Information card for entry 7113063

Structure parameters

• Formula: C9 H6 N O4 Zn
• Calculated formula: C9 H6 N O4 Zn
• Title of publication: Direct structure elucidation by powder X-ray diffraction of a metal-organic framework material prepared by solvent-free grinding.
• Authors of publication: Fujii, Kotaro; Lazuen Garay, Ana; Hill, Janeen; Sbircea, Elena; Pan, Zhigang; Xu, Mingcan; Apperley, David C.; James, Stuart L.; Harris, Kenneth D. M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 40
• Pages of publication: 7572 - 7574
• a: 13.3226 ± 0.0008 Å
• b: 11.3815 ± 0.0005 Å
• c: 13.9942 ± 0.0008 Å
• α: 90°
• β: 105.746 ± 0.005°
• γ: 90°
• Cell volume: 2042.3 ± 0.2 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• RFsqd: 0.23574
• Goodness-of-fit parameter for all reflections: 1.91
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No