Information card for entry 7244143

Structure parameters

• Formula: C20 H20 Cd2 N2 O15
• Calculated formula: C20 H20 Cd2 N2 O15
• Title of publication: Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker
• Authors of publication: Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 863 - 876
• a: 13.7701 ± 0.0004 Å
• b: 11.51 ± 0.0003 Å
• c: 29.1745 ± 0.0007 Å
• α: 90°
• β: 90.088 ± 0.002°
• γ: 90°
• Cell volume: 4624 ± 0.2 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No