Information card for entry 7208632

Structure parameters

• Formula: C16 H17 N7 O3 Zn
• Calculated formula: C16 H17 N7 O3 Zn
• Title of publication: Guest selectivity of a porous tetrahedral imidazolate framework material during self-assembly
• Authors of publication: Wang, Fei; Yang, Hui; Kang, Yao; Zhang, Jian
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 37
• Pages of publication: 19732
• a: 18.4474 ± 0.0007 Å
• b: 10.6981 ± 0.0006 Å
• c: 8.9454 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.39 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No