Information card for entry 7710337

Structure parameters

• Formula: C33 H26 F6 N2 S2
• Calculated formula: C33 H13.5 F6 N2 S2
• 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: 9.5425 ± 0.0014 Å
• b: 22.706 ± 0.003 Å
• c: 28.33 ± 0.004 Å
• α: 90°
• β: 93.511 ± 0.002°
• γ: 90°
• Cell volume: 6126.8 ± 1.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1146
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1596
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No