Information card for entry 7229400

Structure parameters

• Formula: C42 H38 Cd3 N2 O21
• Calculated formula: C42 H20 Cd3 N2 O17
• Title of publication: A stable 3D Cd(ii) metal‒organic framework for highly sensitive detection of Cu2+ ions and nitroaromatic explosives
• Authors of publication: Du, Jian-Long; Gao, Ju-Ping; Li, Chao-Ping; Zhang, Xiao-Ying; Hou, Jin-Xin; Jing, Xu; Mu, Ya-Juan; Li, Li-Jun
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 78
• Pages of publication: 49618
• a: 17.038 ± 0.002 Å
• b: 20.632 ± 0.003 Å
• c: 29.069 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10219 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1678
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No