Information card for entry 4504337

Structure parameters

• Formula: C9 H8 N3 O2 Zn
• Calculated formula: C9 H8 N3 O2 Zn
• Title of publication: Four Novel Three-Dimensional Triazole-Based Zinc(II) Metal−Organic Frameworks Controlled by the Spacers of Dicarboxylate Ligands: Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties
• Authors of publication: Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 2009
• a: 11.2054 ± 0.0018 Å
• b: 9.9383 ± 0.0016 Å
• c: 8.8327 ± 0.0014 Å
• α: 90°
• β: 92.627 ± 0.002°
• γ: 90°
• Cell volume: 982.6 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No