Information card for entry 7207912

Structure parameters

• Common name: ZnTBC
• Formula: C16 H8 N8 O6.3 Zn2
• Calculated formula: C16 H8 N8 O6.3 Zn2
• Title of publication: Kinetic hysteresis in gas adsorption behavior for a rigid MOF arising from zig-zag channel structures
• Authors of publication: Wei, Qiang; Yang, Dali; Larson, Toti Eric; Kinnibrugh, Tiffany L.; Zou, Ruqiang; Henson, Neil J.; Timofeeva, Tatiana; Xu, Hongwu; Zhao, Yusheng; Mattes, Benjamin R.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 20
• Pages of publication: 10166
• a: 6.791 ± 0.003 Å
• b: 9.604 ± 0.004 Å
• c: 17.722 ± 0.01 Å
• α: 101.826 ± 0.01°
• β: 96.5 ± 0.01°
• γ: 106.425 ± 0.007°
• Cell volume: 1067 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1311
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2687
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No