Information card for entry 4000679

Structure parameters

• Formula: C24 H16 N12 O24 Zn4
• Calculated formula: C24 H16 N12 O24 Zn4
• 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: 13.475 ± 0.003 Å
• b: 26.949 ± 0.005 Å
• c: 13.509 ± 0.003 Å
• α: 90°
• β: 95.18 ± 0.03°
• γ: 90°
• Cell volume: 4885.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0633
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.48595 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No