Information card for entry 1561214

Structure parameters

• Formula: C50 H22 N10 O14 Zn3
• Calculated formula: C50 H22 N10 O14 Zn3
• Title of publication: Two 3D metal−organic frameworks as multi-functional materials to detect Fe3+ ions and nitroaromatic explosives and to encapsulate Ln3+ ions for white-light emission
• Authors of publication: Ma, Bing; Xu, Jianing; Qi, Hui; Sun, Jing; Chai, Juan; Jia, Jia; Jing, Shubo; Fan, Yong; Wang, Li
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 258
• Pages of publication: 42 - 48
• a: 28.277 ± 0.006 Å
• b: 13.611 ± 0.003 Å
• c: 15.438 ± 0.003 Å
• α: 90°
• β: 112.7 ± 0.03°
• γ: 90°
• Cell volume: 5481 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No