Information card for entry 4514348

Structure parameters

• Formula: C56.67 H24 N O28.67 Zr4
• Calculated formula: C56.6666 H24 N O28.6665 Zr4
• Title of publication: New Metal-Organic Frameworks for Chemical Fixation of CO2.
• Authors of publication: Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 733 - 744
• a: 32.2282 ± 0.0014 Å
• b: 32.2282 ± 0.0014 Å
• c: 26.548 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 23880 ± 1.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1775
• Residual factor for significantly intense reflections: 0.1554
• Weighted residual factors for significantly intense reflections: 0.4612
• Weighted residual factors for all reflections included in the refinement: 0.4922
• Goodness-of-fit parameter for all reflections included in the refinement: 2.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No