Information card for entry 7238275

Structure parameters

• Common name: Ni2(2,6-ndc)2(dabco)-DUT-8(Ni)
• Formula: C30 H24 N2 Ni2 O8
• Calculated formula: C30.08 H24.16 N2 Ni2 O8
• Title of publication: Monitoring adsorption-induced switching by (129)Xe NMR spectroscopy in a new metal-organic framework Ni(2)(2,6-ndc)(2)(dabco).
• Authors of publication: Klein, Nicole; Herzog, Christin; Sabo, Michal; Senkovska, Irena; Getzschmann, Jürgen; Paasch, Silvia; Lohe, Martin R.; Brunner, Eike; Kaskel, Stefan
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 37
• Pages of publication: 11778 - 11784
• a: 18.4312 ± 0.0016 Å
• b: 18.4312 ± 0.0016 Å
• c: 9.3905 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3190 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Ambient diffracton pressure: 100 kPa
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.2418
• Residual factor for significantly intense reflections: 0.1546
• Weighted residual factors for significantly intense reflections: 0.3428
• Weighted residual factors for all reflections included in the refinement: 0.3858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No