Information card for entry 7710336

Structure parameters

• Formula: C66 H50 Cl2 F12 N4 Ni2 S4
• Calculated formula: C66 H50 Cl2 F12 N4 Ni2 S4
• 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: 10.3025 ± 0.0017 Å
• b: 12.284 ± 0.002 Å
• c: 14.517 ± 0.002 Å
• α: 69.29 ± 0.002°
• β: 70.236 ± 0.002°
• γ: 85.129 ± 0.003°
• Cell volume: 1616 ± 0.4 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No