Information card for entry 7055119

Structure parameters

• Chemical name: Zn2(L)(oba)2?2DMF?2H2O
• Formula: C52 H48 N6 O16 Zn2
• Calculated formula: C49 H37 N5 O13 Zn2
• Title of publication: A novel 3-fold interpenetration metal‒organic framework with tunable luminescence and selective adsorption of CO2properties
• Authors of publication: Lin, Rong-Guang; Cao, Gao-Juan; Lin, Jian-Di; Wang, Yu-Lin
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9075
• a: 14.574 ± 0.0007 Å
• b: 23.5585 ± 0.0011 Å
• c: 15.4557 ± 0.0007 Å
• α: 90°
• β: 110.801 ± 0.003°
• γ: 90°
• Cell volume: 4960.7 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No