Information card for entry 7214545

Structure parameters

• Common name: (Zn(bpdc-[NO2]2(dabco)(DMF))n
• Formula: C20 H10 N4 O9 Zn
• Calculated formula: C20 H10 N4 O9 Zn
• Title of publication: The influence of nitro groups on the topology and gas sorption property of extended Zn(ii)-paddlewheel MOFs
• Authors of publication: Dau, Phuong V.; Cohen, Seth M.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9304
• a: 13.758 ± 0.0011 Å
• b: 25.2156 ± 0.0018 Å
• c: 14.9205 ± 0.0011 Å
• α: 90°
• β: 111.399 ± 0.004°
• γ: 90°
• Cell volume: 4819.3 ± 0.6 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No