Information card for entry 1513606

Structure parameters

• Formula: C126 H84 La3 N3 O21
• Calculated formula: C126 H84 La3 N3 O21
• Title of publication: High CO2/N2/O2/CO separation in a chemically robust porous coordination polymer with low binding energy
• Authors of publication: Duan, Jingui; Higuchi, Masakazu; Krishna, Rajamani; Kiyonaga, Tomokazu; Tsutsumi, Yosuke; Sato, Yohei; Kubota, Yoshiki; Takata, Masaki; Kitagawa, Susumu
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 660
• a: 34.2658 ± 0.0014 Å
• b: 34.2658 ± 0.0014 Å
• c: 21.8681 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22236.3 ± 1.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.2573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No