Information card for entry 7714483

Structure parameters

• Formula: C42 H32 Br2 F2 Fe N6 O2
• Calculated formula: C42 H32 Br2 F2 Fe N6 O2
• 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: 10.5047 ± 0.0001 Å
• b: 17.8232 ± 0.0002 Å
• c: 20.5854 ± 0.0002 Å
• α: 78.739 ± 0.001°
• β: 84.491 ± 0.001°
• γ: 74.668 ± 0.001°
• Cell volume: 3641.41 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No