Information card for entry 4504312

Structure parameters

• Formula: C2 H2 Cl N4 Zn
• Calculated formula: C2 H2 Cl N4 Zn
• Title of publication: Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System
• Authors of publication: Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1343
• a: 9.3888 ± 0.0014 Å
• b: 10.1152 ± 0.0014 Å
• c: 11.571 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1098.9 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No