Information card for entry 4518179

Structure parameters

• Formula: C6 H4.75 La N7 O5.38
• Calculated formula: C6 H4.7496 La N7 O5.3748
• Title of publication: A Rational Design of Microporous Nitrogen-Rich Lanthanide Metal‒Organic Frameworks for CO2/CH4 Separation
• Authors of publication: Mohan, Midhun; Essalhi, Mohamed; Durette, David; Rana, Love Karan; Ayevide, Follivi Kloutse; Maris, Thierry; Duong, Adam
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2020
• a: 8.7522 ± 0.0002 Å
• b: 8.7522 ± 0.0002 Å
• c: 20.2393 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.35 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No