Information card for entry 4508886

Structure parameters

• Formula: C40 H66 Cd4 N12 O25
• Calculated formula: C40 H66 Cd4 N12 O25
• Title of publication: Encapsulation of Water Cluster,meso-Helical Chain and Tapes in Metal−Organic Frameworks Based on Double-Stranded Cd(II) Helicates and Carboxylates
• Authors of publication: Cheng, Lin; Lin, Jian-Bin; Gong, Jun-Zhou; Sun, Ai-Ping; Ye, Bao-Hui; Chen, Xiao-Ming
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2739
• a: 19.0544 ± 0.0011 Å
• b: 19.0544 ± 0.0011 Å
• c: 31.639 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11487.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c :2
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No