Information card for entry 4514404

Structure parameters

• Formula: C64.8 H39.73 Cl N4 Ni O21.33 Zr4
• Calculated formula: C64.8 H39.7333 Cl N4 Ni O21.3333 Zr4
• Title of publication: Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.
• Authors of publication: Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 25
• Pages of publication: 22390 - 22397
• a: 38.36 ± 0.003 Å
• b: 38.36 ± 0.003 Å
• c: 38.36 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 56446 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 229
• Hermann-Mauguin space group symbol: I m -3 m
• Hall space group symbol: -I 4 2 3
• Residual factor for all reflections: 0.1413
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.3037
• Weighted residual factors for all reflections included in the refinement: 0.3181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No