Information card for entry 4106450

Structure parameters

• Common name: {H3N(CH2)4NH3}[Zn2(ox)3](H2O)6
• Formula: C10 H26 N2 O18 Zn2
• Calculated formula: C10 H26 N2 O18 Zn2
• Title of publication: Hydroxyl Group Recognition by Hydrogen-Bonding Donor and Acceptor Sites Embedded in a Layered Metal-Organic Framework
• Authors of publication: Masaaki Sadakiyo; Teppei Yamada; Hiroshi Kitagawa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 11050 - 11053
• a: 8.3007 ± 0.0008 Å
• b: 15.6603 ± 0.0014 Å
• c: 9.3885 ± 0.0009 Å
• α: 90°
• β: 114.592 ± 0.001°
• γ: 90°
• Cell volume: 1109.73 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0169
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No