Information card for entry 7123542

Structure parameters

• Chemical name: as-flexMOF(CH2)
• Formula: C48 H72 N14 Ni2 O8
• Calculated formula: C48 H72 N14 Ni2 O8
• 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: 12.92 ± 0.003 Å
• b: 32.634 ± 0.007 Å
• c: 15.617 ± 0.003 Å
• α: 90°
• β: 105.16 ± 0.03°
• γ: 90°
• Cell volume: 6355 ± 3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2657
• Weighted residual factors for all reflections included in the refinement: 0.2778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No