Information card for entry 7710335

Structure parameters

• Formula: C66 H50 F12 N4 S4 Zn
• Calculated formula: C66 H50 F12 N4 S4 Zn
• Title of publication: A New Bis(thioether)-Dipyrrin N2S2 Ligand and Its Coordination Behaviors to Nickel, Copper and Zinc
• Authors of publication: Wu, Tengdie; Wang, Shen; Lv, Yongxin; Fu, Tianyue; Jiang, Jinhai; Lu, Xin; Yu, Zhi-Peng; zhang, jie; Wang, Lianke; Zhou, Hong-Ping
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.5949 ± 0.0013 Å
• b: 17.6861 ± 0.0017 Å
• c: 28.194 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6779 ± 1.2 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No