Information card for entry 7236345

Structure parameters

• Formula: C41 H42 N6 O16 Zn2
• Calculated formula: C41 H40 N6 O16 Zn2
• Title of publication: An amino-decorated dual-functional metal‒organic framework for highly selective sensing of Cr(iii) and Cr(vi) ions and detection of nitroaromatic explosives
• Authors of publication: Lv, Rui; Wang, Jingyao; Zhang, Yanping; Li, Hui; Yang, Linyan; Liao, Shengyun; Gu, Wen; Liu, Xin
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2016
• Journal volume: 4
• Journal issue: 40
• Pages of publication: 15494
• a: 9.1422 ± 0.0018 Å
• b: 25.938 ± 0.005 Å
• c: 20.301 ± 0.004 Å
• α: 90°
• β: 101.89 ± 0.03°
• γ: 90°
• Cell volume: 4710.7 ± 1.7 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 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: 0.0625
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1506
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No