Information card for entry 7213892

Structure parameters

• Formula: C55 H41 Cd2 N5 O20
• Calculated formula: C55 H41 Cd2 N5 O20
• Title of publication: Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid
• Authors of publication: Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 834
• a: 15.1796 ± 0.0007 Å
• b: 15.6453 ± 0.0005 Å
• c: 16.984 ± 0.0015 Å
• α: 90°
• β: 119.218 ± 0.005°
• γ: 90°
• Cell volume: 3520.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.2622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No