Information card for entry 7244150

Structure parameters

• Formula: C51.25 H105.75 Cd6 N7.75 O55.5
• Calculated formula: C48.55 H63.45 Cd6 N6.85 O36.6
• 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: 14.1081 ± 0.0001 Å
• b: 14.3068 ± 0.0002 Å
• c: 23.1617 ± 0.0003 Å
• α: 90°
• β: 90.945 ± 0.001°
• γ: 90°
• Cell volume: 4674.36 ± 0.1 ų
• Cell temperature: 220 ± 0.1 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No