Information card for entry 7220129

Structure parameters

• Formula: C60 H49 Cu5.5 I2 N27 O5
• Calculated formula: C60 H49 Cu5.5 I2 N27 O5
• Title of publication: Metallo-supramolecular grid-type architectures for highly and selectively efficient adsorption of dyes in water
• Authors of publication: Qin, Xiao ting; zhang, guonan; gao, yanfei; liu, hou-ting; Du, Chunfang; Liu, Zhiliang
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 25.089 ± 0.002 Å
• b: 19.3049 ± 0.0014 Å
• c: 30.127 ± 0.003 Å
• α: 90°
• β: 113.501 ± 0.011°
• γ: 90°
• Cell volume: 13381 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.167
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.2648
• Weighted residual factors for all reflections included in the refinement: 0.3101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No