Information card for entry 4513612

Structure parameters

• Formula: C51 H51 Ba Fe2 N5 Na O17
• Calculated formula: C48 H40 Ba Fe2 N4 Na O14
• Title of publication: Heterotrimetallic Organic Framework Assembled with FeIII/BaII/NaIand Schiff Base: Structure and Visible Photocatalytic Degradation of Chlorophenols
• Authors of publication: Wang, Hui-Hui; Yang, Jin; Liu, Ying-Ying; Song, Shuyan; Ma, Jian-Fang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 10
• Pages of publication: 4986
• a: 31.955 ± 0.003 Å
• b: 65.386 ± 0.002 Å
• c: 12.957 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27072 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 22
• Hermann-Mauguin space group symbol: F 2 2 2
• Hall space group symbol: F 2 2
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No