Information card for entry 4504314

Structure parameters

• Formula: C12 H30 N26 O13.98 Zn5
• Calculated formula: C12 H30 N26 O13.98 Zn5
• 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: 15.0448 ± 0.0006 Å
• b: 15.0448 ± 0.0006 Å
• c: 15.0448 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3405.3 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No