Information card for entry 7225071

Structure parameters

• Formula: C20 H24 Cd N2 O5
• Calculated formula: C20 H22 Cd N2 O5
• Title of publication: Metal‒organic frameworks assembled from flexible alicyclic carboxylate and bipyridyl ligands for sensing of nitroaromatic explosives
• Authors of publication: Zhu, Xian-Dong; Li, Yong; Zhou, Wei-Xiang; Liu, Rong-Mei; Ding, Yu-Jie; Lü, Jian; Proserpio, Davide M.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 24
• Pages of publication: 4530
• a: 8.7092 ± 0.0007 Å
• b: 17.5095 ± 0.0015 Å
• c: 12.4774 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1902.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No