Information card for entry 7002180

Structure parameters

• Formula: C480 H400 Cd24 N80 O160
• Calculated formula: C480 H400 Cd24 N80 O160
• Title of publication: A novel 3D Cd(ii) metal‒organic framework with an unprecedented (5,6)-connected topology based on isophthalate and 2-(3-pyridyl)imidazo[4,5-f]1,10-phenanthroline
• Authors of publication: Wang, Xiuli; Liu, Guocheng; Zhang, Jinxia; Chen, Yongqiang; Lin, Hongyan; Zheng, Wenyan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 36
• Pages of publication: 7347 - 7349
• a: 17.0131 ± 0.0006 Å
• b: 13.5953 ± 0.0005 Å
• c: 51.887 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12001.4 ± 0.8 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No