Information card for entry 7236389

Structure parameters

• Formula: C24 H17 Al3 N3 O17.5
• Calculated formula: C24 H14.0001 Al3 N3 O17.5
• Title of publication: Metal‒organic frameworks to satisfy gas upgrading demands: fine-tuning thesoc-MOF platform for the operative removal of H2S
• Authors of publication: Belmabkhout, Youssef; Pillai, Renjith S.; Alezi, Dalal; Shekhah, Osama; Bhatt, Prashant M.; Chen, Zhijie; Adil, Karim; Vaesen, Sebastien; De Weireld, Guy; Pang, Maolin; Suetin, Mikhail; Cairns, Amy J.; Solovyeva, Vera; Shkurenko, Aleksander; El Tall, Omar; Maurin, Guillaume; Eddaoudi, Mohamed
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 3293
• a: 21.4934 ± 0.0005 Å
• b: 21.4934 ± 0.0005 Å
• c: 21.4934 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9929.2 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No