Information card for entry 7123538

Structure parameters

• Chemical name: cp-flexMOF(OH)
• Formula: C80 H132 N24 Ni4 O24
• Calculated formula: C80 H132 N24 Ni4 O24
• 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: 9.819 ± 0.003 Å
• b: 15.316 ± 0.003 Å
• c: 16.301 ± 0.003 Å
• α: 90.994 ± 0.01°
• β: 103.45 ± 0.007°
• γ: 90.421 ± 0.01°
• Cell volume: 2383.7 ± 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: 0.1226
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No