Information card for entry 7206729

Structure parameters

• Formula: C18 H21 Cd N5 O9
• Calculated formula: C18 H17 Cd N5 O9
• Title of publication: Self-assembly of metal‒organic frameworks: From packing helical channels to 2-fold interpenetration helical layers
• Authors of publication: Li, Xing; Bing, Yue; Zha, Mei-Qin; Liang, Yun-Xiao; Pan, Jian-Guo; Wang, Dong-Jie
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 6373
• a: 10.5156 ± 0.0015 Å
• b: 9.3977 ± 0.0013 Å
• c: 23.034 ± 0.003 Å
• α: 90°
• β: 99.967 ± 0.002°
• γ: 90°
• Cell volume: 2241.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No