Information card for entry 7044170

Structure parameters

• Formula: C66 H93 Cl3 N6 O7.5 Tb Zn3
• Calculated formula: C66 H90 Cl3 N6 O7.5 Tb Zn3
• Title of publication: Chiral six-coordinate Dy(III) and Tb(III) complexes of an achiral ligand: Structure, fluorescence, and magnetism
• Authors of publication: Liu, Mei-Jiao; Yuan, Juan; Zhang, Yiquan; Sun, Hao-Ling; Liu, Cai-Ming; Kou, Hui-Zhong
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 12.4384 ± 0.0004 Å
• b: 16.3219 ± 0.0005 Å
• c: 19.7909 ± 0.0006 Å
• α: 74.076 ± 0.003°
• β: 82.733 ± 0.002°
• γ: 80.874 ± 0.002°
• Cell volume: 3800.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1662
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No