Information card for entry 7208797

Structure parameters

• Formula: C49 H36 Cd2 N6 O12
• Calculated formula: C49 H36 Cd2 N6 O12
• Title of publication: Three new acylamide ligands formed in situ and their application in constructing metal‒organic frameworks
• Authors of publication: Xu, Wen-yuan; Tian, Xiao-zhao; Feng, Xue-feng; Huang, Hai-xiao; Sun, Gong-ming; Song, Yu-mei; Luo, Feng
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 8418
• a: 10.2262 ± 0.0004 Å
• b: 12.7262 ± 0.0005 Å
• c: 18.4057 ± 0.0007 Å
• α: 108.983 ± 0.002°
• β: 93.755 ± 0.002°
• γ: 97.731 ± 0.002°
• Cell volume: 2229.16 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0348
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No