Information card for entry 7208799

Structure parameters

• Formula: C50 H39 Cd N6 O7
• Calculated formula: C50 H39 Cd N6 O7
• 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: 9.0717 ± 0.0003 Å
• b: 9.5953 ± 0.0003 Å
• c: 24.5297 ± 0.0009 Å
• α: 79.486 ± 0.002°
• β: 85.167 ± 0.002°
• γ: 88.973 ± 0.002°
• Cell volume: 2091.88 ± 0.12 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: 0.0571
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No