Information card for entry 4106451

Structure parameters

• Common name: {H3N(CH2)4NH3}[Zn2(ox)3](H2O)2
• Formula: C10 H18 N2 O14 Zn2
• Calculated formula: C10 N2 O14 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: 6.722 ± 0.004 Å
• b: 8.897 ± 0.005 Å
• c: 9.501 ± 0.006 Å
• α: 62.779 ± 0.005°
• β: 88.615 ± 0.006°
• γ: 71.692 ± 0.005°
• Cell volume: 474.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No