Information card for entry 7123540

Structure parameters

• Chemical name: as-flexMOF(OH)
• Formula: C86 H146 N26 Ni4 O26
• Calculated formula: C86 H144 N26 Ni4 O26
• 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: 15.21 ± 0.003 Å
• b: 15.65 ± 0.003 Å
• c: 17.099 ± 0.003 Å
• α: 82.34 ± 0.03°
• β: 65.07 ± 0.03°
• γ: 75.54 ± 0.03°
• Cell volume: 3572.2 ± 1.5 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.124
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No