Information card for entry 4118373

Structure parameters

• Formula: C3 H7 N O6 Zn
• Calculated formula: C3 H6.34 N O6 Zn
• Title of publication: Negative Linear Compressibility of a Metal-Organic Framework
• Authors of publication: Wei Li; Michael R. Probert; Monica Kosa; Thomas D. Bennett; A. Thirumurugan; Ryan P. Burwood; Michele Parinello; Judith A. K. Howard; Anthony K. Cheetham
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 11940 - 11943
• a: 7.272 ± 0.0008 Å
• b: 7.272 ± 0.0008 Å
• c: 8.1678 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 374.06 ± 0.07 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• Space group number: 182
• Hermann-Mauguin space group symbol: P 63 2 2
• Hall space group symbol: P 6c 2c
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No