Information card for entry 7225072

Structure parameters

• Formula: C42 H48 Cd2 N4 O8
• Calculated formula: C42 H48 Cd2 N4 O8
• 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: 10.0056 ± 0.0005 Å
• b: 10.264 ± 0.0005 Å
• c: 22.7508 ± 0.001 Å
• α: 84.883 ± 0.004°
• β: 81.606 ± 0.004°
• γ: 63.403 ± 0.005°
• Cell volume: 2066.07 ± 0.19 ų
• Cell temperature: 100 ± 0.3 K
• Ambient diffraction temperature: 100 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No