Information card for entry 1561318

Structure parameters

• Formula: C46 H27 Cu3 N2 O13
• Calculated formula: C46 H27 Cu3 N2 O13
• Title of publication: A series of porous metal‒organic frameworks with hendecahedron cage: Structural variation and drug slow release properties
• Authors of publication: Wei, Lian-Qiang; Li, Yue; Mao, Li-Yuan; Chen, Qing; Lin, Ning
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2018
• Journal volume: 257
• Pages of publication: 58 - 63
• a: 19.5653 ± 0.0003 Å
• b: 19.5653 ± 0.0003 Å
• c: 60.4261 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23131.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No