Information card for entry 7037055

Structure parameters

• Chemical name: DPe-DMOF(Zn)
• Formula: C21 H30 N O6 Zn
• Calculated formula: C21 H24 N O6 Zn
• Title of publication: Mixed-linker solid solutions of functionalized pillared-layer MOFs - adjusting structural flexibility, gas sorption, and thermal responsiveness.
• Authors of publication: Schwedler, Inke; Henke, Sebastian; Wharmby, Michael T.; Bajpe, Sneha R.; Cheetham, Anthony K.; Fischer, Roland A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4230 - 4241
• a: 15.43134 ± 0.00014 Å
• b: 15.43134 ± 0.00014 Å
• c: 19.2746 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4589.79 ± 0.09 ų
• Cell temperature: 300 ± 3 K
• Ambient diffraction temperature: 300 ± 3 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No