Information card for entry 7201824

Structure parameters

• Formula: C16 H12 Cd N2 O4
• Calculated formula: C16 H12 Cd N2 O4
• Title of publication: Designed self-assembly of a reactive metal‒organic framework with quasi α-Po topology
• Authors of publication: Michaelides, Adonis; Skoulika, Stavroula; Siskos, Michael G.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 817
• a: 9.105 ± 0.001 Å
• b: 12.948 ± 0.001 Å
• c: 13.991 ± 0.002 Å
• α: 90°
• β: 91.51 ± 0.01°
• γ: 90°
• Cell volume: 1648.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No