Information card for entry 4000678

Structure parameters

• Formula: C14 H11 N9 O6 Zn2
• Calculated formula: C14 H11 N9 O6 Zn2
• Title of publication: Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks
• Authors of publication: Hyunsoo Park; David M. Moureau; John B. Parise
• Journal of publication: Chem. Mater.
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 525 - 531
• a: 7.797 ± 0.0016 Å
• b: 10.047 ± 0.002 Å
• c: 13.577 ± 0.003 Å
• α: 110.18 ± 0.03°
• β: 105.46 ± 0.03°
• γ: 93.9 ± 0.03°
• Cell volume: 947 ± 0.3 ų
• Cell temperature: 103 ± 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: 0.0361
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.48595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No