry 1565309

Structure parameters

• Formula: C18 H16 Br2 Co N2 S2
• Calculated formula: C18 H16 Br2 Co N2 S2
• SMILES: Br[Co]123([n]4ccccc4C[S]1c1ccccc1[S]2Cc1[n]3cccc1)Br
• Title of publication: Synthesis, characterization, magnetic anisotropy and catalytic behaviors of a cobalt complex of S,S′-bis(2-pyridylmethyl)-1,2-thiobenzene
• Authors of publication: Liu, Wei-Xia; Xie, Zhen-Lang; Zhan, Jun-Zheng; Zhan, Shu-Zhong; Wu, Song-Ping
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119400
• a: 17.664 ± 0.002 Å
• b: 19.9347 ± 0.0015 Å
• c: 13.9132 ± 0.001 Å
• α: 90°
• β: 126.815 ± 0.009°
• γ: 90°
• Cell volume: 3922.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1488
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No