Information card for entry 7042719

Structure parameters

• Formula: C64 H26 Cd9 O52
• Calculated formula: C64 H26 Cd9 O52
• Title of publication: Assembling hierarchical metal-oxygen building units with a semirigid tetracarboxylate ligand to a three-dimensional framework for nitrobenzene sensing
• Authors of publication: Song, Xuezhi; Gao, Liguo; Wang, Yuxiang; Chen, Xiaolei; Qiao, Liang; Tan, Zhenquan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.6728 ± 0.0016 Å
• b: 14.952 ± 0.0019 Å
• c: 25.04 ± 0.006 Å
• α: 90.772 ± 0.009°
• β: 95.147 ± 0.01°
• γ: 101.478 ± 0.005°
• Cell volume: 3898.2 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No