Information card for entry 7116660

Structure parameters

• Formula: C46 H79 Fe9 N2 O50
• Calculated formula: C46 H79 Fe9 N2 O50
• Title of publication: A three dimensional magnetically frustrated metal-organic framework via the vertices augmentation of underlying net
• Authors of publication: Jiong-Peng Zhao; Song-De Han; Xue Jiang; Jian Xu; Ze Chang; Xian-He Bu
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4627
• a: 18.927 ± 0.003 Å
• b: 18.927 ± 0.003 Å
• c: 24.693 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7661 ± 2 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No