Information card for entry 4121829

Structure parameters

• Common name: (NH4)2{HOOC(CH2)4COOH}[Zn2(C2O4)3](H2O)2
• Formula: C12 H22 N2 O18 Zn2
• Calculated formula: C12 N2 O18 Zn2
• Title of publication: Control of crystalline proton-conducting pathways by water-induced transformations of hydrogen-bonding networks in a metal-organic framework.
• Authors of publication: Sadakiyo, Masaaki; Yamada, Teppei; Honda, Kyohei; Matsui, Hiroshi; Kitagawa, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 21
• Pages of publication: 7701 - 7707
• a: 7.606 ± 0.007 Å
• b: 16.812 ± 0.014 Å
• c: 8.963 ± 0.007 Å
• α: 90°
• β: 104.019 ± 0.004°
• γ: 90°
• Cell volume: 1112 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No