Information card for entry 4313608

Structure parameters

• Chemical name: [Zn(4)2(H2O)2](NO3)2
• Formula: C30 H28 N14 O8 Zn
• Calculated formula: C30 H28 N14 O8 Zn
• Title of publication: Novel Metal-Organic Frameworks with Specific Topology from New Tripodal Ligands: 1,3,5-Tris(1-imidazolyl)benzene and 1,3-Bis(1-imidazolyl)-5-(imidazol-1-ylmethyl)benzene
• Authors of publication: Jian Fan; Wei-Yin Sun; Taka-aki Okamura; Wen-Xia Tang; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3168 - 3175
• a: 10.5699 ± 0.0003 Å
• b: 11.5037 ± 0.0003 Å
• c: 13.5194 ± 0.0004 Å
• α: 90°
• β: 110.278 ± 0.001°
• γ: 90°
• Cell volume: 1541.98 ± 0.08 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0443
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No