Information card for entry 7213889

Structure parameters

• Formula: C61 H53 Co2 N7 O19
• Calculated formula: C61 H53 Co2 N7 O19
• 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: 11.4985 ± 0.0003 Å
• b: 21.276 ± 0.0006 Å
• c: 21.4387 ± 0.0006 Å
• α: 77.071 ± 0.002°
• β: 80.672 ± 0.002°
• γ: 88.411 ± 0.002°
• Cell volume: 5044 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0756
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No