Information card for entry 4508887

Structure parameters

• Formula: C64 H106 Cd4 N24 O37
• Calculated formula: C64 H106 Cd4 N24 O37
• 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: 16.033 ± 0.002 Å
• b: 16.744 ± 0.002 Å
• c: 20.286 ± 0.003 Å
• α: 68.747 ± 0.002°
• β: 66.944 ± 0.002°
• γ: 63.282 ± 0.002°
• Cell volume: 4359.2 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1314
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No