Information card for entry 7237119

Structure parameters

• Formula: C115 H155 N9 O53 Zr6
• Calculated formula: C86 H54 O32 Zr6
• Title of publication: An ultrastable Zr-MOF for fast capture and highly luminescence detection of Cr2O72− simultaneously in an aqueous phase
• Authors of publication: Sun, Xiaodong; Yao, Shuo; Yu, Chengyang; Li, Guanghua; Liu, Chunming; Huo, Qisheng; Liu, Yunling
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 6363
• a: 10.624 ± 0.002 Å
• b: 19.309 ± 0.004 Å
• c: 19.483 ± 0.004 Å
• α: 63.46 ± 0.03°
• β: 77.79 ± 0.03°
• γ: 83.38 ± 0.03°
• Cell volume: 3493.7 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No