Information card for entry 7714480

Structure parameters

• Formula: C44 H34 Br2 Fe N6 O4 S2
• Calculated formula: C44 H34 Br2 Fe N6 O4 S2
• Title of publication: Fe(II) complexes of 2,2':6',2"-terpyridine ligands functionalized with substituted-phenyl groups: Synthesis, crystal structures and anticancer potential
• Authors of publication: Sun, Dameng; Huang, Xin; Man, Ruo-Jun; Jia, Xinjie; Song, Xinluan; Wang, Sihan; Xue, Xingyong; Liu, Hongming; Ma, Zhen
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 8.8732 ± 0.001 Å
• b: 15.936 ± 0.002 Å
• c: 16.198 ± 0.002 Å
• α: 79.159 ± 0.011°
• β: 85.249 ± 0.01°
• γ: 75.473 ± 0.011°
• Cell volume: 2176.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.2022
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.1876
• Weighted residual factors for all reflections included in the refinement: 0.2516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No