Information card for entry 7044145

Structure parameters

• Formula: C95 H145 Fe6 N6 O21 Y
• Calculated formula: C95 H145 Fe6 N6 O21 Y
• Title of publication: Unprecedented Family of Heterometallic LnІІІ[18-Metallacrown-6] Complexes: Syntheses, Structures and Magnetic Properties
• Authors of publication: yang, wei; Yang, Hua; Zeng, Suyuan; Li, DaCheng; Dou, Jianmin
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 18.8699 ± 0.0015 Å
• b: 19.302 ± 0.0017 Å
• c: 20.6676 ± 0.0018 Å
• α: 70.124 ± 0.001°
• β: 76.593 ± 0.002°
• γ: 68.837 ± 0.001°
• Cell volume: 6550.5 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1409
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No