Information card for entry 1548216

Structure parameters

• Formula: C24 H16 Cd N2 O4
• Calculated formula: C24 H16 Cd N2 O4
• Title of publication: Supramolecular-jack-like guest in ultramicroporous crystal for exceptional thermal expansion behaviour
• Authors of publication: Hao-Long Zhou; Yue-Biao Zhang; Jie-Peng Zhang; Xiao-Ming Chen
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 6917
• a: 10.3397 ± 0.0003 Å
• b: 15.6399 ± 0.0005 Å
• c: 14.9889 ± 0.0004 Å
• α: 90°
• β: 100.948 ± 0.003°
• γ: 90°
• Cell volume: 2379.77 ± 0.12 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No