Information card for entry 4334429

Structure parameters

• Common name: Zinc nitroterephthalate
• Chemical name: Zinc nitroterephthalate
• Formula: C12 H24 N6 O12 Zn2
• Calculated formula: C10 N O8 Zn1.75
• Title of publication: Zn7O2(RCOO)10 Clusters and Nitro Aromatic Linkers in a Porous Metal-Organic Framework
• Authors of publication: Simon S. Iremonger; Ramanathan Vaidhyanathan; Roger K. Mah; George K. H. Shimizu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4124 - 4126
• a: 18.3609 ± 0.0008 Å
• b: 18.232 ± 0.0009 Å
• c: 14.1621 ± 0.0007 Å
• α: 90°
• β: 96.973 ± 0.004°
• γ: 90°
• Cell volume: 4705.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No