Information card for entry 4513991

Structure parameters

• Common name: Cu-NTTA
• Formula: C90 H73.5 Cu6 N8 O42.75
• Calculated formula: C90 H44.9256 Cu6 N8 O42.75
• Title of publication: New rht-Type Metal-Organic Frameworks Decorated with Acylamide Groups for Efficient Carbon Dioxide Capture and Chemical Fixation from Raw Power Plant Flue Gas.
• Authors of publication: Guo, Xiangyang; Zhou, Zhen; Chen, Cong; Bai, Junfeng; He, Cheng; Duan, Chunying
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 46
• Pages of publication: 31746 - 31756
• a: 48.8272 ± 0.0008 Å
• b: 48.8272 ± 0.0008 Å
• c: 48.8272 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 116409 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2217
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No