Information card for entry 4504440

Structure parameters

• Formula: C36 H43 N4 Ni2 O17.5
• Calculated formula: C36 H42 N4 Ni2 O17.5
• Title of publication: A Dynamic Microporous Metal‒Organic Framework with BCT Zeolite Topology: Construction, Structure, and Adsorption Behavior
• Authors of publication: Hu, Sheng; Zhang, Jie-Peng; Li, Hao-Xiang; Tong, Ming-Liang; Chen, Xiao-Ming; Kitagawa, Susumu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 2286
• a: 14.8904 ± 0.0012 Å
• b: 28.226 ± 0.002 Å
• c: 9.9562 ± 0.0009 Å
• α: 90°
• β: 106.306 ± 0.002°
• γ: 90°
• Cell volume: 4016.2 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.1746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No