Information card for entry 7206024

Structure parameters

• Formula: C13 H9 N2 O6.5 Zn
• Calculated formula: C13 H9 N2 O6.5 Zn
• Title of publication: Solvent and temperature influence structural variation from nonporous 2D →3D parallel polycatenation to 3D microporous metal‒organic framework
• Authors of publication: Yang, Ming; Jiang, Feilong; Chen, Qihui; Zhou, Youfu; Feng, Rui; Xiong, Kecai; Hong, Maochun
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3971
• a: 8.233 ± 0.0016 Å
• b: 9.1285 ± 0.0016 Å
• c: 10.792 ± 0.0016 Å
• α: 97.51 ± 0.003°
• β: 103.711 ± 0.005°
• γ: 112.582 ± 0.006°
• Cell volume: 705 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No