Information card for entry 7245761

Structure parameters

• Formula: C46 H27 Cu F30 N5 O12 Tb
• Calculated formula: C46 H27 Cu F30 N5 O12 Tb
• Title of publication: Heterospin 2p-4f and 2p-3d-4f complexes constructed by a nitronyl nitroxide ligand: syntheses, structures and magnetic properties
• Authors of publication: Sun, Juan; Chen, Min; Li, Ying; Liu, Xingran; Fu, Xinyang; He, Lijun; Jin, Chuan-Ming
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 17.054 ± 0.002 Å
• b: 20.134 ± 0.002 Å
• c: 17.469 ± 0.002 Å
• α: 90°
• β: 104.342 ± 0.002°
• γ: 90°
• Cell volume: 5811.3 ± 1.1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No