Information card for entry 7036840

Structure parameters

• Formula: C32 H33.75 N3.75 O10.75 Zn2
• Calculated formula: C25 H18 N2 O9 Zn2
• Title of publication: Combined Experimental and Simulation Study of Large Nanocage-based Metal-Organic Frameworks for Drug Delivery
• Authors of publication: Liu, Jian-Qiang; Li, X. F.; Gu, C. Y.; da Silva, Júlio C. S.; Barros, Amanda L.; Júnior, Severino Alves; Li, B. H.; Ren, Fei; Batten, Stuart R.; Soares, Thereza A.
• Journal of publication: Dalton Trans.
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19370 - 19382
• a: 27.4541 ± 0.0015 Å
• b: 27.4541 Å
• c: 9.7375 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7339.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No