Information card for entry 7244149

Structure parameters

• Formula: C10 H17 N O12 Zn2
• Calculated formula: C10 H13 N O12 Zn2
• 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: 7.4213 ± 0.0003 Å
• b: 19.3205 ± 0.0006 Å
• c: 10.8081 ± 0.0004 Å
• α: 90°
• β: 96.871 ± 0.003°
• γ: 90°
• Cell volume: 1538.57 ± 0.1 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No