Information card for entry 4511625

Structure parameters

• Formula: C13 H14 N2 O7 Zn2
• Calculated formula: C13 H14 N2 O7 Zn2
• Title of publication: Two Three-Dimensional Metal−Organic Frameworks from Secondary Building Units of Zn8(OH)4(O2C−)12and Zn2((OH)(O2C−)3: [Zn2(OH)(btc)]2(4,4‘-bipy) and Zn2(OH)(btc)(pipe)
• Authors of publication: Shi, Zhan; Li, Guanghua; Wang, Lei; Gao, Lu; Chen, Xiaobo; Hua, Jia; Feng, Shouhua
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 25
• a: 8.3595 ± 0.0002 Å
• b: 11.3634 ± 0.0003 Å
• c: 16.3161 ± 0.0005 Å
• α: 90°
• β: 102.265 ± 0.002°
• γ: 90°
• Cell volume: 1514.53 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No