Information card for entry 7123539

Structure parameters

• Chemical name: cp-flexMOF(CH2)
• Formula: C88 H132 N24 Ni4 O16
• Calculated formula: C88 H132 N24 Ni4 O16
• Title of publication: Tuning of the flexibility in metal-organic frameworks based on pendant arm macrocycles
• Authors of publication: Jeoung, Sungeun; Lee, Songho; Lee, Jae Hwa; Lee, Soochan; Choe, Wonyoung; Moon, Dohyun; Moon, Hoi Ri
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.829 ± 0.003 Å
• b: 14.867 ± 0.003 Å
• c: 16.595 ± 0.004 Å
• α: 90.112 ± 0.007°
• β: 78.434 ± 0.01°
• γ: 87.888 ± 0.01°
• Cell volume: 2374 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1622
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No