Information card for entry 7036838

Structure parameters

• Formula: C58 H94 N7 O43 Sm3
• Calculated formula: C50 H36 N4 O23 Sm3
• 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: 38.3513 ± 0.0017 Å
• b: 38.3513 Å
• c: 38.3513 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 56408 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No