Information card for entry 7042997

Structure parameters

• Formula: C46 H62 N2 O18 Zn4
• Calculated formula: C46 H62 N2 O18 Zn4
• Title of publication: Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.
• Authors of publication: Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.1341 ± 0.0004 Å
• b: 19.5931 ± 0.0011 Å
• c: 19.6981 ± 0.0013 Å
• α: 90°
• β: 90.564 ± 0.006°
• γ: 90°
• Cell volume: 2367.3 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No